smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(OC)cc21 ZINC000082509418 178075913 /nfs/dbraw/zinc/07/59/13/178075913.db2.gz BYDJLRRDUCFBIS-CQSZACIVSA-N 2 0 276.380 2.203 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042504 361891203 /nfs/dbraw/zinc/89/12/03/361891203.db2.gz PEYWGOMEIDOGFQ-SMDDNHRTSA-N 2 0 263.385 2.060 10 0 CEAERP CC[NH+](CC)[C@@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040513 361984759 /nfs/dbraw/zinc/98/47/59/361984759.db2.gz QDYWHFMGXPJCDZ-KRWDZBQOSA-N 2 0 275.440 2.411 10 0 CEAERP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)[C@H]1C ZINC000725264162 539212683 /nfs/dbraw/zinc/21/26/83/539212683.db2.gz DVYKWJNVEOSJPA-XJFOESAGSA-N 2 0 252.402 2.003 10 0 CEAERP CN(Cc1cncc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000621775815 349697785 /nfs/dbraw/zinc/69/77/85/349697785.db2.gz ZOTUJSWWSBLYQT-CYBMUJFWSA-N 2 0 253.777 2.309 10 0 CEAERP Nc1nccc(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000128262723 344335414 /nfs/dbraw/zinc/33/54/14/344335414.db2.gz KHDNZZFBIJGVER-UHFFFAOYSA-N 2 0 283.379 2.135 10 0 CEAERP FC(F)(F)[C@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000220942705 344538976 /nfs/dbraw/zinc/53/89/76/344538976.db2.gz CAFKLPQYVVPXHJ-LBPRGKRZSA-N 2 0 258.287 2.270 10 0 CEAERP COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659157 344735235 /nfs/dbraw/zinc/73/52/35/344735235.db2.gz NOPHYFBESMBDDB-ZBINZKHDSA-N 2 0 264.344 2.003 10 0 CEAERP C[C@@H](C[NH3+])CN1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000085025407 178943298 /nfs/dbraw/zinc/94/32/98/178943298.db2.gz WBVVIQOOYGDATC-XUWVNRHRSA-N 2 0 267.461 2.024 10 0 CEAERP C[C@@H]([NH3+])c1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000094999636 136515385 /nfs/dbraw/zinc/51/53/85/136515385.db2.gz GEQNOXRBYNCRGI-CQSZACIVSA-N 2 0 288.439 2.414 10 0 CEAERP CCC1(C)CC[NH+](CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302897 179011480 /nfs/dbraw/zinc/01/14/80/179011480.db2.gz CLOPJIWHKQXVBH-HNNXBMFYSA-N 2 0 256.434 2.379 10 0 CEAERP CC(C)Cc1nc2c(n1C[C@@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572755 179097568 /nfs/dbraw/zinc/09/75/68/179097568.db2.gz PCZNTVYKJAQALI-CQSZACIVSA-N 2 0 290.455 2.069 10 0 CEAERP CCCc1nc2c(n1CC[N@H+](C)C1CCCC1)CC[NH2+]C2 ZINC000085571691 179096893 /nfs/dbraw/zinc/09/68/93/179096893.db2.gz IOUVULJCUPOEFH-UHFFFAOYSA-N 2 0 290.455 2.356 10 0 CEAERP C[C@H](Cn1c2c(nc1C1CC1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000085573445 179098323 /nfs/dbraw/zinc/09/83/23/179098323.db2.gz RYAFVHXEBFPRLO-CYBMUJFWSA-N 2 0 288.439 2.281 10 0 CEAERP C[NH+](C)CCCCN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086146702 179238679 /nfs/dbraw/zinc/23/86/79/179238679.db2.gz WYZWHCMNZPKWDZ-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171851 179243846 /nfs/dbraw/zinc/24/38/46/179243846.db2.gz JQFLXVCVTCLRTR-NCOADZHNSA-N 2 0 281.488 2.283 10 0 CEAERP CC(C)[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086173279 179244863 /nfs/dbraw/zinc/24/48/63/179244863.db2.gz DRXWRKFYOQSAFA-JYJNAYRXSA-N 2 0 269.477 2.281 10 0 CEAERP C1CC1[N@@H+]1CC[C@@H](N2CC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086145991 179239131 /nfs/dbraw/zinc/23/91/31/179239131.db2.gz GFYDQGPBTCNKRR-IAGOWNOFSA-N 2 0 277.456 2.077 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182552 179248061 /nfs/dbraw/zinc/24/80/61/179248061.db2.gz DHIDTUDNBXPRNN-ARFHVFGLSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086223186 179252004 /nfs/dbraw/zinc/25/20/04/179252004.db2.gz JULHOFGPJNXNKC-NXHRZFHOSA-N 2 0 287.451 2.363 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223121 179252555 /nfs/dbraw/zinc/25/25/55/179252555.db2.gz WYGSVBKYWMXQJS-ZMSDIMECSA-N 2 0 279.472 2.181 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1C[C@H](c2ccccc2)[NH2+]C[C@@H]1C ZINC000086227525 179254368 /nfs/dbraw/zinc/25/43/68/179254368.db2.gz GYVDGJGFQGKDJA-YQQAZPJKSA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@](C)(C3CC3)NC[C@@H]2C)CC1 ZINC000086259142 179258747 /nfs/dbraw/zinc/25/87/47/179258747.db2.gz PQSUMEWGLQZYQA-WMLDXEAASA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260779 179260095 /nfs/dbraw/zinc/26/00/95/179260095.db2.gz UARYKCVBDKFTEL-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288917 179264740 /nfs/dbraw/zinc/26/47/40/179264740.db2.gz GHIJUHAMVRKGED-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP C[C@H]([C@H]1CCCO1)[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287105 179264930 /nfs/dbraw/zinc/26/49/30/179264930.db2.gz ZJVFJQJVDIADGF-MCIONIFRSA-N 2 0 254.418 2.264 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259246 179257494 /nfs/dbraw/zinc/25/74/94/179257494.db2.gz LXLGKFONZYDIKD-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCCN[C@@H](c2ccccc2)C1 ZINC000086293318 179266640 /nfs/dbraw/zinc/26/66/40/179266640.db2.gz CTNONUQHTWWCJL-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086291609 179266862 /nfs/dbraw/zinc/26/68/62/179266862.db2.gz FGUJEBTYRXNOAC-CABCVRRESA-N 2 0 267.461 2.038 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443981 179293537 /nfs/dbraw/zinc/29/35/37/179293537.db2.gz DIGZSRFXYXDEJH-QWRGUYRKSA-N 2 0 280.441 2.010 10 0 CEAERP CC[NH2+][C@@H]1CCCc2sc(N3CC[C@H]([NH+](C)C)C3)nc21 ZINC000086444076 179293877 /nfs/dbraw/zinc/29/38/77/179293877.db2.gz YEGVHOSSEHQTKN-NWDGAFQWSA-N 2 0 294.468 2.270 10 0 CEAERP C[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000086467135 179296797 /nfs/dbraw/zinc/29/67/97/179296797.db2.gz FASLWRLKEPSYQY-HOTGVXAUSA-N 2 0 287.451 2.333 10 0 CEAERP CC(C)CN(CC(C)C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819344 179348067 /nfs/dbraw/zinc/34/80/67/179348067.db2.gz PMVJAMRQDSHAIE-MRXNPFEDSA-N 2 0 269.477 2.414 10 0 CEAERP C[NH+](C)C1(CN[C@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC000086817203 179344617 /nfs/dbraw/zinc/34/46/17/179344617.db2.gz QKXMHQGMQZYDCW-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848642 179356793 /nfs/dbraw/zinc/35/67/93/179356793.db2.gz PCUROJWEBJUUQW-MRXNPFEDSA-N 2 0 267.461 2.453 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](C(C)C)CC2)CC1 ZINC000086836806 179351050 /nfs/dbraw/zinc/35/10/50/179351050.db2.gz ZMTFEOQTFABIKN-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836298 179351558 /nfs/dbraw/zinc/35/15/58/179351558.db2.gz NWJXXSYMHHMLRE-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836992 179351861 /nfs/dbraw/zinc/35/18/61/179351861.db2.gz HTEVZLVYTRMVDI-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)CC1 ZINC000086837778 179352010 /nfs/dbraw/zinc/35/20/10/179352010.db2.gz DQWMZTQZZODPIZ-HOTGVXAUSA-N 2 0 297.487 2.343 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843819 179352926 /nfs/dbraw/zinc/35/29/26/179352926.db2.gz VECHIAPVTCUARQ-HNNXBMFYSA-N 2 0 264.417 2.115 10 0 CEAERP CC(C)[C@H](CN(C)C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842879 179353084 /nfs/dbraw/zinc/35/30/84/179353084.db2.gz BZFFZXPRRGSJGU-CVEARBPZSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000086842315 179353292 /nfs/dbraw/zinc/35/32/92/179353292.db2.gz SRJSQNZLWDPCTA-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842124 179353825 /nfs/dbraw/zinc/35/38/25/179353825.db2.gz FEIHAOBTFBMJCY-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846274 179354629 /nfs/dbraw/zinc/35/46/29/179354629.db2.gz MJSDICDNMCXQEN-HNNXBMFYSA-N 2 0 253.434 2.066 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851081 179359742 /nfs/dbraw/zinc/35/97/42/179359742.db2.gz AQCATMUGYGMCEI-GDBMZVCRSA-N 3 0 267.461 2.309 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851079 179359931 /nfs/dbraw/zinc/35/99/31/179359931.db2.gz AQCATMUGYGMCEI-ZBFHGGJFSA-N 3 0 267.461 2.309 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)C2CC[NH+](C)CC2)CC1 ZINC000086890426 179366540 /nfs/dbraw/zinc/36/65/40/179366540.db2.gz RTTCKBCRXJABBH-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086904718 179367284 /nfs/dbraw/zinc/36/72/84/179367284.db2.gz JOZWXKHIQIUXLA-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018108 179380367 /nfs/dbraw/zinc/38/03/67/179380367.db2.gz PPWQCICHAGPNFX-AWEZNQCLSA-N 2 0 254.418 2.146 10 0 CEAERP C[NH+](C)CCC[NH2+]CCOCc1ccc(Cl)cc1 ZINC000087096753 179394449 /nfs/dbraw/zinc/39/44/49/179394449.db2.gz LOSOTVIWFALZAL-UHFFFAOYSA-N 2 0 270.804 2.398 10 0 CEAERP CC[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000087518070 179438870 /nfs/dbraw/zinc/43/88/70/179438870.db2.gz XDIHPCSKSCCRPE-CQSZACIVSA-N 2 0 275.396 2.206 10 0 CEAERP CC(C)[C@@H]([C@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104198128 185927048 /nfs/dbraw/zinc/92/70/48/185927048.db2.gz FEOJUFUVTMGMAJ-CVEARBPZSA-N 2 0 263.429 2.204 10 0 CEAERP Cc1ncsc1C[NH2+]C[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089402827 179781639 /nfs/dbraw/zinc/78/16/39/179781639.db2.gz JOVQNIDXDHTOBZ-VXGBXAGGSA-N 2 0 253.415 2.306 10 0 CEAERP CC(C)C[NH2+]Cc1cncn1[C@H](C)CC[NH+](C)C ZINC000090241561 179939348 /nfs/dbraw/zinc/93/93/48/179939348.db2.gz PSHBHVGLZJSFGD-CYBMUJFWSA-N 2 0 252.406 2.141 10 0 CEAERP CCC[NH2+]CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000104420041 185994660 /nfs/dbraw/zinc/99/46/60/185994660.db2.gz OGTOEQAUFFVHCK-UHFFFAOYSA-N 2 0 251.374 2.195 10 0 CEAERP CC(C)(C)[C@H]1CCCC[C@@H]1[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308134 179954866 /nfs/dbraw/zinc/95/48/66/179954866.db2.gz JYKSPRLMMFIEMA-HOTGVXAUSA-N 2 0 279.472 2.181 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566058 180005836 /nfs/dbraw/zinc/00/58/36/180005836.db2.gz WEQWSSBVHFYNRC-LXTVHRRPSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090873637 180049720 /nfs/dbraw/zinc/04/97/20/180049720.db2.gz YYUICAIJIPQECY-XJKSGUPXSA-N 2 0 274.408 2.310 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893529 180055108 /nfs/dbraw/zinc/05/51/08/180055108.db2.gz AFUUHTJRMLKWSQ-INIZCTEOSA-N 2 0 292.398 2.451 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)O2 ZINC000090897792 180057110 /nfs/dbraw/zinc/05/71/10/180057110.db2.gz JKFXVVHYAHRGNL-GDBMZVCRSA-N 2 0 274.408 2.230 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)O2 ZINC000090897793 180057218 /nfs/dbraw/zinc/05/72/18/180057218.db2.gz JKFXVVHYAHRGNL-ZBFHGGJFSA-N 2 0 274.408 2.230 10 0 CEAERP CC1([NH2+]Cc2csc(CC[NH3+])n2)CCCCC1 ZINC000090958431 180074771 /nfs/dbraw/zinc/07/47/71/180074771.db2.gz VULFHFUEJRTQNF-UHFFFAOYSA-N 2 0 253.415 2.457 10 0 CEAERP CC(C)CN(CC[NH+](C)C)Cc1csc([C@@H](C)[NH3+])n1 ZINC000090958365 180074839 /nfs/dbraw/zinc/07/48/39/180074839.db2.gz SOVTVSSXUAOPPU-GFCCVEGCSA-N 2 0 284.473 2.182 10 0 CEAERP c1[nH]c2ncccc2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000091017014 180086882 /nfs/dbraw/zinc/08/68/82/180086882.db2.gz FCHSKCOSKKLJKG-LBPRGKRZSA-N 2 0 270.380 2.137 10 0 CEAERP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019708 180088292 /nfs/dbraw/zinc/08/82/92/180088292.db2.gz ZIKCNQZROGGSMR-CYBMUJFWSA-N 2 0 258.369 2.266 10 0 CEAERP CCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275381 180118779 /nfs/dbraw/zinc/11/87/79/180118779.db2.gz GMNOQZIMECXUNW-IUODEOHRSA-N 2 0 262.401 2.340 10 0 CEAERP C[N@@H+](CCc1ccccc1)CC[C@@H]1CSCC[NH2+]1 ZINC000091292362 180123736 /nfs/dbraw/zinc/12/37/36/180123736.db2.gz NDAKKAVIUWBLFW-OAHLLOKOSA-N 2 0 264.438 2.256 10 0 CEAERP CC(C)CC[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091429130 180153235 /nfs/dbraw/zinc/15/32/35/180153235.db2.gz WJVWSYRVVNUJSK-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091449725 180158003 /nfs/dbraw/zinc/15/80/03/180158003.db2.gz QUNSXCGWSDFTRD-DLBZAZTESA-N 2 0 275.440 2.411 10 0 CEAERP CCC[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091467549 180164157 /nfs/dbraw/zinc/16/41/57/180164157.db2.gz FQWSWZDQIIBPKB-HZPDHXFCSA-N 2 0 262.397 2.014 10 0 CEAERP CC(C)C[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091502886 180175294 /nfs/dbraw/zinc/17/52/94/180175294.db2.gz FRZQLRHBESJHID-SJORKVTESA-N 2 0 276.424 2.260 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCCC1 ZINC000091499232 180174192 /nfs/dbraw/zinc/17/41/92/180174192.db2.gz QWHHSMRASSPTSP-UHFFFAOYSA-N 2 0 282.472 2.495 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091395748 180146072 /nfs/dbraw/zinc/14/60/72/180146072.db2.gz WELKXJMOPYUNLS-JSGCOSHPSA-N 2 0 281.469 2.336 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000091404606 180146864 /nfs/dbraw/zinc/14/68/64/180146864.db2.gz QHAMLCMGLLNKFM-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C(C)C)CC1 ZINC000091402941 180147297 /nfs/dbraw/zinc/14/72/97/180147297.db2.gz PTYATVZFWNQUPQ-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000091404611 180147610 /nfs/dbraw/zinc/14/76/10/180147610.db2.gz KRRZZQQVMCAAHJ-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091427488 180152100 /nfs/dbraw/zinc/15/21/00/180152100.db2.gz WKWABUWXLLQTKZ-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP CCC[NH2+][C@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCC1 ZINC000091536107 180182480 /nfs/dbraw/zinc/18/24/80/180182480.db2.gz ALJMSAAYYQOPRA-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000091715747 180232374 /nfs/dbraw/zinc/23/23/74/180232374.db2.gz LIMBDYYNSAQMOU-CYBMUJFWSA-N 2 0 274.412 2.175 10 0 CEAERP CCn1nc(C)cc1C[C@@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716186 180232681 /nfs/dbraw/zinc/23/26/81/180232681.db2.gz FMMOWVJYPLLMHH-CQSZACIVSA-N 2 0 266.433 2.074 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CN2CCC1CC2 ZINC000091851724 180272780 /nfs/dbraw/zinc/27/27/80/180272780.db2.gz XLAMLTYKYYSTMO-UYSNPLJNSA-N 2 0 265.445 2.063 10 0 CEAERP CCC[N@H+]([C@@H](C)CC(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852554 180272882 /nfs/dbraw/zinc/27/28/82/180272882.db2.gz JXFGGSOJEZCBQO-HSBZDZAISA-N 2 0 270.417 2.310 10 0 CEAERP CCC[N@H+](CC1CCOCC1)C1CCC([NH3+])CC1 ZINC000091851661 180273074 /nfs/dbraw/zinc/27/30/74/180273074.db2.gz ZXDJKQOOXMKVHX-UHFFFAOYSA-N 2 0 254.418 2.395 10 0 CEAERP CCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850409 180271742 /nfs/dbraw/zinc/27/17/42/180271742.db2.gz GWMIKYRZHIGUKQ-GJROSEKXSA-N 2 0 295.471 2.366 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)NCC(C)C)CC1 ZINC000091870204 180276959 /nfs/dbraw/zinc/27/69/59/180276959.db2.gz XRFZZUABRUMYIK-QQFBHYJXSA-N 2 0 297.487 2.390 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870446 180277489 /nfs/dbraw/zinc/27/74/89/180277489.db2.gz RMAUFOAYGAMGIZ-FHERZECASA-N 2 0 295.471 2.240 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)o1 ZINC000092003529 180304679 /nfs/dbraw/zinc/30/46/79/180304679.db2.gz KRWWJEFCCNDPJW-CVEARBPZSA-N 2 0 291.439 2.366 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082119 180319848 /nfs/dbraw/zinc/31/98/48/180319848.db2.gz MZKRDAUHQNFREG-XQQFMLRXSA-N 2 0 275.396 2.060 10 0 CEAERP NC(=[NH2+])[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262360 180355165 /nfs/dbraw/zinc/35/51/65/180355165.db2.gz OVVJNPIELDDDAU-STQMWFEESA-N 2 0 275.421 2.351 10 0 CEAERP CCCNc1cc[nH+]c(CN2CC[NH+](CC)CC2)c1 ZINC000092417927 180381427 /nfs/dbraw/zinc/38/14/27/180381427.db2.gz IPZNZJQYYPENAA-UHFFFAOYSA-N 2 0 262.401 2.041 10 0 CEAERP CCCNc1cc[nH+]c(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000092419231 180382388 /nfs/dbraw/zinc/38/23/88/180382388.db2.gz LYGZOFOKBKNVSE-UHFFFAOYSA-N 2 0 276.428 2.430 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](c1ccc(C)o1)[C@@H](C)[NH3+] ZINC000092623170 180416847 /nfs/dbraw/zinc/41/68/47/180416847.db2.gz IRORHINOTNDOJQ-IIAWOOMASA-N 2 0 279.428 2.392 10 0 CEAERP CC[NH+](CC)CCOc1cc(C[NH3+])nc2ccccc21 ZINC000109590662 186264951 /nfs/dbraw/zinc/26/49/51/186264951.db2.gz IZZQHNURMOUSIP-UHFFFAOYSA-N 2 0 273.380 2.414 10 0 CEAERP CCCc1nc(N2CC[C@@H]([NH+](CC)CC)C2)sc1C[NH3+] ZINC000110275472 186289416 /nfs/dbraw/zinc/28/94/16/186289416.db2.gz FZCJSLNZSPJMSP-GFCCVEGCSA-N 2 0 296.484 2.475 10 0 CEAERP CCC[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000110459641 186297095 /nfs/dbraw/zinc/29/70/95/186297095.db2.gz WDSLBUXCDOCOFM-CQSZACIVSA-N 2 0 279.428 2.163 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CC[NH+]1CCCCC1 ZINC000110629895 186307624 /nfs/dbraw/zinc/30/76/24/186307624.db2.gz XJVDNKOZDRGHFC-UHFFFAOYSA-N 2 0 292.358 2.252 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000110645183 186308527 /nfs/dbraw/zinc/30/85/27/186308527.db2.gz WBAWXJHIVJHQLY-YJBOKZPZSA-N 2 0 287.451 2.320 10 0 CEAERP CCOc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1O ZINC000110644498 186308806 /nfs/dbraw/zinc/30/88/06/186308806.db2.gz DYLWTSXPYOZVOD-GFCCVEGCSA-N 2 0 278.396 2.350 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)CC2)on1 ZINC000110812636 186326436 /nfs/dbraw/zinc/32/64/36/186326436.db2.gz CCUQSCAFUXKSCM-LBPRGKRZSA-N 2 0 251.374 2.406 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000110977967 186339387 /nfs/dbraw/zinc/33/93/87/186339387.db2.gz PSMZTGQGQLOPKQ-CJNGLKHVSA-N 2 0 279.403 2.017 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC[N@@H+]1C ZINC000110710139 186315568 /nfs/dbraw/zinc/31/55/68/186315568.db2.gz OKSVPHYTXRWTFD-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(CN2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110713265 186315578 /nfs/dbraw/zinc/31/55/78/186315578.db2.gz QFLYHUWIBKMJOL-UONOGXRCSA-N 2 0 291.439 2.112 10 0 CEAERP CC[C@@H]1CN(CC(CC)(CC)C[NH2+]C)CC[N@@H+]1C ZINC000110746648 186318444 /nfs/dbraw/zinc/31/84/44/186318444.db2.gz HGALBVYCSVUIHS-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110745459 186319283 /nfs/dbraw/zinc/31/92/83/186319283.db2.gz DVYONGGJVFYURS-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754704 186320319 /nfs/dbraw/zinc/32/03/19/186320319.db2.gz VGKRXNMHEJPVDN-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@@H+]1C ZINC000110753590 186320729 /nfs/dbraw/zinc/32/07/29/186320729.db2.gz CFYRIYSUBRVJBQ-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755114 186321325 /nfs/dbraw/zinc/32/13/25/186321325.db2.gz GVVDLJRRMFVHLG-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCCc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C[NH3+] ZINC000110760348 186322387 /nfs/dbraw/zinc/32/23/87/186322387.db2.gz LGPOEXYYHNNFJB-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP CC[C@@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760233 186322910 /nfs/dbraw/zinc/32/29/10/186322910.db2.gz KBBQACVXTPDVBL-LLVKDONJSA-N 2 0 296.484 2.430 10 0 CEAERP Cc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C[NH2+]C(C)C ZINC000110760369 186323843 /nfs/dbraw/zinc/32/38/43/186323843.db2.gz NGTJQVFOLPSNRT-UHFFFAOYSA-N 2 0 296.484 2.480 10 0 CEAERP CN(CC[NH+](C)C)c1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000111151308 186360591 /nfs/dbraw/zinc/36/05/91/186360591.db2.gz MHSVHSNOMIYRJH-JTQLQIEISA-N 2 0 282.457 2.113 10 0 CEAERP CN(CCC[NH+](C)C)CC[NH2+]CC1CCCCC1 ZINC000111151046 186361078 /nfs/dbraw/zinc/36/10/78/186361078.db2.gz QTVRZSCJICBKBV-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP C[NH+](C)CCC[N@H+](C)CCCCC[NH2+]C(C)(C)C ZINC000111150481 186361170 /nfs/dbraw/zinc/36/11/70/186361170.db2.gz OBGWDTHDFMEPDM-UHFFFAOYSA-N 3 0 257.466 2.428 10 0 CEAERP CCOCC[N@H+](CC)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111123154 186354492 /nfs/dbraw/zinc/35/44/92/186354492.db2.gz ZTERCGYKPWHPCR-INIZCTEOSA-N 2 0 286.460 2.140 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CC)CCOCC)o1 ZINC000111123764 186354801 /nfs/dbraw/zinc/35/48/01/186354801.db2.gz MWTCUWLXMQRTBF-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000111132877 186355839 /nfs/dbraw/zinc/35/58/39/186355839.db2.gz SAWHVYBZIFLHAR-CYBMUJFWSA-N 2 0 289.345 2.199 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111130803 186355876 /nfs/dbraw/zinc/35/58/76/186355876.db2.gz XLSBQJCAIZQCEH-CVEARBPZSA-N 2 0 281.419 2.488 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131486 186355916 /nfs/dbraw/zinc/35/59/16/186355916.db2.gz LTXIZZAVXRLXKA-DOMZBBRYSA-N 2 0 267.392 2.098 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC[NH+](C)C ZINC000111130194 186356147 /nfs/dbraw/zinc/35/61/47/186356147.db2.gz ZFUBLZJLNGASBA-RISCZKNCSA-N 2 0 269.820 2.222 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000111133342 186356429 /nfs/dbraw/zinc/35/64/29/186356429.db2.gz UBPXFSCPQRKCMU-GDBMZVCRSA-N 2 0 269.477 2.414 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000111130127 186356557 /nfs/dbraw/zinc/35/65/57/186356557.db2.gz MQIFITJKQQJXNT-BXKDBHETSA-N 2 0 275.849 2.283 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111130736 186356629 /nfs/dbraw/zinc/35/66/29/186356629.db2.gz IMIKGTDZUGNIJY-GDBMZVCRSA-N 2 0 263.429 2.267 10 0 CEAERP C[NH2+][C@@H](C)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138750 186356939 /nfs/dbraw/zinc/35/69/39/186356939.db2.gz VGUJTBRYQOSQNF-LBPRGKRZSA-N 2 0 267.392 2.494 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135907 186357012 /nfs/dbraw/zinc/35/70/12/186357012.db2.gz CJCTYKUSFJAHFT-INIZCTEOSA-N 2 0 293.455 2.148 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136087 186357409 /nfs/dbraw/zinc/35/74/09/186357409.db2.gz IBNATCWMKCWLNN-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136313 186357956 /nfs/dbraw/zinc/35/79/56/186357956.db2.gz OEYUWMGDZZCBLF-DLBZAZTESA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N(C)CC[NH+](C)C ZINC000111135349 186358113 /nfs/dbraw/zinc/35/81/13/186358113.db2.gz STBXVBIPPHDZEL-HUUCEWRRSA-N 2 0 257.466 2.427 10 0 CEAERP CN(CCC[NH+](C)C)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000111149237 186358390 /nfs/dbraw/zinc/35/83/90/186358390.db2.gz JUHVWSXCAWBBLA-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CCC[NH+](C)C ZINC000111148128 186358504 /nfs/dbraw/zinc/35/85/04/186358504.db2.gz OACIRFITWOCLAB-WBVHZDCISA-N 2 0 277.456 2.467 10 0 CEAERP CCC[NH2+]C[C@](C)(CCC)CN(C)CC[NH+](C)C ZINC000111146863 186358914 /nfs/dbraw/zinc/35/89/14/186358914.db2.gz SBORNNVKBNSBKV-HNNXBMFYSA-N 2 0 257.466 2.286 10 0 CEAERP CC[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146916 186359541 /nfs/dbraw/zinc/35/95/41/186359541.db2.gz BDXPTJQCJAUMEX-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CCC[NH2+]Cc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000111149789 186360271 /nfs/dbraw/zinc/36/02/71/186360271.db2.gz RBAUOSIXWXRMRB-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP C[NH2+]C[C@@]1(C[NH+]2CCC(C)(C)CC2)CCCOC1 ZINC000111329054 186399409 /nfs/dbraw/zinc/39/94/09/186399409.db2.gz JLUFRRRUXUPECJ-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)CCOCC)CCCOC1 ZINC000111329796 186399531 /nfs/dbraw/zinc/39/95/31/186399531.db2.gz URVHJQCGTFGTRT-MRXNPFEDSA-N 2 0 286.460 2.141 10 0 CEAERP CN(CC1CC[NH+](C)CC1)c1c(F)cc(CC[NH3+])cc1F ZINC000111482130 186423133 /nfs/dbraw/zinc/42/31/33/186423133.db2.gz SLMRSWJVWFBZOO-UHFFFAOYSA-N 2 0 297.393 2.244 10 0 CEAERP Cc1cc(N(C)CCC[NH+](C)C)ccc1C[C@@H](C)[NH3+] ZINC000111498434 186424879 /nfs/dbraw/zinc/42/48/79/186424879.db2.gz WJFFLTXGFQIXBA-CQSZACIVSA-N 2 0 263.429 2.273 10 0 CEAERP CCC[NH2+]CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000111696297 186445807 /nfs/dbraw/zinc/44/58/07/186445807.db2.gz IGBCWXWCQSGISP-GJZGRUSLSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000111709711 186448789 /nfs/dbraw/zinc/44/87/89/186448789.db2.gz OVCBMHNBFUTRLG-UONOGXRCSA-N 2 0 254.418 2.123 10 0 CEAERP Cc1cc(NCC[C@H]([NH3+])Cc2ccccc2)cc[nH+]1 ZINC000630550961 351781259 /nfs/dbraw/zinc/78/12/59/351781259.db2.gz NZSLEELMGWVVBN-HNNXBMFYSA-N 2 0 255.365 2.184 10 0 CEAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000262005925 540160724 /nfs/dbraw/zinc/16/07/24/540160724.db2.gz VPIGAYLBALNTPG-TZMCWYRMSA-N 2 0 275.396 2.110 10 0 CEAERP C[C@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000129854480 291084131 /nfs/dbraw/zinc/08/41/31/291084131.db2.gz IXNRRRANGGKUPG-XIRDDKMYSA-N 2 0 275.440 2.362 10 0 CEAERP [NH3+]CCCC[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000575439561 366288144 /nfs/dbraw/zinc/28/81/44/366288144.db2.gz HFZNOUDQFTVZKD-JTQLQIEISA-N 2 0 273.174 2.284 10 0 CEAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC[C@@H]1NCc1ccccc1 ZINC000685947460 540639200 /nfs/dbraw/zinc/63/92/00/540639200.db2.gz VVBTZHVCSWNLNM-CABCVRRESA-N 2 0 290.407 2.096 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000153712461 366737822 /nfs/dbraw/zinc/73/78/22/366737822.db2.gz GLNPLEGWRTZYQN-DZGCQCFKSA-N 2 0 254.418 2.002 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000095072137 364332326 /nfs/dbraw/zinc/33/23/26/364332326.db2.gz OCQGLCWRLONXOQ-UHFFFAOYSA-N 2 0 275.183 2.143 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000100468698 364546639 /nfs/dbraw/zinc/54/66/39/364546639.db2.gz MRHJLNHIRRALBT-KOMQPUFPSA-N 2 0 259.397 2.079 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159181317 366885528 /nfs/dbraw/zinc/88/55/28/366885528.db2.gz OKWSCTRYKFTLLR-KRWDZBQOSA-N 2 0 293.430 2.284 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C=CCCC2)CC1 ZINC000171746267 367608000 /nfs/dbraw/zinc/60/80/00/367608000.db2.gz YWDLMEJQBMBKFW-HOCLYGCPSA-N 2 0 266.429 2.120 10 0 CEAERP c1ccc(C[N@@H+]2CCCCC[C@@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023068 369059461 /nfs/dbraw/zinc/05/94/61/369059461.db2.gz RLMADAWTROWQGQ-QZTJIDSGSA-N 2 0 287.451 2.383 10 0 CEAERP Cc1ncsc1CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670198 370487815 /nfs/dbraw/zinc/48/78/15/370487815.db2.gz YQIMMLCKKWSHBH-GFCCVEGCSA-N 2 0 253.415 2.068 10 0 CEAERP COc1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)ccc1O ZINC000234991202 370553396 /nfs/dbraw/zinc/55/33/96/370553396.db2.gz ZHGAMUNGEIQJHQ-AWEZNQCLSA-N 2 0 290.407 2.365 10 0 CEAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247202289 371074994 /nfs/dbraw/zinc/07/49/94/371074994.db2.gz WKJOALNNKRORAT-KYJSFNMBSA-N 2 0 288.435 2.356 10 0 CEAERP C[NH2+]C[C@@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000261552752 371644058 /nfs/dbraw/zinc/64/40/58/371644058.db2.gz NIWDNBYOIHQLNG-NSHDSACASA-N 2 0 253.777 2.479 10 0 CEAERP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261705939 371706315 /nfs/dbraw/zinc/70/63/15/371706315.db2.gz IYYWYKYXPCFQIV-ARFHVFGLSA-N 2 0 274.408 2.351 10 0 CEAERP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261790676 371734270 /nfs/dbraw/zinc/73/42/70/371734270.db2.gz XRYKCXUINUDMQV-JQFCIGGWSA-N 2 0 290.407 2.133 10 0 CEAERP Cc1scc(CNC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000399951209 375371489 /nfs/dbraw/zinc/37/14/89/375371489.db2.gz ZTXWTRQXNRYCBH-HNNXBMFYSA-N 2 0 282.453 2.301 10 0 CEAERP C[NH2+]C[C@H](C)[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000093068303 184646707 /nfs/dbraw/zinc/64/67/07/184646707.db2.gz NJQAINYADCUHIQ-JKSUJKDBSA-N 2 0 275.440 2.048 10 0 CEAERP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC[NH3+])C1 ZINC000093214563 184656401 /nfs/dbraw/zinc/65/64/01/184656401.db2.gz QUYDOHZTTWAPRY-OLZOCXBDSA-N 2 0 285.432 2.151 10 0 CEAERP C[N@H+](CC1CCC(C[NH3+])CC1)C[C@H]1CCCOC1 ZINC000093426438 184674025 /nfs/dbraw/zinc/67/40/25/184674025.db2.gz CCPCIEGCXLMHLW-YMAMQOFZSA-N 2 0 254.418 2.110 10 0 CEAERP CCC[NH+](CCC)CC[C@@H]1CCC[C@@]1([NH2+]C1CC1)C(N)=O ZINC000093584709 184693218 /nfs/dbraw/zinc/69/32/18/184693218.db2.gz JWHKIRJHUVFFDR-YOEHRIQHSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH2+][C@@H](C)CCCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094459637 184803939 /nfs/dbraw/zinc/80/39/39/184803939.db2.gz WTSBOPRIFDNJDP-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H]1CCC[C@H]([NH+]2CCC(OCCC[NH3+])CC2)C1 ZINC000094070299 184753484 /nfs/dbraw/zinc/75/34/84/184753484.db2.gz CLNQZDKQQMBJDF-KGLIPLIRSA-N 2 0 254.418 2.395 10 0 CEAERP CCC([NH3+])(CC)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000094243942 184769206 /nfs/dbraw/zinc/76/92/06/184769206.db2.gz FQDWDCIWGKSVAH-UHFFFAOYSA-N 2 0 293.411 2.213 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])[C@H]1CCOC2(CCOCC2)C1 ZINC000094407257 184793930 /nfs/dbraw/zinc/79/39/30/184793930.db2.gz VMKDREQLIZKDDK-GJZGRUSLSA-N 2 0 284.444 2.021 10 0 CEAERP COCC[NH2+]CC1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094413776 184794741 /nfs/dbraw/zinc/79/47/41/184794741.db2.gz ZQHJQZZSDIJVIH-MRXNPFEDSA-N 2 0 296.455 2.036 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@]2(C[NH3+])CC(C)(C)OC2(C)C)CC1 ZINC000094425078 184795895 /nfs/dbraw/zinc/79/58/95/184795895.db2.gz SKHUSOGQFHMGTH-WMLDXEAASA-N 2 0 297.487 2.078 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CN1CC[NH+](C(C)(C)C)CC1 ZINC000094701244 184842428 /nfs/dbraw/zinc/84/24/28/184842428.db2.gz DRLVVEADTHPIQY-AWEZNQCLSA-N 2 0 255.450 2.024 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC[N@H+](C)CCOCC1CC1 ZINC000094989970 184910735 /nfs/dbraw/zinc/91/07/35/184910735.db2.gz VIHMVLPBLIUMOP-HNNXBMFYSA-N 2 0 256.434 2.356 10 0 CEAERP CC[NH2+][C@@H](C)c1ccnc(OCC(C)(C)[NH+](C)C)c1 ZINC000095002162 184913083 /nfs/dbraw/zinc/91/30/83/184913083.db2.gz VPADMDSUKJXUPY-LBPRGKRZSA-N 2 0 265.401 2.471 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000234701280 285373964 /nfs/dbraw/zinc/37/39/64/285373964.db2.gz VQIFSNWAOFNTKK-WOPDTQHZSA-N 2 0 282.350 2.451 10 0 CEAERP C[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511188 533547508 /nfs/dbraw/zinc/54/75/08/533547508.db2.gz FNOAMRUZERRZRU-LMSBXDPUSA-N 2 0 287.451 2.095 10 0 CEAERP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129099025 533661150 /nfs/dbraw/zinc/66/11/50/533661150.db2.gz IWCPYTCGGOWOOG-ZFWWWQNUSA-N 2 0 262.397 2.445 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086819233 135048658 /nfs/dbraw/zinc/04/86/58/135048658.db2.gz YCRIONBOVCRCRS-KRWDZBQOSA-N 2 0 273.424 2.252 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432347 135069886 /nfs/dbraw/zinc/06/98/86/135069886.db2.gz SABHTCKCNKXAQO-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091429787 135069904 /nfs/dbraw/zinc/06/99/04/135069904.db2.gz GCXKWWFVRRWYTB-DOMZBBRYSA-N 2 0 279.403 2.246 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000091431500 135069915 /nfs/dbraw/zinc/06/99/15/135069915.db2.gz DTZYRSRPJISWKX-OCCSQVGLSA-N 2 0 279.403 2.246 10 0 CEAERP C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1C[NH2+]C1 ZINC000422820187 394810639 /nfs/dbraw/zinc/81/06/39/394810639.db2.gz PJQNPWPJDPDZCH-MFAVDMRSSA-N 2 0 250.308 2.305 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415095255 394888085 /nfs/dbraw/zinc/88/80/85/394888085.db2.gz ZELHZDARFHDNBV-DGCLKSJQSA-N 2 0 252.789 2.470 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262975848 154001160 /nfs/dbraw/zinc/00/11/60/154001160.db2.gz YBYKOPDTXJKKCH-AFAVFJNCSA-N 2 0 299.418 2.329 10 0 CEAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1N(C)CC[NH3+] ZINC000263028896 154009915 /nfs/dbraw/zinc/00/99/15/154009915.db2.gz RSBKUZWWHJMQEB-GJZGRUSLSA-N 2 0 275.440 2.034 10 0 CEAERP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000168639821 162366985 /nfs/dbraw/zinc/36/69/85/162366985.db2.gz QQTDSRSFUXGIOQ-KBPBESRZSA-N 2 0 283.460 2.131 10 0 CEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000175054917 165124184 /nfs/dbraw/zinc/12/41/84/165124184.db2.gz RVVBDSTYCHGDGB-JKSUJKDBSA-N 2 0 265.445 2.031 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000193126235 287219648 /nfs/dbraw/zinc/21/96/48/287219648.db2.gz HKISGUWYCJJEEF-QLFBSQMISA-N 2 0 268.445 2.248 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CCCCC[NH3+] ZINC000019485412 170811696 /nfs/dbraw/zinc/81/16/96/170811696.db2.gz JUJHLVRSIAAJLB-CQSZACIVSA-N 2 0 271.449 2.132 10 0 CEAERP CC[NH+]1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1 ZINC000020128568 171015242 /nfs/dbraw/zinc/01/52/42/171015242.db2.gz HDOHQHSDGVJQQB-UHFFFAOYSA-N 3 0 275.440 2.322 10 0 CEAERP [NH3+]C[C@H](c1cccc(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000020179642 171044520 /nfs/dbraw/zinc/04/45/20/171044520.db2.gz ATSGVSWOTMHBIJ-MRXNPFEDSA-N 2 0 293.842 2.367 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000020315945 171145834 /nfs/dbraw/zinc/14/58/34/171145834.db2.gz FGGZBUVXJKNPOC-ZIAGYGMSSA-N 2 0 285.476 2.390 10 0 CEAERP CCCCCC[C@@](C)(C[NH3+])N1CC[NH+](CC)CC1 ZINC000020362577 171161428 /nfs/dbraw/zinc/16/14/28/171161428.db2.gz MDASLSVAUNPRCV-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000022156349 171362411 /nfs/dbraw/zinc/36/24/11/171362411.db2.gz WZBCGDVEPRKQBZ-OLZOCXBDSA-N 2 0 275.396 2.204 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000022212568 171374113 /nfs/dbraw/zinc/37/41/13/171374113.db2.gz HCHKIVOIDISRLJ-GOSISDBHSA-N 2 0 283.419 2.477 10 0 CEAERP CCC[NH+]1CCN([C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000023069839 171410101 /nfs/dbraw/zinc/41/01/01/171410101.db2.gz SEYBDVLVHBZUKC-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP CN(C1CCCCC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000035221790 172064378 /nfs/dbraw/zinc/06/43/78/172064378.db2.gz SVZNHRNKBUUOCC-XYPWUTKMSA-N 2 0 265.445 2.205 10 0 CEAERP C[C@H](Cc1c(F)cccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000038041518 174042005 /nfs/dbraw/zinc/04/20/05/174042005.db2.gz JNYCCFYCUVYLSL-SNVBAGLBSA-N 2 0 254.324 2.237 10 0 CEAERP C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000038041946 174044229 /nfs/dbraw/zinc/04/42/29/174044229.db2.gz IOWMQIOULGGFNY-GVDBMIGSSA-N 2 0 281.488 2.428 10 0 CEAERP [NH3+]C[C@H](c1cccnc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693745 174377685 /nfs/dbraw/zinc/37/76/85/174377685.db2.gz ZDDBMHHGSPJVFZ-QGZVFWFLSA-N 2 0 288.439 2.032 10 0 CEAERP C[C@@H]1CCN(C2(C[NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040717186 174384648 /nfs/dbraw/zinc/38/46/48/174384648.db2.gz XECPJMBXAAVFHM-MRXNPFEDSA-N 2 0 287.451 2.322 10 0 CEAERP CCN(Cc1c(C)nn(C)c1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747547 174392769 /nfs/dbraw/zinc/39/27/69/174392769.db2.gz OUKXUNWECVEEEP-YIONKMFJSA-N 2 0 276.428 2.142 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C1CC[NH+](C)CC1 ZINC000043042525 174954193 /nfs/dbraw/zinc/95/41/93/174954193.db2.gz MVEOCEUMYPHVED-BLLLJJGKSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CC[NH+](C)C)CC(C)C ZINC000043348613 175018357 /nfs/dbraw/zinc/01/83/57/175018357.db2.gz JKIAMMUQVODGAQ-DLBZAZTESA-N 2 0 292.471 2.380 10 0 CEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390205 175033924 /nfs/dbraw/zinc/03/39/24/175033924.db2.gz FLHYNXJEPPQMFL-AWEZNQCLSA-N 2 0 285.794 2.116 10 0 CEAERP CCC[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]CC)CC1 ZINC000043805528 175107785 /nfs/dbraw/zinc/10/77/85/175107785.db2.gz AEVRYQRPKVQRBZ-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[NH+](CC)CC1 ZINC000043806080 175108311 /nfs/dbraw/zinc/10/83/11/175108311.db2.gz CRWPPUZHLMMAOW-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806185 175108696 /nfs/dbraw/zinc/10/86/96/175108696.db2.gz DELGLRDPIYATRC-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810800 175110328 /nfs/dbraw/zinc/11/03/28/175110328.db2.gz MSCYFFOVTCFSSC-NVXWUHKLSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000043815222 175111807 /nfs/dbraw/zinc/11/18/07/175111807.db2.gz ALSXWNXGRYTCOX-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043889928 175117851 /nfs/dbraw/zinc/11/78/51/175117851.db2.gz ADEZPPONPWIKGT-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372451 175365029 /nfs/dbraw/zinc/36/50/29/175365029.db2.gz NZINGGDKVCPFBJ-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374851 175365749 /nfs/dbraw/zinc/36/57/49/175365749.db2.gz WIBDCKPVPIGCRQ-INIZCTEOSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[N@H+](CC)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045386864 175372905 /nfs/dbraw/zinc/37/29/05/175372905.db2.gz KAJJTHZFPCFMGO-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[N@H+](CC)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045386962 175372992 /nfs/dbraw/zinc/37/29/92/175372992.db2.gz FKMQOKQLQIXMBT-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275392 415666571 /nfs/dbraw/zinc/66/65/71/415666571.db2.gz JRZFTABWKJIGHE-AEGPPILISA-N 2 0 254.418 2.169 10 0 CEAERP c1ccc2c(c1)CCO[C@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000071091169 176031238 /nfs/dbraw/zinc/03/12/38/176031238.db2.gz IITOWJGCWNKHNP-KRWDZBQOSA-N 2 0 274.408 2.376 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)C1 ZINC000071123883 176034794 /nfs/dbraw/zinc/03/47/94/176034794.db2.gz RBTOTZADFLDTFI-GDBMZVCRSA-N 2 0 265.445 2.064 10 0 CEAERP CCC[C@@H](c1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148693 176044583 /nfs/dbraw/zinc/04/45/83/176044583.db2.gz AEMUPXFFKMFYAE-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000071150326 176045274 /nfs/dbraw/zinc/04/52/74/176045274.db2.gz KJINDTLDKFCLDQ-UHFFFAOYSA-N 2 0 291.483 2.040 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188550 176062713 /nfs/dbraw/zinc/06/27/13/176062713.db2.gz SJGLPAXJFNEULY-CABCVRRESA-N 2 0 255.450 2.024 10 0 CEAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188406 176062850 /nfs/dbraw/zinc/06/28/50/176062850.db2.gz QMWMPRLWQGNLAY-UXLLHSPISA-N 2 0 275.440 2.001 10 0 CEAERP CCCC(C[NH3+])(CCC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188580 176063563 /nfs/dbraw/zinc/06/35/63/176063563.db2.gz VHCIWPXAYWXDNR-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccccc1C[NH2+]C1CC1 ZINC000071190025 176066010 /nfs/dbraw/zinc/06/60/10/176066010.db2.gz FYELVKRCJKCWKS-AWEZNQCLSA-N 2 0 273.424 2.327 10 0 CEAERP Cc1ccc([C@@H](O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190636 176068406 /nfs/dbraw/zinc/06/84/06/176068406.db2.gz JCXQXWZLTWSLCL-UXLLHSPISA-N 2 0 276.424 2.300 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191381 176070612 /nfs/dbraw/zinc/07/06/12/176070612.db2.gz YSZJRHVRDJCJBL-ZACQAIPSSA-N 2 0 281.488 2.428 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000071191668 176071179 /nfs/dbraw/zinc/07/11/79/176071179.db2.gz ZPRFHXMAGCVKHK-OAHLLOKOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191846 176072500 /nfs/dbraw/zinc/07/25/00/176072500.db2.gz ZHPQNELROZSATA-HZPDHXFCSA-N 3 0 269.477 2.284 10 0 CEAERP Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192040 176072646 /nfs/dbraw/zinc/07/26/46/176072646.db2.gz RRAYATXOAMCQSH-CQSZACIVSA-N 2 0 291.439 2.224 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192072 176073006 /nfs/dbraw/zinc/07/30/06/176073006.db2.gz DMMQHVLJFIYJAP-OAHLLOKOSA-N 2 0 293.455 2.471 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192309 176073913 /nfs/dbraw/zinc/07/39/13/176073913.db2.gz XHMSNTHOTSETMQ-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH+](CCN1CCC[C@@H]([NH2+]C2CC2)C1)C(C)C ZINC000071197779 176076609 /nfs/dbraw/zinc/07/66/09/176076609.db2.gz VMBQMNXRBJTJFB-MRXNPFEDSA-N 2 0 267.461 2.322 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200147 176077282 /nfs/dbraw/zinc/07/72/82/176077282.db2.gz LVENISBNRJJGCS-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1cccc2cccnc21 ZINC000071224735 176089058 /nfs/dbraw/zinc/08/90/58/176089058.db2.gz IPHUIVODHDUYSP-UHFFFAOYSA-N 2 0 273.380 2.032 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000071250002 176095114 /nfs/dbraw/zinc/09/51/14/176095114.db2.gz NRHFOYVLWOFCTB-HNNXBMFYSA-N 2 0 266.360 2.021 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071268051 176101625 /nfs/dbraw/zinc/10/16/25/176101625.db2.gz HUCUOTRHZDOYPW-CQSZACIVSA-N 2 0 292.402 2.026 10 0 CEAERP CC(C)N1CC[NH+](CCCCCC[NH2+]C2CC2)CC1 ZINC000071288086 176110216 /nfs/dbraw/zinc/11/02/16/176110216.db2.gz HJRPNDSPYWAPOQ-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1ccc(OCCC[NH+]2CCCC2)c(CC[NH3+])c1 ZINC000071411463 176157162 /nfs/dbraw/zinc/15/71/62/176157162.db2.gz MSZYWHZCQPSIIM-UHFFFAOYSA-N 2 0 262.397 2.361 10 0 CEAERP CCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@H+](C)C[C@@H](C)O ZINC000079672138 177534828 /nfs/dbraw/zinc/53/48/28/177534828.db2.gz ANQONVNAJRUCMM-QLFBSQMISA-N 2 0 270.461 2.494 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)CC[C@H]2O)CC1 ZINC000079674233 177535914 /nfs/dbraw/zinc/53/59/14/177535914.db2.gz KDVFMFIAVTZDKP-JKSUJKDBSA-N 2 0 282.472 2.447 10 0 CEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004122 270355470 /nfs/dbraw/zinc/35/54/70/270355470.db2.gz PMLAXQPBBDPLNT-IAGOWNOFSA-N 2 0 275.440 2.095 10 0 CEAERP CN1c2ccccc2[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000044516852 277026560 /nfs/dbraw/zinc/02/65/60/277026560.db2.gz PDTQMDDKGFYEGG-HNNXBMFYSA-N 2 0 287.407 2.026 10 0 CEAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247061403 277702081 /nfs/dbraw/zinc/70/20/81/277702081.db2.gz NVLGSLSBUDJGKL-RBSFLKMASA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000248845208 280368049 /nfs/dbraw/zinc/36/80/49/280368049.db2.gz HKISGUWYCJJEEF-KFWWJZLASA-N 2 0 268.445 2.248 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324462834 280601822 /nfs/dbraw/zinc/60/18/22/280601822.db2.gz YMPKQIHXBFLIEQ-HZSPNIEDSA-N 2 0 256.434 2.294 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)OC(C)(C)C2)O1 ZINC000052543603 519725767 /nfs/dbraw/zinc/72/57/67/519725767.db2.gz VGOLSGUOJOJILS-KFWWJZLASA-N 2 0 284.444 2.031 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075731 519726238 /nfs/dbraw/zinc/72/62/38/519726238.db2.gz NWLJANIBOIGXPX-UHFFFAOYSA-N 2 0 295.496 2.154 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655453 519728485 /nfs/dbraw/zinc/72/84/85/519728485.db2.gz PXUQKMHQYGOKPH-LBPRGKRZSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)C[NH+]1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055078519 519728640 /nfs/dbraw/zinc/72/86/40/519728640.db2.gz FKJQFNJZYYLMTA-HNNXBMFYSA-N 2 0 255.450 2.024 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)C2CCCC2)CCOCC1 ZINC000052181345 519911833 /nfs/dbraw/zinc/91/18/33/519911833.db2.gz IBYRROFJJCSFLA-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419882 519913591 /nfs/dbraw/zinc/91/35/91/519913591.db2.gz TYCHBLIJYGALGJ-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654635 519912982 /nfs/dbraw/zinc/91/29/82/519912982.db2.gz HEEUAOHSUJBHTB-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573556 519918913 /nfs/dbraw/zinc/91/89/13/519918913.db2.gz LTAWMXSFTSBGFF-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419747 519920471 /nfs/dbraw/zinc/92/04/71/519920471.db2.gz GBAVTLNEQVOXMV-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC(C)C)C2CC2)O1 ZINC000052515889 519950317 /nfs/dbraw/zinc/95/03/17/519950317.db2.gz NABXDVQJHHTHOJ-GJZGRUSLSA-N 2 0 254.418 2.264 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+](C(C)(C)C)CC2)nc1C ZINC000055001490 520032453 /nfs/dbraw/zinc/03/24/53/520032453.db2.gz LOJYGJMFIRYFRQ-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+][C@H](C)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065139 520172160 /nfs/dbraw/zinc/17/21/60/520172160.db2.gz OTHUSOVLCCPTRX-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)CCc1nc(C)cc(C[NH2+]C(C)C)n1 ZINC000054831674 520712301 /nfs/dbraw/zinc/71/23/01/520712301.db2.gz NLEWSKIFYYOOPY-UHFFFAOYSA-N 2 0 264.417 2.167 10 0 CEAERP CCCc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH3+] ZINC000054994889 521528447 /nfs/dbraw/zinc/52/84/47/521528447.db2.gz USTOOZMETDWOKK-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1ccc[nH+]c1NN ZINC000052722091 521558303 /nfs/dbraw/zinc/55/83/03/521558303.db2.gz DPVZEXHGALBVSV-UHFFFAOYSA-N 2 0 266.389 2.004 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1ccoc1C[NH2+]CC ZINC000052544190 521657851 /nfs/dbraw/zinc/65/78/51/521657851.db2.gz MMWDACSYTUCJLL-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1cccs1 ZINC000045663666 521658026 /nfs/dbraw/zinc/65/80/26/521658026.db2.gz OJMLJHRZVCUBTC-GFCCVEGCSA-N 2 0 255.431 2.022 10 0 CEAERP C([NH2+]C1CC1)[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382057 518397441 /nfs/dbraw/zinc/39/74/41/518397441.db2.gz QVRPZSMXWMJJKP-CABCVRRESA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2ncc(C[NH2+]C3CC3)s2)CC1 ZINC000054908854 518713678 /nfs/dbraw/zinc/71/36/78/518713678.db2.gz KJFDRGNBJZTWKP-UHFFFAOYSA-N 2 0 294.468 2.316 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CO)CCOCC1 ZINC000052183598 518753019 /nfs/dbraw/zinc/75/30/19/518753019.db2.gz MEZABOOBXPDZEH-OAHLLOKOSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069266698 519716678 /nfs/dbraw/zinc/71/66/78/519716678.db2.gz MTOJHJOQEXYBRM-KRWDZBQOSA-N 2 0 275.440 2.351 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515393 519720980 /nfs/dbraw/zinc/72/09/80/519720980.db2.gz MNQBPYUWASNPLA-OAHLLOKOSA-N 3 0 269.477 2.427 10 0 CEAERP CC(C)C[NH+]1CCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055132157 519723665 /nfs/dbraw/zinc/72/36/65/519723665.db2.gz DULFMOXAXLIBCH-UHFFFAOYSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000055079042 519727354 /nfs/dbraw/zinc/72/73/54/519727354.db2.gz JNDUQWXNCHKQIQ-RDJZCZTQSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)[NH2+]Cc1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424160 519727420 /nfs/dbraw/zinc/72/74/20/519727420.db2.gz HGMQHGZFTFCZOI-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478899 519744956 /nfs/dbraw/zinc/74/49/56/519744956.db2.gz RRELIIMOPYCMGK-IRXDYDNUSA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049560736 519775549 /nfs/dbraw/zinc/77/55/49/519775549.db2.gz OKJFDNNLTIDTRE-HNNXBMFYSA-N 2 0 292.427 2.243 10 0 CEAERP CCC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052422084 519859290 /nfs/dbraw/zinc/85/92/90/519859290.db2.gz YFOJJKOTXUDTKT-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052421710 519859839 /nfs/dbraw/zinc/85/98/39/519859839.db2.gz IHJORKVUZHZZMQ-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CCCC1CCN(C2(C[NH3+])C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000050893322 519900951 /nfs/dbraw/zinc/90/09/51/519900951.db2.gz FCAVOAUJUVMTIT-SJPCQFCGSA-N 2 0 279.472 2.453 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061287227 519906122 /nfs/dbraw/zinc/90/61/22/519906122.db2.gz FSAPJEHRIGFXFA-CYBMUJFWSA-N 2 0 271.449 2.001 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000054601907 519909964 /nfs/dbraw/zinc/90/99/64/519909964.db2.gz AEFNFUMQBVPCAF-MQVJKMGUSA-N 2 0 276.428 2.268 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000052180688 519912730 /nfs/dbraw/zinc/91/27/30/519912730.db2.gz KHBJBDPUOFUBGE-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CC1(C[NH+]2C[C@H](C)C[C@@H](C)C2)CCOCC1 ZINC000052180547 519913710 /nfs/dbraw/zinc/91/37/10/519913710.db2.gz MHQHFGJMSDRMLS-HUUCEWRRSA-N 2 0 268.445 2.371 10 0 CEAERP CC[NH2+]CCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515411 519919179 /nfs/dbraw/zinc/91/91/79/519919179.db2.gz KHKRNNHUWXQVOS-UHFFFAOYSA-N 3 0 255.450 2.040 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479955 519929708 /nfs/dbraw/zinc/92/97/08/519929708.db2.gz QPBIXCXXDXBOOI-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](C2CCCC2)CC1 ZINC000052573464 519930943 /nfs/dbraw/zinc/93/09/43/519930943.db2.gz ITDOFRQZQBELLV-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545677 519935800 /nfs/dbraw/zinc/93/58/00/519935800.db2.gz WVBXNUQGMLLVIA-CABCVRRESA-N 2 0 266.385 2.259 10 0 CEAERP CC[NH2+]C[C@@H](CC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417095 519944251 /nfs/dbraw/zinc/94/42/51/519944251.db2.gz FSSQWLXMWCIYPM-QGZVFWFLSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+]Cc1cc(N2CC[NH+](CC(C)C)CC2)ccn1 ZINC000055082442 519948886 /nfs/dbraw/zinc/94/88/86/519948886.db2.gz JMSAPUCFKISALN-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347062 519951134 /nfs/dbraw/zinc/95/11/34/519951134.db2.gz QQYGQERPQGAEFL-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425382 519953348 /nfs/dbraw/zinc/95/33/48/519953348.db2.gz OMNZAJZTTSXCEZ-JKSUJKDBSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069262689 519958265 /nfs/dbraw/zinc/95/82/65/519958265.db2.gz XTVZIILEKPBVTC-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419385 519979741 /nfs/dbraw/zinc/97/97/41/519979741.db2.gz NMAPPXIBEYSIDW-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)COC)c(C)o1 ZINC000052511918 519986982 /nfs/dbraw/zinc/98/69/82/519986982.db2.gz AKFREHJBFTVUIS-LLVKDONJSA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000052481874 519995780 /nfs/dbraw/zinc/99/57/80/519995780.db2.gz BIQLZXBAOPLCBE-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1ccc(N2CC[C@@H]([NH+](CC)CC)C2)nc1 ZINC000062971342 519997788 /nfs/dbraw/zinc/99/77/88/519997788.db2.gz SOXSCDITNLRTQM-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1cccc(C[NH+]2CCSCC2)c1 ZINC000052425519 520004101 /nfs/dbraw/zinc/00/41/01/520004101.db2.gz PBHRTNWUQNYOEE-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP CC[NH2+]Cc1ccoc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082734 520011422 /nfs/dbraw/zinc/01/14/22/520011422.db2.gz XTJOLLAKUUOBET-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000052482555 520012523 /nfs/dbraw/zinc/01/25/23/520012523.db2.gz STGHTZZWOUBURA-HOCLYGCPSA-N 2 0 291.443 2.042 10 0 CEAERP CC[NH2+]Cc1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054905633 520015136 /nfs/dbraw/zinc/01/51/36/520015136.db2.gz RAPNPSYAABQAAR-UHFFFAOYSA-N 2 0 294.468 2.317 10 0 CEAERP CC[NH2+]Cc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1C ZINC000061654754 520028605 /nfs/dbraw/zinc/02/86/05/520028605.db2.gz VHDIBTPHOBVRPN-AWEZNQCLSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061272851 520166114 /nfs/dbraw/zinc/16/61/14/520166114.db2.gz AEHWAMUNOBAXER-CQSZACIVSA-N 2 0 283.460 2.145 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](CCCOC)CCOC ZINC000053859117 520213869 /nfs/dbraw/zinc/21/38/69/520213869.db2.gz JSDLEUMBQABHDQ-CVEARBPZSA-N 2 0 286.460 2.140 10 0 CEAERP CCCO[C@H]1CCC[N@H+](CCCC[NH2+]C2CC2)C1 ZINC000052371480 520285236 /nfs/dbraw/zinc/28/52/36/520285236.db2.gz CQZMFHMBGOZPIV-HNNXBMFYSA-N 2 0 254.418 2.410 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])c(C)o2)C1 ZINC000052372177 520318824 /nfs/dbraw/zinc/31/88/24/520318824.db2.gz IUTOXHIUGBWTDB-CYBMUJFWSA-N 2 0 252.358 2.048 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052372148 520526063 /nfs/dbraw/zinc/52/60/63/520526063.db2.gz PCSSBTHPJPZNHU-AWEZNQCLSA-N 2 0 266.385 2.308 10 0 CEAERP CCC[C@@H](C)[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075350 520667287 /nfs/dbraw/zinc/66/72/87/520667287.db2.gz ZIPZHKCBVWTGRB-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCCC[NH2+]CCN1CCC(C[NH+]2CCCC2)CC1 ZINC000062037298 520691552 /nfs/dbraw/zinc/69/15/52/520691552.db2.gz SDIOEXJSPJDFME-UHFFFAOYSA-N 2 0 267.461 2.184 10 0 CEAERP CC[NH+](CC)C[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000050878100 520722266 /nfs/dbraw/zinc/72/22/66/520722266.db2.gz UBQXMKJZDJREGP-ZDUSSCGKSA-N 2 0 258.450 2.494 10 0 CEAERP CCC[C@@]1(C(=O)N2CCC([NH+](CC)CC)CC2)CC[NH2+]C1 ZINC000062896544 520941110 /nfs/dbraw/zinc/94/11/10/520941110.db2.gz QXAIYKFMEPYCTQ-QGZVFWFLSA-N 2 0 295.471 2.099 10 0 CEAERP CCC[C@]1(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CCC[NH2+]C1 ZINC000062859286 521298479 /nfs/dbraw/zinc/29/84/79/521298479.db2.gz RGTKRVYTMGRAHC-RDJZCZTQSA-N 2 0 297.487 2.249 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643102 521588553 /nfs/dbraw/zinc/58/85/53/521588553.db2.gz CQOLPAQUOFNNKW-ZBFHGGJFSA-N 2 0 291.439 2.111 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484090 521656119 /nfs/dbraw/zinc/65/61/19/521656119.db2.gz LANLARQSKYOCCU-JKSUJKDBSA-N 2 0 284.444 2.033 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052544283 521657629 /nfs/dbraw/zinc/65/76/29/521657629.db2.gz CPSRUZPDUBTLMU-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc(C)c([C@H](C)[NH3+])s1 ZINC000054897696 521659054 /nfs/dbraw/zinc/65/90/54/521659054.db2.gz DXCYKBPECLNYAW-JTQLQIEISA-N 2 0 270.446 2.249 10 0 CEAERP CCCN(CC[NH+](C)C)c1ncccc1C[NH2+]C(C)C ZINC000051489767 521658954 /nfs/dbraw/zinc/65/89/54/521658954.db2.gz MEUFPADAIWAHGY-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP CCC1(CC)CC[NH+](CC2(O)CC[NH2+]CC2)CC1 ZINC000062954094 521687795 /nfs/dbraw/zinc/68/77/95/521687795.db2.gz PEHYWKRXPAZXBE-UHFFFAOYSA-N 2 0 254.418 2.003 10 0 CEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052422471 521688250 /nfs/dbraw/zinc/68/82/50/521688250.db2.gz HDBRMFOKHMEXIG-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cccc(Cl)c1C(N)=[NH2+] ZINC000061644631 521846440 /nfs/dbraw/zinc/84/64/40/521846440.db2.gz MZQYMOWFVPPDPE-JTQLQIEISA-N 2 0 280.803 2.154 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C ZINC000054602504 521953245 /nfs/dbraw/zinc/95/32/45/521953245.db2.gz QDOOODOEOUAFRV-UYTSQGDYSA-N 2 0 265.445 2.076 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065455 522124226 /nfs/dbraw/zinc/12/42/26/522124226.db2.gz RHULKWJCLUWLLF-PBHICJAKSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074762 522124685 /nfs/dbraw/zinc/12/46/85/522124685.db2.gz YDGCGQWATZPIKL-HZPDHXFCSA-N 2 0 269.477 2.284 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063051795 522371718 /nfs/dbraw/zinc/37/17/18/522371718.db2.gz AZZWVHJIANIKHF-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642093 522653862 /nfs/dbraw/zinc/65/38/62/522653862.db2.gz ZHPAVZXXSVRNFE-UMVBOHGHSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977434 522653974 /nfs/dbraw/zinc/65/39/74/522653974.db2.gz XFENYHUOQLDIRG-BBWFWOEESA-N 2 0 288.439 2.030 10 0 CEAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CC(C)(C)C ZINC000052570125 522998205 /nfs/dbraw/zinc/99/82/05/522998205.db2.gz LSUFGHNGVRCCIV-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CC[C@H]1CSC(N[C@@H](CC(C)C)C[NH+](C)C)=[NH+]1 ZINC000049559156 523356073 /nfs/dbraw/zinc/35/60/73/523356073.db2.gz PDTYFUISSKAAFU-RYUDHWBXSA-N 2 0 257.447 2.434 10 0 CEAERP CN(c1cc(Cl)ccc1C[NH3+])C1CC[NH+](C)CC1 ZINC000062786739 523632463 /nfs/dbraw/zinc/63/24/63/523632463.db2.gz HIKTXMWHBRBFHL-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP COCC[NH+](CCOC)[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052571461 523723953 /nfs/dbraw/zinc/72/39/53/523723953.db2.gz GVGQMCPQHVSMTG-AWEZNQCLSA-N 2 0 274.449 2.138 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000062667080 523768857 /nfs/dbraw/zinc/76/88/57/523768857.db2.gz NOBLZJDTNKRYMY-QGZVFWFLSA-N 2 0 273.424 2.117 10 0 CEAERP C[NH+]1CCC(Oc2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787204 523780448 /nfs/dbraw/zinc/78/04/48/523780448.db2.gz AZXGSDGUWMUTJL-UHFFFAOYSA-N 2 0 254.761 2.272 10 0 CEAERP C[N@@H+]1CCCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052424414 523809642 /nfs/dbraw/zinc/80/96/42/523809642.db2.gz YJDAPBBCWZUCQV-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP C[NH+]1CCN(c2ccc(F)cc2C[NH2+]C(C)(C)C)CC1 ZINC000062734209 523925120 /nfs/dbraw/zinc/92/51/20/523925120.db2.gz KLINBADUKIEIQZ-UHFFFAOYSA-N 2 0 279.403 2.466 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065445 523954447 /nfs/dbraw/zinc/95/44/47/523954447.db2.gz LNNXBKFBPUPNQC-WMLDXEAASA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063889 523957768 /nfs/dbraw/zinc/95/77/68/523957768.db2.gz HEGCSDMUIRIOSP-BBRMVZONSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063983 523958450 /nfs/dbraw/zinc/95/84/50/523958450.db2.gz ADYPYGYCJFHNGZ-MJBXVCDLSA-N 2 0 255.450 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064716 523959049 /nfs/dbraw/zinc/95/90/49/523959049.db2.gz ICIDFFMUSHGZDW-JYJNAYRXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063620 523959395 /nfs/dbraw/zinc/95/93/95/523959395.db2.gz NFOHRFPTDDPPQZ-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074158 523959552 /nfs/dbraw/zinc/95/95/52/523959552.db2.gz KALXNKRSWVGFHM-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267076 523959665 /nfs/dbraw/zinc/95/96/65/523959665.db2.gz NSTGGXBEHTYUFT-YOEHRIQHSA-N 2 0 273.424 2.247 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccc(Cl)c(C[NH2+]C)n2)CC1 ZINC000055073617 523960469 /nfs/dbraw/zinc/96/04/69/523960469.db2.gz CXMOJFKPDMNAJA-LBPRGKRZSA-N 2 0 296.846 2.375 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000055076304 523962244 /nfs/dbraw/zinc/96/22/44/523962244.db2.gz SMUWEPFHQIVNQF-NWDGAFQWSA-N 2 0 294.468 2.400 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCCCC2=O)CC1 ZINC000053928920 524049604 /nfs/dbraw/zinc/04/96/04/524049604.db2.gz ULWPWAMAPMRBKT-HNNXBMFYSA-N 2 0 266.429 2.409 10 0 CEAERP CN(CCC[NH+](C)C)C1(C[NH3+])CCC(C(F)(F)F)CC1 ZINC000069375047 524053495 /nfs/dbraw/zinc/05/34/95/524053495.db2.gz PRHWQFVMRTXLAF-UHFFFAOYSA-N 2 0 295.393 2.320 10 0 CEAERP C[NH+](C)CCCOc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051549307 524058061 /nfs/dbraw/zinc/05/80/61/524058061.db2.gz DPSURBDYIIQZQU-UHFFFAOYSA-N 2 0 265.401 2.300 10 0 CEAERP C[C@@H]1CCC[C@H]([N@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182632 524389293 /nfs/dbraw/zinc/38/92/93/524389293.db2.gz JPQVVSWRCYRLJK-KGLIPLIRSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@@H](C[NH3+])CN1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000049254410 524581484 /nfs/dbraw/zinc/58/14/84/524581484.db2.gz GESOYZIEFDWIEA-AWEZNQCLSA-N 2 0 255.450 2.025 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N(C)CC[NH+]1CCCC1 ZINC000063050879 524855868 /nfs/dbraw/zinc/85/58/68/524855868.db2.gz ISNHKXKJKSKCBA-GXTWGEPZSA-N 2 0 267.442 2.164 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642176 525007069 /nfs/dbraw/zinc/00/70/69/525007069.db2.gz GMIOYEJXBATNJN-WQVCFCJDSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061655767 525029638 /nfs/dbraw/zinc/02/96/38/525029638.db2.gz ZGSLDQKHMKKVFV-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@]1(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068628369 525647275 /nfs/dbraw/zinc/64/72/75/525647275.db2.gz WCYWLBQWWHPOJA-UXLLHSPISA-N 2 0 281.488 2.414 10 0 CEAERP C[C@H]1CCCC[C@H]1[N@H+](C)CCNCCC[NH+](C)C ZINC000053439456 526261371 /nfs/dbraw/zinc/26/13/71/526261371.db2.gz DPJMGMBSNJDQAF-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP Fc1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011820 526327334 /nfs/dbraw/zinc/32/73/34/526327334.db2.gz HQMBUVFCESVKRB-CQSZACIVSA-N 2 0 262.372 2.442 10 0 CEAERP Cc1oc(COCCC[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000052672351 526775273 /nfs/dbraw/zinc/77/52/73/526775273.db2.gz IIQFZYHHWAIEIK-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP NC(=[NH2+])c1cc(Cl)ccc1OCC[NH+]1CCCC1 ZINC000052860378 526820532 /nfs/dbraw/zinc/82/05/32/526820532.db2.gz IMDIPJYIYCJJOT-UHFFFAOYSA-N 2 0 267.760 2.099 10 0 CEAERP NC(=[NH2+])c1ccc(Cl)cc1N1CC[NH+](CC2CC2)CC1 ZINC000062788889 526821561 /nfs/dbraw/zinc/82/15/61/526821561.db2.gz SSLCNCJSYMELLL-UHFFFAOYSA-N 2 0 292.814 2.156 10 0 CEAERP [NH3+]C[C@@H]1c2ccccc2CCN1CCC[NH+]1CCCC1 ZINC000069311836 527220805 /nfs/dbraw/zinc/22/08/05/527220805.db2.gz XGQIBLVGHDTZTC-QGZVFWFLSA-N 2 0 273.424 2.030 10 0 CEAERP [NH3+]Cc1ccc(F)cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069401653 527254724 /nfs/dbraw/zinc/25/47/24/527254724.db2.gz ZCGQTLFUBXTVHB-KRWDZBQOSA-N 2 0 291.414 2.345 10 0 CEAERP [NH3+]Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000061710180 527260211 /nfs/dbraw/zinc/26/02/11/527260211.db2.gz NPLSTLNNPYDYBV-QGZVFWFLSA-N 2 0 282.387 2.379 10 0 CEAERP [NH3+][C@H]1CCCC[C@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000053858562 527398248 /nfs/dbraw/zinc/39/82/48/527398248.db2.gz SXNPOMZPDYDLMV-RDJZCZTQSA-N 2 0 279.472 2.454 10 0 CEAERP CO[C@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000308378483 623676158 /nfs/dbraw/zinc/67/61/58/623676158.db2.gz UZFQSJVYXMFYBN-STQMWFEESA-N 2 0 254.418 2.121 10 0 CEAERP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000261944105 623709722 /nfs/dbraw/zinc/70/97/22/623709722.db2.gz FAWSOFOOWUQWET-GPANFISMSA-N 2 0 295.471 2.132 10 0 CEAERP CC1(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000311243677 627395899 /nfs/dbraw/zinc/39/58/99/627395899.db2.gz YUXKFWKOEMEVGV-CQSZACIVSA-N 2 0 254.418 2.003 10 0 CEAERP CCC[NH2+]Cc1sc(CC[NH+](C)C)nc1CC ZINC000082425747 178000342 /nfs/dbraw/zinc/00/03/42/178000342.db2.gz HIEDTFMLPLOGKS-UHFFFAOYSA-N 2 0 255.431 2.309 10 0 CEAERP C[C@H](Cn1cncc1[C@@H]1CCC[C@@H](C)[NH2+]1)[NH+](C)C ZINC000097020152 185152847 /nfs/dbraw/zinc/15/28/47/185152847.db2.gz DZANVTWYEGUILW-UPJWGTAASA-N 2 0 250.390 2.036 10 0 CEAERP CCn1ncc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781450 344482637 /nfs/dbraw/zinc/48/26/37/344482637.db2.gz SLHBOWJENUTBKA-INIZCTEOSA-N 2 0 290.455 2.375 10 0 CEAERP NC(=[NH2+])NC(=[NH2+])Nc1cccc(OCc2ccccc2)c1 ZINC000306676541 344716298 /nfs/dbraw/zinc/71/62/98/344716298.db2.gz WJRDZSJRSBJSRZ-UHFFFAOYSA-N 2 0 283.335 2.095 10 0 CEAERP C[C@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1Cl ZINC000399030017 344856845 /nfs/dbraw/zinc/85/68/45/344856845.db2.gz IYINWQKWIHEUNP-LBPRGKRZSA-N 2 0 282.815 2.447 10 0 CEAERP C[C@@H]1CC[C@H]([NH3+])[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000058057902 362606073 /nfs/dbraw/zinc/60/60/73/362606073.db2.gz RWGGHNZHOXOURZ-BPQIPLTHSA-N 2 0 287.451 2.320 10 0 CEAERP Cc1cc(N2CC[NH+](C3CC3)CC2)c([C@H](C)[NH3+])cc1F ZINC000094766099 136514701 /nfs/dbraw/zinc/51/47/01/136514701.db2.gz CQACDZYAZLYEDG-LBPRGKRZSA-N 2 0 277.387 2.438 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000100468700 136523869 /nfs/dbraw/zinc/52/38/69/136523869.db2.gz MRHJLNHIRRALBT-FZNQNYSPSA-N 2 0 259.397 2.079 10 0 CEAERP CC(C)C[NH+](CCCC[C@](C)(O)C[NH3+])CC(C)C ZINC000085300578 179010502 /nfs/dbraw/zinc/01/05/02/179010502.db2.gz HAGAIDHTMFKUJQ-HNNXBMFYSA-N 2 0 258.450 2.480 10 0 CEAERP C[NH2+]C[C@@H](C)c1ccc(COCCC[NH+](C)C)cc1 ZINC000097810469 185670782 /nfs/dbraw/zinc/67/07/82/185670782.db2.gz LKDUCGNXTVXLDO-CQSZACIVSA-N 2 0 264.413 2.478 10 0 CEAERP CCc1nc2c(n1CCC[N@@H+]1CCCC[C@@H]1C)CC[NH2+]C2 ZINC000085568453 179095159 /nfs/dbraw/zinc/09/51/59/179095159.db2.gz LCRMENUIWBQGBR-AWEZNQCLSA-N 2 0 290.455 2.356 10 0 CEAERP Cc1nc2c(n1CCC[N@H+]1CCCC[C@H]1C)CC[NH2+]C2 ZINC000085568463 179095709 /nfs/dbraw/zinc/09/57/09/179095709.db2.gz LUZDVMAZFLUMSK-CYBMUJFWSA-N 2 0 276.428 2.102 10 0 CEAERP COCCOCC[N@@H+]1C[C@@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625552 179106576 /nfs/dbraw/zinc/10/65/76/179106576.db2.gz IWZUXVMDBXJREN-RDJZCZTQSA-N 2 0 298.471 2.282 10 0 CEAERP CC[N@@H+]1CCC[C@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572793 179098182 /nfs/dbraw/zinc/09/81/82/179098182.db2.gz GZCBLEIYUUTNSS-ZDUSSCGKSA-N 2 0 274.412 2.063 10 0 CEAERP CCCCOCC[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612531 179103456 /nfs/dbraw/zinc/10/34/56/179103456.db2.gz JYLJLGJFTIEWRX-UHFFFAOYSA-N 2 0 254.418 2.411 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626601 179106429 /nfs/dbraw/zinc/10/64/29/179106429.db2.gz RBUAJFVMVWFMNX-SNPRPXQTSA-N 2 0 252.402 2.018 10 0 CEAERP CCCCOCC[N@@H+]1C[C@@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626299 179106441 /nfs/dbraw/zinc/10/64/41/179106441.db2.gz INIDHKPLFATZTP-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145774 179238565 /nfs/dbraw/zinc/23/85/65/179238565.db2.gz MWLIFFYIXQJLPX-WBVHZDCISA-N 2 0 279.472 2.182 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086141822 179236636 /nfs/dbraw/zinc/23/66/36/179236636.db2.gz SELLJXXBAFUDGE-FUHWJXTLSA-N 2 0 287.451 2.149 10 0 CEAERP CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153934 179241244 /nfs/dbraw/zinc/24/12/44/179241244.db2.gz WYVDZCMKVYNDKD-MSOLQXFVSA-N 2 0 289.467 2.233 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086173666 179244586 /nfs/dbraw/zinc/24/45/86/179244586.db2.gz OOWCMJYAVKIZML-BHYGNILZSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[N@H+](C)CCCCN1CC[NH2+][C@@](C)(C2CC2)C1 ZINC000086146735 179239830 /nfs/dbraw/zinc/23/98/30/179239830.db2.gz YZGJFQKWKJWJSP-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217869 179249774 /nfs/dbraw/zinc/24/97/74/179249774.db2.gz MYKYCRSGGRAXPF-WBVHZDCISA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223175 179252570 /nfs/dbraw/zinc/25/25/70/179252570.db2.gz JLGOWXVRPQLKJI-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225411 179253561 /nfs/dbraw/zinc/25/35/61/179253561.db2.gz UHJZKOZGAZMPMA-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CC(C)(C)NC[C@H]2C(C)C)CC1 ZINC000086259154 179258031 /nfs/dbraw/zinc/25/80/31/179258031.db2.gz XPKTXAUSHTVDFB-INIZCTEOSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259242 179258150 /nfs/dbraw/zinc/25/81/50/179258150.db2.gz ZCCCPRRITZEIML-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CCC1(CC)CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)C[NH2+]1 ZINC000086259632 179259056 /nfs/dbraw/zinc/25/90/56/179259056.db2.gz OERMPARCEUNZFX-DZGCQCFKSA-N 2 0 265.445 2.076 10 0 CEAERP CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261125 179260137 /nfs/dbraw/zinc/26/01/37/179260137.db2.gz NFFLNLIJHADBFD-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CCOCCC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086286244 179264643 /nfs/dbraw/zinc/26/46/43/179264643.db2.gz CMUNDPDDMAAHHV-UHFFFAOYSA-N 2 0 254.418 2.411 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259252 179257519 /nfs/dbraw/zinc/25/75/19/179257519.db2.gz RPNTYUOCPDMVES-XHSDSOJGSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086293034 179266693 /nfs/dbraw/zinc/26/66/93/179266693.db2.gz HESNLVIXRGHXQR-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293880 179268341 /nfs/dbraw/zinc/26/83/41/179268341.db2.gz ZWKHCECWTPEUHX-FUHWJXTLSA-N 2 0 286.419 2.454 10 0 CEAERP COCC[C@@H](C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086300106 179268751 /nfs/dbraw/zinc/26/87/51/179268751.db2.gz LDDZSZCNAWCYDK-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086399465 179285407 /nfs/dbraw/zinc/28/54/07/179285407.db2.gz DZSXYUSCIVQEEB-YUMQZZPRSA-N 2 0 275.215 2.480 10 0 CEAERP C[C@@H](CNC1=[NH+]C[C@@H](C)CS1)C[NH+]1CCCC1 ZINC000086633492 179315000 /nfs/dbraw/zinc/31/50/00/179315000.db2.gz CVLIEAOYZILEBT-NWDGAFQWSA-N 2 0 255.431 2.047 10 0 CEAERP C[C@H]1CCC[C@@]1(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000086676373 179319222 /nfs/dbraw/zinc/31/92/22/179319222.db2.gz SGWFSDZSNDMJBG-WMZOPIPTSA-N 2 0 287.451 2.322 10 0 CEAERP CC(C)CN(C(C)C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819460 179347983 /nfs/dbraw/zinc/34/79/83/179347983.db2.gz PGBPJHLVJHKOIJ-OAHLLOKOSA-N 2 0 255.450 2.166 10 0 CEAERP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC000086817399 179344715 /nfs/dbraw/zinc/34/47/15/179344715.db2.gz HYKFVYNOZDQZPA-OAHLLOKOSA-N 2 0 286.423 2.419 10 0 CEAERP CC(C)C[C@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817432 179344886 /nfs/dbraw/zinc/34/48/86/179344886.db2.gz VLRHFEFXGQSLJQ-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC1CCN([C@@]2(C[NH3+])CCC[N@H+](CC)CC2)CC1 ZINC000086847576 179356031 /nfs/dbraw/zinc/35/60/31/179356031.db2.gz NHXWQEVBBZGNOE-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835479 179350081 /nfs/dbraw/zinc/35/00/81/179350081.db2.gz OSMAPIUUFDZKTO-NFOMZHRRSA-N 2 0 254.418 2.144 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840759 179352536 /nfs/dbraw/zinc/35/25/36/179352536.db2.gz NTTDCHSSAMPLGU-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843722 179352936 /nfs/dbraw/zinc/35/29/36/179352936.db2.gz PIRRUXWFCOJITQ-HNNXBMFYSA-N 3 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842241 179353036 /nfs/dbraw/zinc/35/30/36/179353036.db2.gz LLPVZYFVFQGPIW-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845180 179354700 /nfs/dbraw/zinc/35/47/00/179354700.db2.gz SMDHCUUOOGWJAC-GFCCVEGCSA-N 2 0 282.350 2.418 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851251 179359581 /nfs/dbraw/zinc/35/95/81/179359581.db2.gz GNBVOIXOCYNIMY-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086943915 179367796 /nfs/dbraw/zinc/36/77/96/179367796.db2.gz LYHOSJHTCWCAGT-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CCC[C@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952103 179368516 /nfs/dbraw/zinc/36/85/16/179368516.db2.gz PROHLWCQSMQSRC-HOTGVXAUSA-N 2 0 268.445 2.393 10 0 CEAERP CCC1CCC(O)(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000087052970 179388706 /nfs/dbraw/zinc/38/87/06/179388706.db2.gz OFZSDTTWDJYZPR-PCKAHOCUSA-N 2 0 268.445 2.249 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CC1(O)CCCCC1 ZINC000087029184 179382356 /nfs/dbraw/zinc/38/23/56/179382356.db2.gz DHSKQJRLQSWZAG-AWEZNQCLSA-N 2 0 254.418 2.146 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCCCCC2)CC1 ZINC000087089126 179393513 /nfs/dbraw/zinc/39/35/13/179393513.db2.gz IQAPJIAUHDPRCS-AWEZNQCLSA-N 2 0 254.418 2.146 10 0 CEAERP CC[C@H](C[NH3+])C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000087521896 179439647 /nfs/dbraw/zinc/43/96/47/179439647.db2.gz APTHMRIAQPRKJO-CQSZACIVSA-N 2 0 277.412 2.452 10 0 CEAERP C[NH+](C)CCN[C@H](C[NH3+])c1csc2ccccc12 ZINC000087912236 179520806 /nfs/dbraw/zinc/52/08/06/179520806.db2.gz XIUBLBIUWHBCIM-CYBMUJFWSA-N 2 0 263.410 2.052 10 0 CEAERP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369576 233177612 /nfs/dbraw/zinc/17/76/12/233177612.db2.gz TUTXEYQYSFFBPX-SZMVWBNQSA-N 2 0 287.451 2.096 10 0 CEAERP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000400718509 233180779 /nfs/dbraw/zinc/18/07/79/233180779.db2.gz NWABMOPULYJADO-UONOGXRCSA-N 2 0 277.412 2.037 10 0 CEAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000089504939 179806405 /nfs/dbraw/zinc/80/64/05/179806405.db2.gz CYFDKIJCFUMDFD-CWRNSKLLSA-N 2 0 268.445 2.105 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000090566482 180005778 /nfs/dbraw/zinc/00/57/78/180005778.db2.gz PDMDXWKLAAHHDX-LEWSCRJBSA-N 2 0 297.468 2.425 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566821 180006480 /nfs/dbraw/zinc/00/64/80/180006480.db2.gz YJQKZSJBQXXRKX-KGLIPLIRSA-N 2 0 254.418 2.123 10 0 CEAERP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694403 180025870 /nfs/dbraw/zinc/02/58/70/180025870.db2.gz CPRVCVYHGFCTMK-UKRRQHHQSA-N 2 0 295.471 2.144 10 0 CEAERP FC(F)(F)CC[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694487 180025938 /nfs/dbraw/zinc/02/59/38/180025938.db2.gz USEMUKDXFMTJDG-LLVKDONJSA-N 2 0 250.308 2.403 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090874472 180049610 /nfs/dbraw/zinc/04/96/10/180049610.db2.gz ZCBPMHMSVFTACF-INIZCTEOSA-N 2 0 274.408 2.312 10 0 CEAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873619 180050062 /nfs/dbraw/zinc/05/00/62/180050062.db2.gz ZZEMARNDIDWPGI-CFVMTHIKSA-N 2 0 260.381 2.049 10 0 CEAERP c1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874333 180050155 /nfs/dbraw/zinc/05/01/55/180050155.db2.gz MBFIDSATWZUCCB-CZUORRHYSA-N 2 0 272.392 2.064 10 0 CEAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892554 180054251 /nfs/dbraw/zinc/05/42/51/180054251.db2.gz BHCDSBNGQNSXOT-WFASDCNBSA-N 2 0 278.371 2.061 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH+]1CCC(CC[NH3+])CC1)O2 ZINC000090898938 180057807 /nfs/dbraw/zinc/05/78/07/180057807.db2.gz KASJWHVMDSKQNT-INIZCTEOSA-N 2 0 274.408 2.359 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090957967 180074578 /nfs/dbraw/zinc/07/45/78/180074578.db2.gz QQNVIVMHCDRADV-PHIMTYICSA-N 2 0 253.415 2.122 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[NH+](C)C)c2ncccc12 ZINC000091020431 180087854 /nfs/dbraw/zinc/08/78/54/180087854.db2.gz YEGJIQHQZWKTJX-UHFFFAOYSA-N 2 0 260.385 2.096 10 0 CEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313758 180132969 /nfs/dbraw/zinc/13/29/69/180132969.db2.gz UHQJKSGJTNXXLI-ZDUSSCGKSA-N 2 0 268.788 2.150 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091428369 180152899 /nfs/dbraw/zinc/15/28/99/180152899.db2.gz FLMUPSGVWIQHDT-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N3CCC[C@H]([NH+](C)C)C3)nc21 ZINC000091429152 180152910 /nfs/dbraw/zinc/15/29/10/180152910.db2.gz XLFGOVQAWMZMQZ-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC(C)(C)C[NH2+]C(C)(C)C)C1 ZINC000091431303 180153347 /nfs/dbraw/zinc/15/33/47/180153347.db2.gz XGEBDBNPSUBVNM-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432883 180153691 /nfs/dbraw/zinc/15/36/91/180153691.db2.gz IHGSZAJXEVYLIK-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]([NH3+])[C@H](N1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091392476 180145124 /nfs/dbraw/zinc/14/51/24/180145124.db2.gz KMFRLCUWOPEUGR-IHRRRGAJSA-N 2 0 255.450 2.164 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393342 180145624 /nfs/dbraw/zinc/14/56/24/180145624.db2.gz PPPLHFONZPTANW-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392839 180145732 /nfs/dbraw/zinc/14/57/32/180145732.db2.gz QAJJZGPPPCHWNB-JLJPHGGASA-N 2 0 291.439 2.110 10 0 CEAERP CCC[NH2+][C@H](C)CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395245 180146528 /nfs/dbraw/zinc/14/65/28/180146528.db2.gz MKIPOCOWCDBBIX-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000091404598 180147095 /nfs/dbraw/zinc/14/70/95/180147095.db2.gz YENMYFMQRNTPPD-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000091404187 180147098 /nfs/dbraw/zinc/14/70/98/180147098.db2.gz YFPIRWSHGFVZFZ-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000091405060 180147394 /nfs/dbraw/zinc/14/73/94/180147394.db2.gz MKDRXVPXALCJQN-CQSZACIVSA-N 3 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](CC)CC1 ZINC000091402270 180147450 /nfs/dbraw/zinc/14/74/50/180147450.db2.gz HCLUJZWPBHSOLA-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091430273 180152777 /nfs/dbraw/zinc/15/27/77/180152777.db2.gz VOCWLNMPUYETAT-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+](CC)C(CC)(CC)[C@H](O)Cc1c[nH+]ccc1N ZINC000091615579 180207758 /nfs/dbraw/zinc/20/77/58/180207758.db2.gz CXVAVCWKZBKISJ-OAHLLOKOSA-N 2 0 279.428 2.468 10 0 CEAERP CC[NH+](CC)C(CC)(CC)[C@@H](O)Cc1c[nH+]ccc1N ZINC000091615580 180208185 /nfs/dbraw/zinc/20/81/85/180208185.db2.gz CXVAVCWKZBKISJ-HNNXBMFYSA-N 2 0 279.428 2.468 10 0 CEAERP CC[NH+](CC)C1([C@H](N)Cc2c[nH+]ccc2N)CCCC1 ZINC000091639118 180212354 /nfs/dbraw/zinc/21/23/54/180212354.db2.gz WQOWXDSHFGBGLL-OAHLLOKOSA-N 2 0 276.428 2.188 10 0 CEAERP C[NH2+][C@@H](C1CCOCC1)C1([NH+](C)C)CCCCC1 ZINC000091647382 180215607 /nfs/dbraw/zinc/21/56/07/180215607.db2.gz IHYOXJMIDLZHIE-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@H](Cc1ccc(F)cc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720716 180235706 /nfs/dbraw/zinc/23/57/06/180235706.db2.gz ABOJJBXGTZELKL-BPLDGKMQSA-N 2 0 298.789 2.212 10 0 CEAERP Cc1cc(C)cc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720188 180236736 /nfs/dbraw/zinc/23/67/36/180236736.db2.gz UQWNEAHPXDJJHZ-OAGGEKHMSA-N 2 0 260.381 2.166 10 0 CEAERP [NH3+][C@@H]1CCCc2sc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722534 180240837 /nfs/dbraw/zinc/24/08/37/180240837.db2.gz MLWSVCNSAONXCH-MXWKQRLJSA-N 2 0 279.409 2.015 10 0 CEAERP CC[N@H+](C[C@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850869 180272375 /nfs/dbraw/zinc/27/23/75/180272375.db2.gz NFHRPAGUYVUTGO-NRXISQOPSA-N 2 0 290.407 2.418 10 0 CEAERP CCCCOC(=O)C[N@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852446 180273083 /nfs/dbraw/zinc/27/30/83/180273083.db2.gz PYBDPBJPIUHWKU-UHFFFAOYSA-N 2 0 270.417 2.312 10 0 CEAERP CCN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)C1=CCCCC1 ZINC000091846726 180270201 /nfs/dbraw/zinc/27/02/01/180270201.db2.gz OEXSMDYHSJCLJE-UHFFFAOYSA-N 2 0 293.455 2.495 10 0 CEAERP CC[N@H+]([C@@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091849627 180270898 /nfs/dbraw/zinc/27/08/98/180270898.db2.gz YCIVMDALVBOJCU-KOHJWAIASA-N 2 0 276.380 2.418 10 0 CEAERP CC[N@H+](CC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850847 180271815 /nfs/dbraw/zinc/27/18/15/180271815.db2.gz LGSXEOTUFSICOF-UHFFFAOYSA-N 2 0 281.444 2.027 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871309 180277097 /nfs/dbraw/zinc/27/70/97/180277097.db2.gz BLOHUBINEJNSMM-PCKAHOCUSA-N 3 0 267.461 2.323 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCCCC[C@@H]2O)CC1 ZINC000091870510 180277381 /nfs/dbraw/zinc/27/73/81/180277381.db2.gz DXVAHWFBOJTRRM-CVSAEHQPSA-N 2 0 254.418 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000091873253 180277962 /nfs/dbraw/zinc/27/79/62/180277962.db2.gz UPHZHUPTDGXHJQ-SLTXQBBLSA-N 2 0 295.471 2.144 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091996057 180302343 /nfs/dbraw/zinc/30/23/43/180302343.db2.gz PDFUNEOPPGTOFT-PBWFPOADSA-N 2 0 275.396 2.201 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092003681 180304463 /nfs/dbraw/zinc/30/44/63/180304463.db2.gz AUBPJOFHIKHBSP-MSOLQXFVSA-N 2 0 287.451 2.465 10 0 CEAERP CCC[NH2+]Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000092003381 180304539 /nfs/dbraw/zinc/30/45/39/180304539.db2.gz HJYJUPDCSUKLOV-WBVHZDCISA-N 2 0 288.439 2.254 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003565 180304614 /nfs/dbraw/zinc/30/46/14/180304614.db2.gz XVGLXINREOBYMU-CVEARBPZSA-N 2 0 291.439 2.446 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088417 180321693 /nfs/dbraw/zinc/32/16/93/180321693.db2.gz IIVNOFBCIMAVRX-XHSDSOJGSA-N 2 0 268.445 2.371 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000092203851 180343765 /nfs/dbraw/zinc/34/37/65/180343765.db2.gz DBCAJMXXJZDLNH-ZFWWWQNUSA-N 2 0 285.391 2.124 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000092300438 180358871 /nfs/dbraw/zinc/35/88/71/180358871.db2.gz DDJAJQYCFRZNMT-OAHLLOKOSA-N 2 0 274.408 2.484 10 0 CEAERP CCC[NH2+]CCc1c(C)nn(-c2cc[nH+]cc2)c1C ZINC000092321776 180362455 /nfs/dbraw/zinc/36/24/55/180362455.db2.gz CWEYXRQWISDPML-UHFFFAOYSA-N 2 0 258.369 2.426 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402542 180378435 /nfs/dbraw/zinc/37/84/35/180378435.db2.gz NQQGLGBRUNYGJE-NWDGAFQWSA-N 2 0 257.447 2.434 10 0 CEAERP Cc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000092431280 180384099 /nfs/dbraw/zinc/38/40/99/180384099.db2.gz IDHHAOLELIWDSO-MRXNPFEDSA-N 2 0 259.397 2.354 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC[N@H+](C)CC2)c1 ZINC000092418058 180381317 /nfs/dbraw/zinc/38/13/17/180381317.db2.gz IOJHUJJOFNOJTM-UHFFFAOYSA-N 2 0 262.401 2.041 10 0 CEAERP CCNc1cc[nH+]c(CN(C)CC2CC[NH+](C)CC2)c1 ZINC000092419173 180382459 /nfs/dbraw/zinc/38/24/59/180382459.db2.gz DRIJPBWZSNEDRA-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CCC[NH2+][C@H](C)C[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092627274 180419418 /nfs/dbraw/zinc/41/94/18/180419418.db2.gz VKRMMDGSVKNSKH-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H](C)[C@@H](CC)c1nc(CC[NH+](CC)CC)no1 ZINC000109496135 186256574 /nfs/dbraw/zinc/25/65/74/186256574.db2.gz FMXPELBKZOQTGF-QWHCGFSZSA-N 2 0 282.432 2.446 10 0 CEAERP CC[NH2+][C@H]1C(=O)Nc2cc(-n3cnc(C)c3C)ccc21 ZINC000109573171 186263453 /nfs/dbraw/zinc/26/34/53/186263453.db2.gz HPOQEHXOVKVRAN-CQSZACIVSA-N 2 0 270.336 2.092 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000109463544 186254506 /nfs/dbraw/zinc/25/45/06/186254506.db2.gz ZKGVFBPINOXULO-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP CCc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)sc1C[NH3+] ZINC000110275714 186289658 /nfs/dbraw/zinc/28/96/58/186289658.db2.gz MBKBPMDGUGIIOT-LBPRGKRZSA-N 2 0 294.468 2.229 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000110370648 186294834 /nfs/dbraw/zinc/29/48/34/186294834.db2.gz YAZKDUNDOOOVOX-ZWKOTPCHSA-N 2 0 287.451 2.117 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000110977834 186338885 /nfs/dbraw/zinc/33/88/85/186338885.db2.gz VSLPBRCLWLATHH-GDBMZVCRSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705277 186313812 /nfs/dbraw/zinc/31/38/12/186313812.db2.gz RCSQEHZDKKOIHR-SWLSCSKDSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705131 186314222 /nfs/dbraw/zinc/31/42/22/186314222.db2.gz DIYIAOHSPUBUSE-AAEUAGOBSA-N 2 0 267.442 2.162 10 0 CEAERP C[NH2+][C@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717128 186315422 /nfs/dbraw/zinc/31/54/22/186315422.db2.gz OPUWLMVDQPJKGI-MRXNPFEDSA-N 2 0 275.440 2.282 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000110714485 186315510 /nfs/dbraw/zinc/31/55/10/186315510.db2.gz CIPGOLBACZYAHN-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711751 186315880 /nfs/dbraw/zinc/31/58/80/186315880.db2.gz NSPSFPRERFUEAK-ZBFHGGJFSA-N 2 0 275.440 2.143 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110746819 186319273 /nfs/dbraw/zinc/31/92/73/186319273.db2.gz SMOUGKHKCCYQBY-ARFHVFGLSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N3CC[N@H+](C)C(C)(C)C3)sc21 ZINC000110758790 186320966 /nfs/dbraw/zinc/32/09/66/186320966.db2.gz ISTNAFRUVYCTFH-LLVKDONJSA-N 2 0 294.468 2.270 10 0 CEAERP C[C@H]([NH2+]CCN1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000110755615 186321375 /nfs/dbraw/zinc/32/13/75/186321375.db2.gz ZFOMQAGTTCPMSX-STQMWFEESA-N 2 0 267.442 2.035 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755237 186322029 /nfs/dbraw/zinc/32/20/29/186322029.db2.gz JDAAEVPJGYSKIC-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[N@H+](C)C(C)(C)C2)nc1CC ZINC000110760422 186322499 /nfs/dbraw/zinc/32/24/99/186322499.db2.gz CSHJLUZERNLFQW-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039979 186346511 /nfs/dbraw/zinc/34/65/11/186346511.db2.gz NIOXRNLPPKYJBB-HNNXBMFYSA-N 2 0 297.393 2.238 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039765 186346601 /nfs/dbraw/zinc/34/66/01/186346601.db2.gz SFKMZXIWTUCJIC-OAHLLOKOSA-N 2 0 297.393 2.381 10 0 CEAERP CCCCC[C@H](C)[NH2+]CCN(C)CCC[NH+](C)C ZINC000111150976 186360991 /nfs/dbraw/zinc/36/09/91/186360991.db2.gz ATRDTAAJOLLPEK-HNNXBMFYSA-N 2 0 257.466 2.428 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC[NH+](C)C ZINC000111130216 186355882 /nfs/dbraw/zinc/35/58/82/186355882.db2.gz XPBIEAFUARCZPF-SMDDNHRTSA-N 2 0 269.820 2.222 10 0 CEAERP Cc1cc(C)c([C@@H](C[NH3+])N(C)CC[NH+](C)C)c(C)c1 ZINC000111132968 186356396 /nfs/dbraw/zinc/35/63/96/186356396.db2.gz CGPYNDNPNOELMA-OAHLLOKOSA-N 2 0 263.429 2.105 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133758 186356485 /nfs/dbraw/zinc/35/64/85/186356485.db2.gz MZHNWFLXHANQSY-INIZCTEOSA-N 2 0 263.429 2.132 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000111133089 186356507 /nfs/dbraw/zinc/35/65/07/186356507.db2.gz YURVYJIIWAXRID-LBPRGKRZSA-N 2 0 290.238 2.487 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CCC[NH+](C)C ZINC000111131725 186356542 /nfs/dbraw/zinc/35/65/42/186356542.db2.gz BJNSUSRLBDCNRJ-IAGOWNOFSA-N 2 0 293.455 2.357 10 0 CEAERP CC(C)Cc1ccc([C@@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111134698 186357292 /nfs/dbraw/zinc/35/72/92/186357292.db2.gz XXNKEAPFLFNELP-KRWDZBQOSA-N 2 0 277.456 2.378 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CC[NH+](C)C ZINC000111135528 186357358 /nfs/dbraw/zinc/35/73/58/186357358.db2.gz YDQHKVYUJZIDGU-SJORKVTESA-N 2 0 275.440 2.145 10 0 CEAERP C[NH2+][C@@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138383 186357506 /nfs/dbraw/zinc/35/75/06/186357506.db2.gz XINGFUBSYBUJSZ-NSHDSACASA-N 2 0 253.365 2.104 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccccc1C ZINC000111136174 186357598 /nfs/dbraw/zinc/35/75/98/186357598.db2.gz KWOPTWZRFIQVJA-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP C[NH2+][C@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138386 186357610 /nfs/dbraw/zinc/35/76/10/186357610.db2.gz XINGFUBSYBUJSZ-LLVKDONJSA-N 2 0 253.365 2.104 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111148236 186358593 /nfs/dbraw/zinc/35/85/93/186358593.db2.gz LBGXHPFTVWCDQM-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CCC(CC)(C[NH2+]C1CC1)CN(C)CC[NH+](C)C ZINC000111146613 186358960 /nfs/dbraw/zinc/35/89/60/186358960.db2.gz WFUMHRXEKFJVHP-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+]Cc1cc2ccccc2c(N(C)CCC[NH+](C)C)n1 ZINC000111149404 186359022 /nfs/dbraw/zinc/35/90/22/186359022.db2.gz DVOBQSBAABJNGK-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP CN(CCC[NH+](C)C)c1cc(C[NH3+])nc2ccccc21 ZINC000111149240 186359234 /nfs/dbraw/zinc/35/92/34/186359234.db2.gz QKJPNOPXSVBGLV-UHFFFAOYSA-N 2 0 272.396 2.081 10 0 CEAERP CCC[NH2+]Cc1c(C)cc(C)nc1N(C)CC[NH+](C)C ZINC000111149000 186359241 /nfs/dbraw/zinc/35/92/41/186359241.db2.gz KDUWOXLTWSLXEL-UHFFFAOYSA-N 2 0 278.444 2.196 10 0 CEAERP C[N@H+](C[C@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171478 186365259 /nfs/dbraw/zinc/36/52/59/186365259.db2.gz RRKSDEICSHNDRD-CYBMUJFWSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH+](CC)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111323676 186396702 /nfs/dbraw/zinc/39/67/02/186396702.db2.gz QZCIVFKZKRHFNZ-OAHLLOKOSA-N 2 0 256.434 2.371 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000111322145 186397950 /nfs/dbraw/zinc/39/79/50/186397950.db2.gz CVTKFUTYNSQKOF-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP COC1CC[NH+](C[C@]2(C[NH2+]C(C)(C)C)CCCOC2)CC1 ZINC000111325079 186399043 /nfs/dbraw/zinc/39/90/43/186399043.db2.gz FWMLAJNGBQZKGU-QGZVFWFLSA-N 2 0 298.471 2.282 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCCOC1 ZINC000111328867 186399490 /nfs/dbraw/zinc/39/94/90/186399490.db2.gz GWGRWUUWOSJOIY-IAGOWNOFSA-N 2 0 298.471 2.020 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N(C)CC[NH+]1CCCC1 ZINC000111482373 186422593 /nfs/dbraw/zinc/42/25/93/186422593.db2.gz WJONDYQFVBFXJC-UHFFFAOYSA-N 2 0 261.413 2.028 10 0 CEAERP CC(C)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562380 351415505 /nfs/dbraw/zinc/41/55/05/351415505.db2.gz MOJMMNJIPIFHKS-DCAQKATOSA-N 2 0 252.324 2.490 10 0 CEAERP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccccc1 ZINC000152411255 188016501 /nfs/dbraw/zinc/01/65/01/188016501.db2.gz YFWCJKSZOHIJMY-WBVHZDCISA-N 2 0 276.424 2.168 10 0 CEAERP c1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000252814517 540008718 /nfs/dbraw/zinc/00/87/18/540008718.db2.gz TYGNCEGFCRBGOZ-KRWDZBQOSA-N 2 0 285.435 2.002 10 0 CEAERP CCC(CC)[C@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C ZINC000094075615 364250494 /nfs/dbraw/zinc/25/04/94/364250494.db2.gz KQDQGMYNDWBYHL-NRXISQOPSA-N 2 0 255.450 2.212 10 0 CEAERP CCCCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000117880178 365129976 /nfs/dbraw/zinc/12/99/76/365129976.db2.gz LAZHBOUASUAFLF-CQSZACIVSA-N 2 0 256.434 2.201 10 0 CEAERP CCC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC000162312400 367151740 /nfs/dbraw/zinc/15/17/40/367151740.db2.gz BSBJZSGRWDWATN-CVEARBPZSA-N 2 0 295.471 2.051 10 0 CEAERP C[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631837631 367577573 /nfs/dbraw/zinc/57/75/73/367577573.db2.gz VISJGSYZZWGELQ-DOMZBBRYSA-N 2 0 255.365 2.261 10 0 CEAERP CC[NH+](CC)CCNc1c(N)c[nH+]cc1Br ZINC000215643560 370178513 /nfs/dbraw/zinc/17/85/13/370178513.db2.gz AWWANCRUGKMJNK-UHFFFAOYSA-N 2 0 287.205 2.180 10 0 CEAERP COCCCC[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195284052 370122853 /nfs/dbraw/zinc/12/28/53/370122853.db2.gz UBDAKXVRIIUSPG-KRWDZBQOSA-N 2 0 291.439 2.262 10 0 CEAERP C[N@H+](CCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000231668199 370486191 /nfs/dbraw/zinc/48/61/91/370486191.db2.gz DQTASGHLQNZSIU-INIZCTEOSA-N 2 0 274.408 2.238 10 0 CEAERP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000247970010 371152119 /nfs/dbraw/zinc/15/21/19/371152119.db2.gz IXNRRRANGGKUPG-DJIMGWMZSA-N 2 0 275.440 2.362 10 0 CEAERP OC[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183837 371604842 /nfs/dbraw/zinc/60/48/42/371604842.db2.gz SJXXRRJFVYVZSF-AWEZNQCLSA-N 2 0 294.826 2.134 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000261552008 371644017 /nfs/dbraw/zinc/64/40/17/371644017.db2.gz QXOUHAPFUINIMZ-ODIFPOPNSA-N 2 0 275.440 2.366 10 0 CEAERP C[NH2+]CC1CCN(c2cc[nH+]c(C)c2Cl)CC1 ZINC000261567508 371652546 /nfs/dbraw/zinc/65/25/46/371652546.db2.gz ZVNIFQDUHQTAEA-UHFFFAOYSA-N 2 0 253.777 2.479 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261792274 371734419 /nfs/dbraw/zinc/73/44/19/371734419.db2.gz GHFVTQIKRMWCOM-KCQAQPDRSA-N 2 0 278.371 2.394 10 0 CEAERP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000640015811 371736419 /nfs/dbraw/zinc/73/64/19/371736419.db2.gz OKWQLEGVYHQVOW-CABCVRRESA-N 2 0 268.445 2.344 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662487 371695969 /nfs/dbraw/zinc/69/59/69/371695969.db2.gz FFOBKGVELHJXLS-RAIGVLPGSA-N 2 0 273.336 2.104 10 0 CEAERP Cc1noc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261834275 371745334 /nfs/dbraw/zinc/74/53/34/371745334.db2.gz TYKNSUMXNDIOAU-WBVHZDCISA-N 2 0 285.391 2.466 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454150 373125481 /nfs/dbraw/zinc/12/54/81/373125481.db2.gz JALHTSLBIDHLKY-ARFHVFGLSA-N 3 0 269.477 2.475 10 0 CEAERP CC[C@@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280640141 375269814 /nfs/dbraw/zinc/26/98/14/375269814.db2.gz ZKRQDYUVAICEAQ-FGTMMUONSA-N 2 0 288.435 2.211 10 0 CEAERP O[C@H](C[NH2+]C(C1CCC1)C1CCC1)C[NH+]1CCCCC1 ZINC000325063341 376841670 /nfs/dbraw/zinc/84/16/70/376841670.db2.gz XZUQIDPPYZPPGU-MRXNPFEDSA-N 2 0 280.456 2.392 10 0 CEAERP CC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C2CC2)CC1 ZINC000085217775 184605213 /nfs/dbraw/zinc/60/52/13/184605213.db2.gz YPIACHBHDJYSTG-INIZCTEOSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+]CC[C@H](C[NH3+])c1cc(Br)cs1 ZINC000725269131 542374236 /nfs/dbraw/zinc/37/42/36/542374236.db2.gz LYXXKFCXKZLAQR-SSDOTTSWSA-N 2 0 263.204 2.162 10 0 CEAERP CCC1CC[NH+](CC[C@@H]2CCC[C@]2(CO)[NH2+]C)CC1 ZINC000093617926 184696580 /nfs/dbraw/zinc/69/65/80/184696580.db2.gz GWMOKHGVDQPNGS-JKSUJKDBSA-N 2 0 268.445 2.249 10 0 CEAERP CC[NH2+][C@@H]1[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)CCC1(C)C ZINC000094305978 184778246 /nfs/dbraw/zinc/77/82/46/184778246.db2.gz IWDUFCALXYQUEP-HRCADAONSA-N 2 0 279.472 2.323 10 0 CEAERP Cc1cc(N2CC[C@H]([NH+](C)C)C2)c([C@H](C)[NH3+])cc1F ZINC000094766615 184856659 /nfs/dbraw/zinc/85/66/59/184856659.db2.gz YQKVHDUJIVAMAQ-RYUDHWBXSA-N 2 0 265.376 2.294 10 0 CEAERP CCC[C@H](COC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000079740712 134492983 /nfs/dbraw/zinc/49/29/83/134492983.db2.gz ZRAMYSBJUCITPB-OAHLLOKOSA-N 2 0 277.412 2.455 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cc(CO)[nH+]c3ccccc32)C1 ZINC000091392679 135068373 /nfs/dbraw/zinc/06/83/73/135068373.db2.gz CLUVWCZCOCIYJN-CQSZACIVSA-N 2 0 285.391 2.258 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2c(C[NH3+])cnc3ccccc32)C1 ZINC000091393288 135068446 /nfs/dbraw/zinc/06/84/46/135068446.db2.gz VAVWOOAANCOEDW-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP CC[NH2+]Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000091427884 135069927 /nfs/dbraw/zinc/06/99/27/135069927.db2.gz LZGPOQABIDYKNJ-CYBMUJFWSA-N 2 0 296.846 2.375 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208900 135075827 /nfs/dbraw/zinc/07/58/27/135075827.db2.gz HSCUFMJABQSVQB-UKRRQHHQSA-N 2 0 291.826 2.365 10 0 CEAERP Cn1cc([C@@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cn1 ZINC000383291584 395184833 /nfs/dbraw/zinc/18/48/33/395184833.db2.gz LFNZOTPBWHHOGS-INIZCTEOSA-N 2 0 276.428 2.337 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000261659192 153800182 /nfs/dbraw/zinc/80/01/82/153800182.db2.gz KHGWRWHENQGSGM-MRXNPFEDSA-N 2 0 295.471 2.099 10 0 CEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000165116765 162342091 /nfs/dbraw/zinc/34/20/91/162342091.db2.gz SJWCYIMAOIUFED-OAGGEKHMSA-N 2 0 295.471 2.132 10 0 CEAERP NC(=[NH2+])c1cc2[nH]c(-c3ccccc3)cc2c(C(N)=[NH2+])c1 ZINC000006116685 170176947 /nfs/dbraw/zinc/17/69/47/170176947.db2.gz BUOYTFVLNZIELF-UHFFFAOYSA-N 2 0 277.331 2.403 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000020049245 170978904 /nfs/dbraw/zinc/97/89/04/170978904.db2.gz GKAPFAKUMXIWBZ-AWEZNQCLSA-N 2 0 291.439 2.386 10 0 CEAERP CCC[NH+]1CCC(NC[C@H](C(C)C)[NH+](C)C)CC1 ZINC000020145518 171030811 /nfs/dbraw/zinc/03/08/11/171030811.db2.gz WQTDDWJFOACAMV-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)C[C@](CC)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217719 171079640 /nfs/dbraw/zinc/07/96/40/171079640.db2.gz CBYXFOQSWRYYQD-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000020247183 171100301 /nfs/dbraw/zinc/10/03/01/171100301.db2.gz ILULMJNNQCXWFW-ZDUSSCGKSA-N 2 0 255.365 2.406 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362599 171161603 /nfs/dbraw/zinc/16/16/03/171161603.db2.gz KDSKRFCOCUSBGB-INIZCTEOSA-N 2 0 293.480 2.436 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000022154132 171361172 /nfs/dbraw/zinc/36/11/72/171361172.db2.gz VCGWWUYFTUGTGK-STQMWFEESA-N 2 0 275.396 2.347 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000037167002 173001168 /nfs/dbraw/zinc/00/11/68/173001168.db2.gz AGRSAGDYOYJRKT-VIYLOZMYSA-N 2 0 267.461 2.178 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCO2)CC1 ZINC000037210345 173032736 /nfs/dbraw/zinc/03/27/36/173032736.db2.gz CLQWFPUXCGFQAV-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)CC1 ZINC000037221294 173040075 /nfs/dbraw/zinc/04/00/75/173040075.db2.gz GBANVVFNLYCVKY-HOCLYGCPSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc(OC(C)C)c2)CC1 ZINC000040640928 174364299 /nfs/dbraw/zinc/36/42/99/174364299.db2.gz KROPQWSHIYWGEL-QGZVFWFLSA-N 2 0 291.439 2.111 10 0 CEAERP CCOC1CC[NH+](CCCOc2ccc(C[NH3+])cc2)CC1 ZINC000040678463 174374597 /nfs/dbraw/zinc/37/45/97/174374597.db2.gz JDILQSAMGXAFJC-UHFFFAOYSA-N 2 0 292.423 2.415 10 0 CEAERP CC[C@@H](CC(N)=S)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694050 174377997 /nfs/dbraw/zinc/37/79/97/174377997.db2.gz PCKUCUHZALAAPX-ZDUSSCGKSA-N 2 0 283.485 2.392 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCc1ccc(O)cc1)C2 ZINC000040734721 174389339 /nfs/dbraw/zinc/38/93/39/174389339.db2.gz LRPSLVRYFJWNHV-GOOCMWNKSA-N 2 0 260.381 2.150 10 0 CEAERP CCC[NH+]1CCC(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746567 174391677 /nfs/dbraw/zinc/39/16/77/174391677.db2.gz NUPYSXVITNPGRB-MZBDJJRSSA-N 2 0 265.445 2.076 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000040749269 174394153 /nfs/dbraw/zinc/39/41/53/174394153.db2.gz HCCPPISGGGVZCL-YOGCLGLASA-N 2 0 252.308 2.419 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC000040750309 174394866 /nfs/dbraw/zinc/39/48/66/174394866.db2.gz WBKXMNYIYXDUPE-ZXFUBFMLSA-N 2 0 282.391 2.326 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](CO)CC(C)C)CC1 ZINC000040775333 174402651 /nfs/dbraw/zinc/40/26/51/174402651.db2.gz LUFSPWBZPUKXAF-HOCLYGCPSA-N 2 0 270.461 2.494 10 0 CEAERP COc1ccccc1[C@@H](C[NH3+])N(CC[NH+](C)C)CC(C)C ZINC000042744903 174863945 /nfs/dbraw/zinc/86/39/45/174863945.db2.gz CJDBSABSQYVPAC-MRXNPFEDSA-N 2 0 293.455 2.215 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000042915198 174914700 /nfs/dbraw/zinc/91/47/00/174914700.db2.gz UEXGWYOPTWLTTR-GUYCJALGSA-N 2 0 291.414 2.242 10 0 CEAERP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000043036480 174951191 /nfs/dbraw/zinc/95/11/91/174951191.db2.gz YTCCCSJLDBDJNH-CRAIPNDOSA-N 2 0 287.451 2.411 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335712 175010987 /nfs/dbraw/zinc/01/09/87/175010987.db2.gz YJALSJBINKGDEM-OCCSQVGLSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CC[NH+](C)CC1 ZINC000043363796 175024146 /nfs/dbraw/zinc/02/41/46/175024146.db2.gz SWEWWNCYVCGELL-HOCLYGCPSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](CC2CC2)CC1 ZINC000043364842 175025214 /nfs/dbraw/zinc/02/52/14/175025214.db2.gz JIYCWECETZMUAW-RDJZCZTQSA-N 2 0 291.439 2.394 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N(C)C1CC[NH+](CC)CC1)C(F)(F)F ZINC000043379169 175030939 /nfs/dbraw/zinc/03/09/39/175030939.db2.gz OBYPDYUHPFSFSU-NWDGAFQWSA-N 2 0 281.366 2.071 10 0 CEAERP CCC[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805404 175107603 /nfs/dbraw/zinc/10/76/03/175107603.db2.gz PHASOLJWIMFPIO-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806115 175108416 /nfs/dbraw/zinc/10/84/16/175108416.db2.gz XOXNLNWXRFOBSM-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000043810381 175109518 /nfs/dbraw/zinc/10/95/18/175109518.db2.gz BFDGIUFAJXPZHP-GOSISDBHSA-N 2 0 283.419 2.348 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818564 175114094 /nfs/dbraw/zinc/11/40/94/175114094.db2.gz APBRFWDMSNIVBF-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896905 175119865 /nfs/dbraw/zinc/11/98/65/175119865.db2.gz WGXHTUBNZKYTRK-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000043967561 175128411 /nfs/dbraw/zinc/12/84/11/175128411.db2.gz YWZJGZIWSFXECV-QGZVFWFLSA-N 2 0 273.424 2.036 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970827 175131876 /nfs/dbraw/zinc/13/18/76/175131876.db2.gz LKKMXHZRHDQXET-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C(CC)(CC)C[NH3+] ZINC000044762224 175246191 /nfs/dbraw/zinc/24/61/91/175246191.db2.gz KDFQPSCLZUTYDG-AWEZNQCLSA-N 2 0 285.476 2.378 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)C[NH+]1CCCC1 ZINC000044805769 175256567 /nfs/dbraw/zinc/25/65/67/175256567.db2.gz SHRZRDCPARVPTF-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[C@@H](C)[NH2+]C[C@@H](C)C2)C1 ZINC000045136759 175314209 /nfs/dbraw/zinc/31/42/09/175314209.db2.gz ZHVKZMNCSVMJLS-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](C)C1)C(N)=O ZINC000045377215 175367148 /nfs/dbraw/zinc/36/71/48/175367148.db2.gz PXOZJBYUUGAOAO-ZBFHGGJFSA-N 2 0 283.460 2.131 10 0 CEAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045387996 175373797 /nfs/dbraw/zinc/37/37/97/175373797.db2.gz NBIDKSLPNNIUFY-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390679 175374843 /nfs/dbraw/zinc/37/48/43/175374843.db2.gz QGXHSPDXNSNMRS-MRXNPFEDSA-N 2 0 281.444 2.027 10 0 CEAERP CC[C@H]1C[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000070368276 175898031 /nfs/dbraw/zinc/89/80/31/175898031.db2.gz SUTSQUPPDCUVQM-PMPSAXMXSA-N 2 0 266.429 2.408 10 0 CEAERP C[C@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148946 176044653 /nfs/dbraw/zinc/04/46/53/176044653.db2.gz KKMRDXFNGYJLRE-LSDHHAIUSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000071162230 176046508 /nfs/dbraw/zinc/04/65/08/176046508.db2.gz FOTZLLXPPYRMDP-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071188078 176061148 /nfs/dbraw/zinc/06/11/48/176061148.db2.gz WIHSVILRDFNKRT-WFASDCNBSA-N 2 0 281.831 2.223 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187916 176062149 /nfs/dbraw/zinc/06/21/49/176062149.db2.gz AHKUXAKTXWDQHC-GZBFAFLISA-N 2 0 281.469 2.328 10 0 CEAERP CCC[C@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190582 176067210 /nfs/dbraw/zinc/06/72/10/176067210.db2.gz DBCAKVYFWDOSGU-ZJIFWQFVSA-N 2 0 268.445 2.200 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191482 176069644 /nfs/dbraw/zinc/06/96/44/176069644.db2.gz IALNHECVYJLSRI-CVEARBPZSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191399 176070402 /nfs/dbraw/zinc/07/04/02/176070402.db2.gz OYVKOTMVUPMOHS-ZACQAIPSSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)CN(CC[NH+](C)C)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267930 176101910 /nfs/dbraw/zinc/10/19/10/176101910.db2.gz ASMBCGMOLGBEJQ-UHFFFAOYSA-N 2 0 294.418 2.129 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000071268602 176102101 /nfs/dbraw/zinc/10/21/01/176102101.db2.gz NYLHJROVSFMBKS-CQSZACIVSA-N 2 0 259.328 2.061 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1CC[NH+]1CCCCC1 ZINC000071269010 176102993 /nfs/dbraw/zinc/10/29/93/176102993.db2.gz XVCGOBWISGURHC-UHFFFAOYSA-N 2 0 261.344 2.453 10 0 CEAERP Cc1ccc(OCC[NH+]2CCCCC2)c(CC[NH3+])c1 ZINC000071411215 176157201 /nfs/dbraw/zinc/15/72/01/176157201.db2.gz OFLCDKZRUMZAFM-UHFFFAOYSA-N 2 0 262.397 2.361 10 0 CEAERP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000659851451 415731071 /nfs/dbraw/zinc/73/10/71/415731071.db2.gz HYBDHFHJAPXTCR-HOTGVXAUSA-N 2 0 268.445 2.201 10 0 CEAERP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000078005568 177316747 /nfs/dbraw/zinc/31/67/47/177316747.db2.gz KDUIFNBUBDQXBF-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)CC[C@@H](CC)CC[NH3+])CC1 ZINC000079211140 177447420 /nfs/dbraw/zinc/44/74/20/177447420.db2.gz CQZYZHHBGFZHEW-OAHLLOKOSA-N 2 0 297.487 2.474 10 0 CEAERP COc1ccc(OCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000667007653 419512214 /nfs/dbraw/zinc/51/22/14/419512214.db2.gz JIMAWNAPWNKOFV-ZIAGYGMSSA-N 2 0 278.396 2.052 10 0 CEAERP CCCn1nccc1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261758869 276297968 /nfs/dbraw/zinc/29/79/68/276297968.db2.gz CTMXZIHRSVYXBO-OAHLLOKOSA-N 2 0 290.455 2.472 10 0 CEAERP CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142201 277216275 /nfs/dbraw/zinc/21/62/75/277216275.db2.gz GTWIVWFVWIMDBV-JKSUJKDBSA-N 2 0 298.471 2.113 10 0 CEAERP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000261553666 277296455 /nfs/dbraw/zinc/29/64/55/277296455.db2.gz ALDBSGGSDAOQFU-APIJFGDWSA-N 2 0 254.418 2.454 10 0 CEAERP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263130818 278301246 /nfs/dbraw/zinc/30/12/46/278301246.db2.gz BPMGJUKTUQBSNR-JYVUQVBGSA-N 2 0 268.445 2.009 10 0 CEAERP C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000123821358 290148736 /nfs/dbraw/zinc/14/87/36/290148736.db2.gz SMBYAGABOUNUMB-LSDHHAIUSA-N 2 0 254.418 2.098 10 0 CEAERP [NH3+][C@@H]1CCC[C@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237973739 295311157 /nfs/dbraw/zinc/31/11/57/295311157.db2.gz WTEKHRDOOFFZDL-JKSUJKDBSA-N 2 0 295.471 2.276 10 0 CEAERP C[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219032 314253801 /nfs/dbraw/zinc/25/38/01/314253801.db2.gz UUAIHGDLDFVKIB-OAGGEKHMSA-N 2 0 267.461 2.086 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)CC2CC2)CCOCC1 ZINC000052182152 519719956 /nfs/dbraw/zinc/71/99/56/519719956.db2.gz ODEXIHTZYNNQHC-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP CCCC1CCN([C@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000050893249 519903275 /nfs/dbraw/zinc/90/32/75/519903275.db2.gz LDPNCCZGLWDUHA-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083083 519929374 /nfs/dbraw/zinc/92/93/74/519929374.db2.gz YMNALNFGYQITHG-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)CC)on1 ZINC000052547323 519945310 /nfs/dbraw/zinc/94/53/10/519945310.db2.gz WSCVNMRJRYFBNE-ZDUSSCGKSA-N 2 0 283.416 2.421 10 0 CEAERP CCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)C1 ZINC000052372117 520320127 /nfs/dbraw/zinc/32/01/27/520320127.db2.gz AQRBCESKARMKKX-LSDHHAIUSA-N 2 0 256.434 2.369 10 0 CEAERP CCO[C@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052372266 520526696 /nfs/dbraw/zinc/52/66/96/520526696.db2.gz LQDYTDUIVYABMZ-ZFWWWQNUSA-N 2 0 254.418 2.408 10 0 CEAERP CCCc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH3+] ZINC000054997448 521531104 /nfs/dbraw/zinc/53/11/04/521531104.db2.gz QNPGJHSORIDCJR-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547303 522092598 /nfs/dbraw/zinc/09/25/98/522092598.db2.gz MIMTXQYDRJOPTJ-LLVKDONJSA-N 2 0 254.374 2.294 10 0 CEAERP CC(C)(C)[NH2+]CCCCC[NH+]1CCN(C2CC2)CC1 ZINC000052371377 518755227 /nfs/dbraw/zinc/75/52/27/518755227.db2.gz UIRDPOXZFWCRCT-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)(C)[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763315 518762740 /nfs/dbraw/zinc/76/27/40/518762740.db2.gz DUPCWDOCPHMLLL-WBVHZDCISA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)(C)[NH2+]Cc1nccn1CC[NH+]1CCCCC1 ZINC000051015382 518768442 /nfs/dbraw/zinc/76/84/42/518768442.db2.gz DDPLVIYKNSMUFS-UHFFFAOYSA-N 2 0 264.417 2.257 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000049560737 519337870 /nfs/dbraw/zinc/33/78/70/519337870.db2.gz OKJFDNNLTIDTRE-OAHLLOKOSA-N 2 0 292.427 2.243 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000055077321 519727592 /nfs/dbraw/zinc/72/75/92/519727592.db2.gz JYHDYSIWXXGGEG-DZGCQCFKSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccccc2F)[C@H](C)[NH3+])CC1 ZINC000055077403 519728052 /nfs/dbraw/zinc/72/80/52/519728052.db2.gz WIFHVSVJEVCZAG-YOEHRIQHSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078705 519728332 /nfs/dbraw/zinc/72/83/32/519728332.db2.gz URDBDEHJLFPFOC-ULQDDVLXSA-N 2 0 281.488 2.412 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763385 519742999 /nfs/dbraw/zinc/74/29/99/519742999.db2.gz JJEXTNUGBKRHDW-OAHLLOKOSA-N 2 0 270.461 2.495 10 0 CEAERP CC(C)C[NH2+]CCCN(CC[NH+](C)C)CC(C)C ZINC000052503308 519743550 /nfs/dbraw/zinc/74/35/50/519743550.db2.gz PTGZUMRHCFFIBM-UHFFFAOYSA-N 2 0 257.466 2.142 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480100 519743536 /nfs/dbraw/zinc/74/35/36/519743536.db2.gz RSMISRDHJDCELM-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371234 519745748 /nfs/dbraw/zinc/74/57/48/519745748.db2.gz QHLJMMILUWVWAL-MRXNPFEDSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311271 519745998 /nfs/dbraw/zinc/74/59/98/519745998.db2.gz GATVMERHEVJXSE-CQSZACIVSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479537 519746403 /nfs/dbraw/zinc/74/64/03/519746403.db2.gz PPRFEBRMZUDHPK-SJORKVTESA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](CC(C)C)C(C)C)nn1 ZINC000052572602 519748098 /nfs/dbraw/zinc/74/80/98/519748098.db2.gz HKGNSNJMCOKSGT-UHFFFAOYSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903678 519748518 /nfs/dbraw/zinc/74/85/18/519748518.db2.gz IHKUYIBVXYMDRN-UHFFFAOYSA-N 2 0 296.484 2.419 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050948493 519843108 /nfs/dbraw/zinc/84/31/08/519843108.db2.gz ORROUARMENWMFB-HNNXBMFYSA-N 2 0 295.471 2.242 10 0 CEAERP CCC[NH+]1CCC(N[C@@H](C[NH+](C)C)C(C)C)CC1 ZINC000049195267 519847036 /nfs/dbraw/zinc/84/70/36/519847036.db2.gz WTEPHXYEJKKDJW-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052347074 519859185 /nfs/dbraw/zinc/85/91/85/519859185.db2.gz RNLOLMBJSUONPU-HOTGVXAUSA-N 2 0 266.429 2.408 10 0 CEAERP CCCC1CC[NH+](CCC[C@@](C)([NH2+]CC)C(N)=O)CC1 ZINC000050905787 519900734 /nfs/dbraw/zinc/90/07/34/519900734.db2.gz DXLKNSKKLMCEGO-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@H+](CC)C1 ZINC000054602139 519910158 /nfs/dbraw/zinc/91/01/58/519910158.db2.gz QGZXUENHSSYQRO-MGNMYUMUSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)C[C@H](C)CC)CCOCC1 ZINC000052181436 519911951 /nfs/dbraw/zinc/91/19/51/519911951.db2.gz ONJNPPQPNFQOGW-CQSZACIVSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483148 519925544 /nfs/dbraw/zinc/92/55/44/519925544.db2.gz ZIMLLTGVLDHPGN-DLBZAZTESA-N 2 0 291.439 2.103 10 0 CEAERP CCC[NH2+]C[C@H](C)CN(C)C1CC[NH+](CC)CC1 ZINC000052543972 519930131 /nfs/dbraw/zinc/93/01/31/519930131.db2.gz YJAYIFSVJJZNLO-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)Cc2ccncc2)O1 ZINC000052515070 519979710 /nfs/dbraw/zinc/97/97/10/519979710.db2.gz ZZASOWSJBWCSAO-HZPDHXFCSA-N 2 0 277.412 2.061 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)COC)cc1 ZINC000052572426 519995359 /nfs/dbraw/zinc/99/53/59/519995359.db2.gz SEDBFOAGSPLCSP-OAHLLOKOSA-N 2 0 294.439 2.279 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)COC)cc1 ZINC000052511847 519995383 /nfs/dbraw/zinc/99/53/83/519995383.db2.gz KBSWDXKOUGAPAV-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]Cc1ccc(OCC[NH+]2CCSCC2)cc1 ZINC000052425605 520000108 /nfs/dbraw/zinc/00/01/08/520000108.db2.gz KJKJZTPHPIZARS-UHFFFAOYSA-N 2 0 280.437 2.224 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)[C@H](C)COC)c1 ZINC000052511405 520003248 /nfs/dbraw/zinc/00/32/48/520003248.db2.gz DTFUQKRDHRUPIB-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000052476741 520008507 /nfs/dbraw/zinc/00/85/07/520008507.db2.gz RAXIKXOUYQFQPJ-KBPBESRZSA-N 2 0 262.397 2.405 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069074201 520009767 /nfs/dbraw/zinc/00/97/67/520009767.db2.gz WCORFJXDLDTGSC-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H](C)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066137 520061393 /nfs/dbraw/zinc/06/13/93/520061393.db2.gz ALKONKZKALZNQY-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H](C)CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062979083 520061652 /nfs/dbraw/zinc/06/16/52/520061652.db2.gz GJDJASFCESMYLR-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H](CC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065064 520067283 /nfs/dbraw/zinc/06/72/83/520067283.db2.gz ATKIASZSESJOOI-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066070 520094457 /nfs/dbraw/zinc/09/44/57/520094457.db2.gz AFVGASNFJIYJMV-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCc2nc(N3CCC[N@H+](C)CC3)sc21 ZINC000054899118 520216079 /nfs/dbraw/zinc/21/60/79/520216079.db2.gz DNPXSBPBTRETPK-LBPRGKRZSA-N 2 0 294.468 2.272 10 0 CEAERP CCCCC[C@H](C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000055064799 520311870 /nfs/dbraw/zinc/31/18/70/520311870.db2.gz USVWQZGPLUFCAK-HUUCEWRRSA-N 2 0 255.450 2.310 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])oc2C)C1 ZINC000052372229 520318954 /nfs/dbraw/zinc/31/89/54/520318954.db2.gz AYSLZTGOFDQCPA-CYBMUJFWSA-N 2 0 252.358 2.048 10 0 CEAERP CCCOc1ccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000052919928 520417942 /nfs/dbraw/zinc/41/79/42/520417942.db2.gz CDGFPXSQRAUPSI-QGZVFWFLSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000068878913 520631807 /nfs/dbraw/zinc/63/18/07/520631807.db2.gz SMVZWOXBMVIFQW-GHMZBOCLSA-N 2 0 270.339 2.010 10 0 CEAERP CC[NH+](CC)C[C@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206270 520734705 /nfs/dbraw/zinc/73/47/05/520734705.db2.gz YOKBOLQQXFNSOU-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)C[C@H](C)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053034620 520728667 /nfs/dbraw/zinc/72/86/67/520728667.db2.gz OLEMAGHUILTIBO-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763309 520908871 /nfs/dbraw/zinc/90/88/71/520908871.db2.gz MRVUCFNKLCWGLA-CABCVRRESA-N 2 0 256.434 2.249 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075948 521060113 /nfs/dbraw/zinc/06/01/13/521060113.db2.gz WIRWXPSIZIEATE-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCOc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643103 521228355 /nfs/dbraw/zinc/22/83/55/521228355.db2.gz SRRQODUQZAHDFF-NVXWUHKLSA-N 2 0 291.439 2.111 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000069380857 521253170 /nfs/dbraw/zinc/25/31/70/521253170.db2.gz RLADSAXDBBFTQW-HUUCEWRRSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[C@]1(C(=O)N2CCC([NH+](CC)CC)CC2)CC[NH2+]C1 ZINC000062896543 521299515 /nfs/dbraw/zinc/29/95/15/521299515.db2.gz QXAIYKFMEPYCTQ-KRWDZBQOSA-N 2 0 295.471 2.099 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883651 521656506 /nfs/dbraw/zinc/65/65/06/521656506.db2.gz BFRHNCGZPGSYSR-MRXNPFEDSA-N 2 0 263.429 2.134 10 0 CEAERP C[NH2+]CCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417338 521991509 /nfs/dbraw/zinc/99/15/09/521991509.db2.gz URCJKORWHSFRNH-UHFFFAOYSA-N 2 0 261.413 2.198 10 0 CEAERP C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CC(C)C)CC1 ZINC000055075690 522078697 /nfs/dbraw/zinc/07/86/97/522078697.db2.gz WUHADERRWURAOB-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCCN(C)CC1 ZINC000052424321 522101623 /nfs/dbraw/zinc/10/16/23/522101623.db2.gz YQWCGWUGHIYJAS-UHFFFAOYSA-N 2 0 287.407 2.290 10 0 CEAERP C[NH+](C)[C@H]1CCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069374975 522101958 /nfs/dbraw/zinc/10/19/58/522101958.db2.gz QQRXGFXOFKETAO-CPCZMJQVSA-N 2 0 293.377 2.072 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055072424 522120227 /nfs/dbraw/zinc/12/02/27/522120227.db2.gz YWOVBCBHZKTBKE-KGLIPLIRSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000055071823 522123736 /nfs/dbraw/zinc/12/37/36/522123736.db2.gz JQEBBDYRKQWXAV-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065324 522123843 /nfs/dbraw/zinc/12/38/43/522123843.db2.gz FKSPYTBBGXVPAS-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654706 522188905 /nfs/dbraw/zinc/18/89/05/522188905.db2.gz NQWXBMXYFYZKJO-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N(C)CC[NH+]1CCCC1 ZINC000063054193 522194283 /nfs/dbraw/zinc/19/42/83/522194283.db2.gz CCNMGIQSRQJIKB-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H](C)c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054905644 522454194 /nfs/dbraw/zinc/45/41/94/522454194.db2.gz DVTCLZRXGHKLJF-GFCCVEGCSA-N 2 0 294.468 2.488 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477571 522548476 /nfs/dbraw/zinc/54/84/76/522548476.db2.gz UPVGLQXURAHUTL-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@H+](CCCCC[NH2+]C1CC1)CCc1ccncc1 ZINC000052483135 522731233 /nfs/dbraw/zinc/73/12/33/522731233.db2.gz FIMOADOGZXJESX-UHFFFAOYSA-N 2 0 261.413 2.478 10 0 CEAERP COCC1CC[NH+](CCCC[C@](C)(CO)[NH2+]C2CC2)CC1 ZINC000070335632 522933910 /nfs/dbraw/zinc/93/39/10/522933910.db2.gz RIKVFMOVOVCMRU-QGZVFWFLSA-N 2 0 298.471 2.018 10 0 CEAERP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052346360 523227155 /nfs/dbraw/zinc/22/71/55/523227155.db2.gz QBEVSVZHWVIKQR-ZIAGYGMSSA-N 2 0 268.788 2.278 10 0 CEAERP COCCC[N@H+](CCOC)[C@@H](C)CCC[NH2+]C(C)C ZINC000052543281 523259273 /nfs/dbraw/zinc/25/92/73/523259273.db2.gz QGZWOTUUDZVWJQ-HNNXBMFYSA-N 2 0 274.449 2.138 10 0 CEAERP CO[C@@H]1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000070337800 523647792 /nfs/dbraw/zinc/64/77/92/523647792.db2.gz JLORZEDWKSDNSQ-XHSDSOJGSA-N 2 0 266.429 2.408 10 0 CEAERP COCC[N@H+](Cc1ccoc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052572351 523771131 /nfs/dbraw/zinc/77/11/31/523771131.db2.gz RNOVSTURMPAPLO-CQSZACIVSA-N 2 0 298.427 2.261 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072510 523955453 /nfs/dbraw/zinc/95/54/53/523955453.db2.gz YSQOFTTZKANLOX-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+]([C@H](C)CC)CC2)o1 ZINC000055064343 524028808 /nfs/dbraw/zinc/02/88/08/524028808.db2.gz YFAGYFKYJUKQLV-UKRRQHHQSA-N 2 0 279.428 2.258 10 0 CEAERP Cc1cc(CN2CCC[C@H]2C[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000061654760 524689082 /nfs/dbraw/zinc/68/90/82/524689082.db2.gz SMOYBDPSIANXLH-HNNXBMFYSA-N 2 0 291.439 2.366 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642146 524839220 /nfs/dbraw/zinc/83/92/20/524839220.db2.gz PRMOUYBHCYUCSW-SCRDCRAPSA-N 2 0 267.442 2.162 10 0 CEAERP C[C@@H]([NH3+])c1ccc(F)cc1OCC[NH+]1CCCC1 ZINC000062745339 525026362 /nfs/dbraw/zinc/02/63/62/525026362.db2.gz ZFTGFDMFTOBQSP-LLVKDONJSA-N 2 0 252.333 2.320 10 0 CEAERP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087222 525095919 /nfs/dbraw/zinc/09/59/19/525095919.db2.gz XYPVQOAPDNITGI-FMKPAKJESA-N 2 0 274.408 2.168 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643491 525423248 /nfs/dbraw/zinc/42/32/48/525423248.db2.gz IRQAVBJQASITFA-GDBMZVCRSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052684817 526020274 /nfs/dbraw/zinc/02/02/74/526020274.db2.gz RHVNETGXFISIEE-CZUORRHYSA-N 2 0 261.413 2.101 10 0 CEAERP Cc1oc(C[NH3+])cc1CN(CC[NH+](C)C)CC(C)C ZINC000052503347 526768391 /nfs/dbraw/zinc/76/83/91/526768391.db2.gz YWJRVQHRQRMEKU-UHFFFAOYSA-N 2 0 267.417 2.066 10 0 CEAERP [NH3+]CCC[N@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000049310708 527178924 /nfs/dbraw/zinc/17/89/24/527178924.db2.gz AKFUQGDFVHEIMG-UHFFFAOYSA-N 2 0 268.323 2.159 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@H]3CCCC[C@H]32)O1 ZINC000052482568 527239233 /nfs/dbraw/zinc/23/92/33/527239233.db2.gz CEJLHOJJERHEMC-APIJFGDWSA-N 2 0 252.402 2.147 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000052443903 527239805 /nfs/dbraw/zinc/23/98/05/527239805.db2.gz OSTLHPKKGUYCSM-MSOLQXFVSA-N 2 0 288.435 2.447 10 0 CEAERP [NH3+]Cc1ccccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062976934 527260157 /nfs/dbraw/zinc/26/01/57/527260157.db2.gz MZRBLKJUPGENBK-OAHLLOKOSA-N 2 0 259.397 2.210 10 0 CEAERP CC[NH2+]Cc1cc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccn1 ZINC000094443300 535478602 /nfs/dbraw/zinc/47/86/02/535478602.db2.gz SDAIFYAHFGANHX-YOEHRIQHSA-N 2 0 288.439 2.254 10 0 CEAERP COc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000093221022 537125148 /nfs/dbraw/zinc/12/51/48/537125148.db2.gz FGIJYTKFOHOSAC-LSDHHAIUSA-N 2 0 289.423 2.087 10 0 CEAERP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000096947337 185136650 /nfs/dbraw/zinc/13/66/50/185136650.db2.gz PMVFAIGKUCMDTQ-IRXDYDNUSA-N 2 0 267.376 2.398 10 0 CEAERP CCN1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502606 361995873 /nfs/dbraw/zinc/99/58/73/361995873.db2.gz IMXXKKMAMHGHFX-MRXNPFEDSA-N 2 0 288.439 2.124 10 0 CEAERP CCC1(C)CC[NH+]([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264607 539212730 /nfs/dbraw/zinc/21/27/30/539212730.db2.gz YDPXNNSDDFMCBN-KBPBESRZSA-N 2 0 266.429 2.395 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)CC2([NH3+])CCCC2)([NH+](C)C)C1 ZINC000084183883 178817968 /nfs/dbraw/zinc/81/79/68/178817968.db2.gz UKFLJUJGTITJHX-RHSMWYFYSA-N 2 0 295.471 2.275 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368422 179037991 /nfs/dbraw/zinc/03/79/91/179037991.db2.gz QICKJQTXKOVNAA-HZPDHXFCSA-N 2 0 297.487 2.330 10 0 CEAERP CC[NH2+]CCc1ccc(COC2CC[NH+](C)CC2)cc1 ZINC000097807741 185670396 /nfs/dbraw/zinc/67/03/96/185670396.db2.gz WLHBLAMTCBQHSR-UHFFFAOYSA-N 2 0 276.424 2.449 10 0 CEAERP CC(C)NC(=O)CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403557 179053212 /nfs/dbraw/zinc/05/32/12/179053212.db2.gz PHIUYMMMCPLZOJ-MRXNPFEDSA-N 2 0 295.471 2.145 10 0 CEAERP CC[NH+](CC)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085569384 179096475 /nfs/dbraw/zinc/09/64/75/179096475.db2.gz AZMQDCHMDKSSOY-UHFFFAOYSA-N 2 0 278.444 2.168 10 0 CEAERP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085620433 179105598 /nfs/dbraw/zinc/10/55/98/179105598.db2.gz SYOMWRBOJJZKGW-MNOVXSKESA-N 2 0 268.323 2.028 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000085810298 179177355 /nfs/dbraw/zinc/17/73/55/179177355.db2.gz NOWVNCFNVKVNKQ-XQQFMLRXSA-N 2 0 275.396 2.345 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@H](C(C)(C)C)C2)CC1 ZINC000086145705 179238503 /nfs/dbraw/zinc/23/85/03/179238503.db2.gz FHAVKFHROABFPD-HNNXBMFYSA-N 2 0 267.461 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086143083 179237472 /nfs/dbraw/zinc/23/74/72/179237472.db2.gz PEMWAVNRQTVVTM-ZWKOTPCHSA-N 2 0 287.451 2.291 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086146541 179238365 /nfs/dbraw/zinc/23/83/65/179238365.db2.gz SYEOVLQVNIEKDI-GJZGRUSLSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173728 179244760 /nfs/dbraw/zinc/24/47/60/179244760.db2.gz AFLHUGRBBIJFPQ-IXDOHACOSA-N 2 0 281.488 2.283 10 0 CEAERP C[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086172097 179244861 /nfs/dbraw/zinc/24/48/61/179244861.db2.gz XLAQOGSEGPKNAC-OIISXLGYSA-N 2 0 273.424 2.116 10 0 CEAERP C[C@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086174300 179245649 /nfs/dbraw/zinc/24/56/49/179245649.db2.gz ULKGADNLNFBVNH-FUHWJXTLSA-N 2 0 289.467 2.233 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146568 179238898 /nfs/dbraw/zinc/23/88/98/179238898.db2.gz PDSJBLLTBCWNEN-JKSUJKDBSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182759 179248048 /nfs/dbraw/zinc/24/80/48/179248048.db2.gz HOIRAECIJNFGPE-DLBZAZTESA-N 2 0 291.483 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223102 179251190 /nfs/dbraw/zinc/25/11/90/179251190.db2.gz OKKXXQPCBDAVJH-RBSFLKMASA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@]1(C)CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259210 179257665 /nfs/dbraw/zinc/25/76/65/179257665.db2.gz BBDKCWVJMMOAJQ-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@H](C(C)(C)C)NC[C@@H]2C)CC1 ZINC000086259177 179258024 /nfs/dbraw/zinc/25/80/24/179258024.db2.gz DTDQEYVQGOFGJC-GOEBONIOSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259157 179258158 /nfs/dbraw/zinc/25/81/58/179258158.db2.gz FJDUOXKXZZCJMJ-SJORKVTESA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261097 179260233 /nfs/dbraw/zinc/26/02/33/179260233.db2.gz OWUYBXWUKYNHCL-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287085 179264358 /nfs/dbraw/zinc/26/43/58/179264358.db2.gz GFMRCZKLCPPUPS-AJNGGQMLSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287088 179264832 /nfs/dbraw/zinc/26/48/32/179264832.db2.gz YFWWJWLWBDMBJF-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288186 179264901 /nfs/dbraw/zinc/26/49/01/179264901.db2.gz RTFQFRBTWGMDAH-INIZCTEOSA-N 2 0 259.397 2.088 10 0 CEAERP CC[C@@]1(C)C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086258995 179256541 /nfs/dbraw/zinc/25/65/41/179256541.db2.gz LPDYRJAWIIYSAG-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258973 179256744 /nfs/dbraw/zinc/25/67/44/179256744.db2.gz JQOWBEIKTRDVAT-QAPCUYQASA-N 2 0 287.451 2.363 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259228 179257585 /nfs/dbraw/zinc/25/75/85/179257585.db2.gz ZPMGSGHRVSPUFL-JKSUJKDBSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086293032 179266336 /nfs/dbraw/zinc/26/63/36/179266336.db2.gz SDULZPVDRKKBQG-DOTOQJQBSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292982 179266499 /nfs/dbraw/zinc/26/64/99/179266499.db2.gz VFWWJQAFVIRVKE-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCCN[C@@H](c3ccccc3)C2)CC1 ZINC000086291474 179266937 /nfs/dbraw/zinc/26/69/37/179266937.db2.gz DLNQFVHYSHCBRC-GOSISDBHSA-N 2 0 287.451 2.365 10 0 CEAERP CC[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293360 179268148 /nfs/dbraw/zinc/26/81/48/179268148.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 3 0 255.450 2.181 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086397611 179285033 /nfs/dbraw/zinc/28/50/33/179285033.db2.gz OCYGAOSEJBBAER-NWDGAFQWSA-N 2 0 269.186 2.419 10 0 CEAERP COc1ccc(CC[NH2+][C@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817081 179344314 /nfs/dbraw/zinc/34/43/14/179344314.db2.gz CLCVWFKZMRKVGG-HNNXBMFYSA-N 2 0 262.397 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccc(C)o2)CC1 ZINC000086846957 179356543 /nfs/dbraw/zinc/35/65/43/179356543.db2.gz VSZLDEUFOZLYII-INIZCTEOSA-N 2 0 279.428 2.223 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847534 179356553 /nfs/dbraw/zinc/35/65/53/179356553.db2.gz YHLHKIXGBSWFHT-HNNXBMFYSA-N 2 0 285.501 2.017 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836702 179351025 /nfs/dbraw/zinc/35/10/25/179351025.db2.gz GGWIIWWGSYUUET-HOTGVXAUSA-N 2 0 284.444 2.036 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836406 179351240 /nfs/dbraw/zinc/35/12/40/179351240.db2.gz OKWFNLGEBPRBNC-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[C@H](CN(C)C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842884 179352617 /nfs/dbraw/zinc/35/26/17/179352617.db2.gz BZFFZXPRRGSJGU-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840484 179353648 /nfs/dbraw/zinc/35/36/48/179353648.db2.gz UNZPMYASGDISJK-LSDHHAIUSA-N 2 0 264.417 2.126 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851077 179359922 /nfs/dbraw/zinc/35/99/22/179359922.db2.gz JKAVJNHGKGSZKX-GDBMZVCRSA-N 3 0 267.461 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849654 179358491 /nfs/dbraw/zinc/35/84/91/179358491.db2.gz ZIGBMEURGPHNBJ-MRXNPFEDSA-N 2 0 281.444 2.029 10 0 CEAERP C1C[NH2+][C@H]([C@@H]2CCC[N@@H+]([C@@H]3CCCOCC3)C2)C1 ZINC000086876800 179365491 /nfs/dbraw/zinc/36/54/91/179365491.db2.gz RZEWNOUJWJJPTC-KFWWJZLASA-N 2 0 252.402 2.020 10 0 CEAERP C1C[NH2+][C@@H](C2CC[NH+]([C@@H]3CCCOCC3)CC2)C1 ZINC000086876868 179365534 /nfs/dbraw/zinc/36/55/34/179365534.db2.gz LFLLCMQJYANXEW-HUUCEWRRSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086891010 179366215 /nfs/dbraw/zinc/36/62/15/179366215.db2.gz SPBQEWKRQNLOHT-GDBMZVCRSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)[NH+]1CCN([C@@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890709 179366227 /nfs/dbraw/zinc/36/62/27/179366227.db2.gz XNUVWRVDFYMQAB-HOTGVXAUSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000086910563 179366860 /nfs/dbraw/zinc/36/68/60/179366860.db2.gz UFVSHQNKMRSUEL-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC1(C)CCC[C@@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913258 179366932 /nfs/dbraw/zinc/36/69/32/179366932.db2.gz QWVFTYWJIZSSTO-OAHLLOKOSA-N 2 0 254.418 2.397 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@](C)(O)CC)CC1 ZINC000087012015 179379388 /nfs/dbraw/zinc/37/93/88/179379388.db2.gz FGBFXXQVHRVBOP-ZFWWWQNUSA-N 2 0 256.434 2.248 10 0 CEAERP CCC(O)(CC)C[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000087015076 179380184 /nfs/dbraw/zinc/38/01/84/179380184.db2.gz HLIXJTHETJOICW-AWEZNQCLSA-N 2 0 256.434 2.390 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992004 179375545 /nfs/dbraw/zinc/37/55/45/179375545.db2.gz NBGJPGWWZBAGSY-HNNXBMFYSA-N 2 0 297.418 2.108 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087088926 179393594 /nfs/dbraw/zinc/39/35/94/179393594.db2.gz XXWPKYGJJNNMPL-HUUCEWRRSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+]C1(CC[NH2+][C@H]2CCC[C@H]2OC)CCCCC1 ZINC000087578559 179450018 /nfs/dbraw/zinc/45/00/18/179450018.db2.gz DILGEUDXNWQRFP-UONOGXRCSA-N 2 0 254.418 2.456 10 0 CEAERP COc1ccccc1OCC[N@@H+]1CCC[C@@H]1CCC[NH3+] ZINC000088415224 179595393 /nfs/dbraw/zinc/59/53/93/179595393.db2.gz BGSPUXAZWWGVFI-AWEZNQCLSA-N 2 0 278.396 2.277 10 0 CEAERP COCC1CC[NH+](CC[C@@H](C[NH3+])CC(C)C)CC1 ZINC000088291036 179575696 /nfs/dbraw/zinc/57/56/96/179575696.db2.gz QVGDDNGKIZUSCT-OAHLLOKOSA-N 2 0 256.434 2.356 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1F ZINC000400490715 233178809 /nfs/dbraw/zinc/17/88/09/233178809.db2.gz ZCZRBSBTLNGJGW-LOWVWBTDSA-N 2 0 266.360 2.483 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342605 233176789 /nfs/dbraw/zinc/17/67/89/233176789.db2.gz JDXFSBWLHGIFLG-RYQLBKOJSA-N 2 0 287.451 2.239 10 0 CEAERP CCCN(C1CC[NH+](C(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000104334098 185973819 /nfs/dbraw/zinc/97/38/19/185973819.db2.gz HEZKRTZOKAOIOE-INIZCTEOSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCCCCCC1 ZINC000090566081 180005197 /nfs/dbraw/zinc/00/51/97/180005197.db2.gz NTPVGRFCZRLWAX-GJZGRUSLSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567259 180006708 /nfs/dbraw/zinc/00/67/08/180006708.db2.gz SJYIHHKVLPGNBV-GDBMZVCRSA-N 2 0 266.429 2.027 10 0 CEAERP C[C@@]1(C[NH+]2CCC(Cc3ccccc3)CC2)COC[C@H]1[NH3+] ZINC000090606528 180011260 /nfs/dbraw/zinc/01/12/60/180011260.db2.gz BQCNMDZPIYTUQU-QZTJIDSGSA-N 2 0 288.435 2.305 10 0 CEAERP C[C@@H](C(=O)NC1CCCCC1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693371 180025288 /nfs/dbraw/zinc/02/52/88/180025288.db2.gz GSVCACQFMMGFRD-GJZGRUSLSA-N 2 0 295.471 2.288 10 0 CEAERP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694209 180026259 /nfs/dbraw/zinc/02/62/59/180026259.db2.gz SAPQWOCOVGVSBJ-OAHLLOKOSA-N 2 0 295.471 2.099 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090876273 180051784 /nfs/dbraw/zinc/05/17/84/180051784.db2.gz YWTJDRCWZQDSTH-MRXNPFEDSA-N 2 0 274.408 2.312 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090892550 180053634 /nfs/dbraw/zinc/05/36/34/180053634.db2.gz KVSGLYPLSHTJEA-OAHLLOKOSA-N 2 0 278.371 2.061 10 0 CEAERP CC[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CC[NH2+]CC1 ZINC000090894266 180056319 /nfs/dbraw/zinc/05/63/19/180056319.db2.gz ACQHMYQYXLZFFZ-OAHLLOKOSA-N 2 0 278.371 2.203 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]CCCC[NH+](C)C)O2 ZINC000090897864 180056902 /nfs/dbraw/zinc/05/69/02/180056902.db2.gz PJANBSPMQQOQHN-OAHLLOKOSA-N 2 0 262.397 2.230 10 0 CEAERP CC[N@H+](C[C@@H]1Cc2cc(C)ccc2O1)C1CC[NH2+]CC1 ZINC000090900039 180058786 /nfs/dbraw/zinc/05/87/86/180058786.db2.gz SBEHAPYMBZNSSL-INIZCTEOSA-N 2 0 274.408 2.372 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090900385 180058820 /nfs/dbraw/zinc/05/88/20/180058820.db2.gz KDCNIAFZFINWMM-YYIAUSFCSA-N 2 0 286.419 2.228 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900116 180059037 /nfs/dbraw/zinc/05/90/37/180059037.db2.gz PPKAXCSICBSBIM-RISCZKNCSA-N 2 0 280.799 2.185 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907812 180061945 /nfs/dbraw/zinc/06/19/45/180061945.db2.gz BAGHYOSXSXIFOM-SOUVJXGZSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[N@@H+]1CCO[C@@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994992 180082704 /nfs/dbraw/zinc/08/27/04/180082704.db2.gz GECZJQQSYGLDQJ-OAHLLOKOSA-N 2 0 287.407 2.209 10 0 CEAERP C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000091313709 180132507 /nfs/dbraw/zinc/13/25/07/180132507.db2.gz UVOLOQKWPMZGDW-RBSFLKMASA-N 2 0 252.402 2.020 10 0 CEAERP FC(F)c1c(C[NH2+]C2CC2)cnn1-c1cc[nH+]cc1 ZINC000091337099 180136273 /nfs/dbraw/zinc/13/62/73/180136273.db2.gz BGZUPSYUSRFHRG-UHFFFAOYSA-N 2 0 264.279 2.457 10 0 CEAERP C(CN1CCC([NH+]2CCCCC2)CC1)[C@H]1CSCC[NH2+]1 ZINC000091292050 180123488 /nfs/dbraw/zinc/12/34/88/180123488.db2.gz GDDQZQSJNFJOSV-HNNXBMFYSA-N 2 0 297.512 2.032 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000091450346 180157831 /nfs/dbraw/zinc/15/78/31/180157831.db2.gz GSISYKIDGURFEP-CQSZACIVSA-N 2 0 294.443 2.089 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091450418 180158015 /nfs/dbraw/zinc/15/80/15/180158015.db2.gz ZDRHNSHCQJHHAO-SWLSCSKDSA-N 2 0 290.411 2.264 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449822 180158258 /nfs/dbraw/zinc/15/82/58/180158258.db2.gz OJQGOMKYOPZZNL-LSDHHAIUSA-N 2 0 269.477 2.425 10 0 CEAERP C[NH2+][C@@H](CCN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091450252 180158282 /nfs/dbraw/zinc/15/82/82/180158282.db2.gz HBDCTFZXJROPTR-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+]C[C@](C)(CCC)C[N@H+](C)CC1CC(O)C1 ZINC000091498658 180173784 /nfs/dbraw/zinc/17/37/84/180173784.db2.gz VOPYQZOAAOZDDB-GPANFISMSA-N 2 0 270.461 2.495 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091498834 180174112 /nfs/dbraw/zinc/17/41/12/180174112.db2.gz CGNFCXIMUYEBBZ-KNIAUWFNSA-N 2 0 282.472 2.494 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091498836 180174123 /nfs/dbraw/zinc/17/41/23/180174123.db2.gz CGNFCXIMUYEBBZ-GRAKBVBRSA-N 2 0 282.472 2.494 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@](C)(C[NH3+])CCc2ccccc2)C1 ZINC000091393351 180145774 /nfs/dbraw/zinc/14/57/74/180145774.db2.gz VMAVXCSZCCWFJV-ZWKOTPCHSA-N 2 0 289.467 2.363 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394665 180145995 /nfs/dbraw/zinc/14/59/95/180145995.db2.gz UBGBHIWWSUFYEQ-AWEZNQCLSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000091404605 180147509 /nfs/dbraw/zinc/14/75/09/180147509.db2.gz QHAMLCMGLLNKFM-UONOGXRCSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427259 180152179 /nfs/dbraw/zinc/15/21/79/180152179.db2.gz KLRWCHLOINQYKV-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(CC)([C@@H]([NH2+]C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000091635071 180211648 /nfs/dbraw/zinc/21/16/48/180211648.db2.gz ZJPDSAWEYIUWRM-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP CC1CCC([C@H](N)Cc2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648755 180216659 /nfs/dbraw/zinc/21/66/59/180216659.db2.gz XILLZZNSWLJFLA-DSSZZKGTSA-N 2 0 276.428 2.044 10 0 CEAERP CC[NH+](CC)CC[C@@H](Cc1nn(C)c2ccccc12)[NH2+]C ZINC000091716052 180231974 /nfs/dbraw/zinc/23/19/74/180231974.db2.gz AGPMETQBHONQIJ-AWEZNQCLSA-N 2 0 288.439 2.436 10 0 CEAERP C[NH2+][C@H](C)c1sc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091722415 180240371 /nfs/dbraw/zinc/24/03/71/180240371.db2.gz ZVPPVAMOIFYNMU-YUSALJHKSA-N 2 0 281.425 2.268 10 0 CEAERP CCC[N@H+](CC(=O)N1CCCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091852387 180273031 /nfs/dbraw/zinc/27/30/31/180273031.db2.gz GZHSKWMACSCCHW-FHERZECASA-N 2 0 295.471 2.369 10 0 CEAERP C[N@H+](C[C@H]1Cc2cc(F)ccc2O1)C1CCC([NH3+])CC1 ZINC000091847640 180271219 /nfs/dbraw/zinc/27/12/19/180271219.db2.gz DDYSSKQKELTBCB-YMAMQOFZSA-N 2 0 278.371 2.331 10 0 CEAERP CC[N@H+](CCC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850637 180271718 /nfs/dbraw/zinc/27/17/18/180271718.db2.gz PNBHPTDCDFYZGR-UHFFFAOYSA-N 2 0 295.471 2.417 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)Cc2cc(C)nn2C)CC1 ZINC000091870199 180277457 /nfs/dbraw/zinc/27/74/57/180277457.db2.gz UTNBCBHNRSCSOW-UHFFFAOYSA-N 2 0 278.444 2.471 10 0 CEAERP CC[N@@H+]1CCO[C@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092060237 180314850 /nfs/dbraw/zinc/31/48/50/180314850.db2.gz KBOSHVHRCOUQNO-HNNXBMFYSA-N 2 0 279.428 2.097 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003325 180304528 /nfs/dbraw/zinc/30/45/28/180304528.db2.gz VZAFYSVMCLNJLX-CVEARBPZSA-N 2 0 288.439 2.253 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000092004694 180305825 /nfs/dbraw/zinc/30/58/25/180305825.db2.gz ORKBPGDYOYATOQ-OLZOCXBDSA-N 2 0 294.468 2.316 10 0 CEAERP C[C@H]1C[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C[C@H]1C ZINC000092088348 180321153 /nfs/dbraw/zinc/32/11/53/180321153.db2.gz VYXXIAPWQPJECQ-OKILXGFUSA-N 2 0 266.429 2.123 10 0 CEAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298012 180358659 /nfs/dbraw/zinc/35/86/59/180358659.db2.gz PCIWJSDOXUMQIJ-BFHYXJOUSA-N 2 0 260.381 2.222 10 0 CEAERP COc1ccc2c(c1)[C@H]([NH+]1CCC([NH3+])CC1)CCC2 ZINC000092387131 180374412 /nfs/dbraw/zinc/37/44/12/180374412.db2.gz RVJRPXNLHRQQBY-MRXNPFEDSA-N 2 0 260.381 2.496 10 0 CEAERP CC[NH+]1CCC(CNC2=[NH+][C@@H](C(C)C)CS2)CC1 ZINC000092402483 180377513 /nfs/dbraw/zinc/37/75/13/180377513.db2.gz VBEWIWCZCQUUSI-CYBMUJFWSA-N 2 0 269.458 2.435 10 0 CEAERP CNc1cc[nH+]c(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000092418988 180382316 /nfs/dbraw/zinc/38/23/16/180382316.db2.gz XUHLZGHPXYPDLY-UHFFFAOYSA-N 2 0 274.412 2.184 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CC[N@@H+]1C ZINC000107899640 186196164 /nfs/dbraw/zinc/19/61/64/186196164.db2.gz RLCDJJIBZCCTIX-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(Cl)c2)CC[N@@H+]1C ZINC000107899643 186196437 /nfs/dbraw/zinc/19/64/37/186196437.db2.gz RLCDJJIBZCCTIX-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP CCC[C@@H](Cc1nc(CC[NH+](CC)CC)no1)[NH2+]CC ZINC000109496159 186256491 /nfs/dbraw/zinc/25/64/91/186256491.db2.gz BPTZCTPHNWBEDX-ZDUSSCGKSA-N 2 0 282.432 2.275 10 0 CEAERP CN(c1cc(C[NH3+])nc2ccccc21)C1CC[NH+](C)CC1 ZINC000109587509 186264063 /nfs/dbraw/zinc/26/40/63/186264063.db2.gz HNINFDRRDKQKMN-UHFFFAOYSA-N 2 0 284.407 2.224 10 0 CEAERP [NH3+]C1(CN2CC[C@H]([NH+]3CCCCC3)C2)CCCCC1 ZINC000110371159 186294333 /nfs/dbraw/zinc/29/43/33/186294333.db2.gz FLTYKDGDKULLMA-HNNXBMFYSA-N 2 0 265.445 2.208 10 0 CEAERP CC[N@@H+]1CC[C@@H](Cn2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629659 186307687 /nfs/dbraw/zinc/30/76/87/186307687.db2.gz SYDFNHBPXXBVCX-SNVBAGLBSA-N 2 0 292.358 2.108 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629262 186307723 /nfs/dbraw/zinc/30/77/23/186307723.db2.gz GRVDDSBYJDBHAF-SNVBAGLBSA-N 2 0 292.358 2.251 10 0 CEAERP CCCN(CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000110945677 186335587 /nfs/dbraw/zinc/33/55/87/186335587.db2.gz OGLRRFPEIQEULA-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705026 186314037 /nfs/dbraw/zinc/31/40/37/186314037.db2.gz SAJYCYXCMQBRRW-TZMCWYRMSA-N 2 0 265.401 2.084 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716912 186315598 /nfs/dbraw/zinc/31/55/98/186315598.db2.gz WWRUKEHXXASRDA-ILXRZTDVSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716615 186316012 /nfs/dbraw/zinc/31/60/12/186316012.db2.gz GIUHMODRFGMGJH-IRXDYDNUSA-N 2 0 287.451 2.288 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000110711668 186316281 /nfs/dbraw/zinc/31/62/81/186316281.db2.gz UNIOWTUPNOEMDN-OAHLLOKOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716413 186316772 /nfs/dbraw/zinc/31/67/72/186316772.db2.gz ITWLNTWQYGAOBM-HOCLYGCPSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000110757571 186320204 /nfs/dbraw/zinc/32/02/04/186320204.db2.gz XVJNWPAKUYRJKC-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755303 186320532 /nfs/dbraw/zinc/32/05/32/186320532.db2.gz LRWAVEBEYQBXCQ-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH2+]Cc1coc(CN2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110751141 186321009 /nfs/dbraw/zinc/32/10/09/186321009.db2.gz CFSXHFKCUOJBME-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757969 186322034 /nfs/dbraw/zinc/32/20/34/186322034.db2.gz VEYBTLFNJSWPOB-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747261 186322124 /nfs/dbraw/zinc/32/21/24/186322124.db2.gz XXDZXIZSKKTLJP-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039848 186347157 /nfs/dbraw/zinc/34/71/57/186347157.db2.gz MQEASUUVKXAFKC-CQSZACIVSA-N 2 0 285.382 2.238 10 0 CEAERP CCOCC[N@H+](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000111123140 186354521 /nfs/dbraw/zinc/35/45/21/186354521.db2.gz MSQUNFZAGXAYFU-UHFFFAOYSA-N 2 0 286.460 2.140 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CCC[NH+](C)C ZINC000111131703 186355804 /nfs/dbraw/zinc/35/58/04/186355804.db2.gz WEROPPJDPFLLKE-NVXWUHKLSA-N 2 0 293.455 2.357 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111130741 186355994 /nfs/dbraw/zinc/35/59/94/186355994.db2.gz IMIKGTDZUGNIJY-HOCLYGCPSA-N 2 0 263.429 2.267 10 0 CEAERP CCCC1CCC(C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000111132852 186356039 /nfs/dbraw/zinc/35/60/39/186356039.db2.gz YZQDQVHTSAYZPC-UHFFFAOYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111130801 186356505 /nfs/dbraw/zinc/35/65/05/186356505.db2.gz XLSBQJCAIZQCEH-HOTGVXAUSA-N 2 0 281.419 2.488 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC[NH+](C)C ZINC000111129940 186356522 /nfs/dbraw/zinc/35/65/22/186356522.db2.gz IFFKVGGDCKFPPW-RISCZKNCSA-N 2 0 269.820 2.222 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(CC)cc1 ZINC000111134971 186357444 /nfs/dbraw/zinc/35/74/44/186357444.db2.gz NYVMTCUIOJRIKH-KRWDZBQOSA-N 2 0 277.456 2.393 10 0 CEAERP CCC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccccc1OC ZINC000111134521 186357783 /nfs/dbraw/zinc/35/77/83/186357783.db2.gz HZHNJBMFZRQPQP-MRXNPFEDSA-N 2 0 293.455 2.229 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN(C)CCC[NH+](C)C ZINC000111148070 186358232 /nfs/dbraw/zinc/35/82/32/186358232.db2.gz WFNDLEDTTNEPIR-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)CC[NH+](C)C ZINC000111147384 186358286 /nfs/dbraw/zinc/35/82/86/186358286.db2.gz ZWBHOZSRHJAJJS-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP C[N@H+](CCC[NH2+]C1CCCC1)C[C@@H]1CCCOC1 ZINC000111176473 186364714 /nfs/dbraw/zinc/36/47/14/186364714.db2.gz POOAYKFIFWHDEE-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172019 186364866 /nfs/dbraw/zinc/36/48/66/186364866.db2.gz AOFOFVRYXVYBKU-INIZCTEOSA-N 2 0 298.471 2.141 10 0 CEAERP C[N@@H+](Cc1occc1C[NH2+]C1CC1)CC1CCOCC1 ZINC000111175599 186364943 /nfs/dbraw/zinc/36/49/43/186364943.db2.gz SFLNOUGENSSEFW-UHFFFAOYSA-N 2 0 278.396 2.390 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171742 186366019 /nfs/dbraw/zinc/36/60/19/186366019.db2.gz BNQBTMKJYYITSY-KKUMJFAQSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[NH+]2CCCC2)CCCOC1 ZINC000111323639 186397336 /nfs/dbraw/zinc/39/73/36/186397336.db2.gz SCMNPKHIGKCXFC-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)C[C@@H]2CCCO2)CCCOC1 ZINC000111326596 186398184 /nfs/dbraw/zinc/39/81/84/186398184.db2.gz SXIPAXPURJCIPC-DLBZAZTESA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)[C@@H](C)COC)CCCOC1 ZINC000111326373 186398388 /nfs/dbraw/zinc/39/83/88/186398388.db2.gz DUHIWNLJJYJAFX-JKSUJKDBSA-N 2 0 286.460 2.140 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266780 186383475 /nfs/dbraw/zinc/38/34/75/186383475.db2.gz UXXVGHPWXSQZIY-CZUORRHYSA-N 2 0 289.423 2.322 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(CC[NH3+])cc2C)C1 ZINC000111482563 186422970 /nfs/dbraw/zinc/42/29/70/186422970.db2.gz FARRBFDUGPGXDE-MRXNPFEDSA-N 2 0 275.440 2.417 10 0 CEAERP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000111697328 186446524 /nfs/dbraw/zinc/44/65/24/186446524.db2.gz UUDJFMPLSWUCIM-LSDHHAIUSA-N 2 0 297.487 2.247 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000111709288 186449542 /nfs/dbraw/zinc/44/95/42/186449542.db2.gz ABJMWVZCUGRLLF-ZDUSSCGKSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562381 351415394 /nfs/dbraw/zinc/41/53/94/351415394.db2.gz MOJMMNJIPIFHKS-GARJFASQSA-N 2 0 252.324 2.490 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000092634180 539827418 /nfs/dbraw/zinc/82/74/18/539827418.db2.gz RYOPFKOBUZDLIO-OAHLLOKOSA-N 2 0 290.411 2.093 10 0 CEAERP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000133292723 366210031 /nfs/dbraw/zinc/21/00/31/366210031.db2.gz ODVIXLPFCQJPQQ-FUHWJXTLSA-N 2 0 290.451 2.302 10 0 CEAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000383175964 540167530 /nfs/dbraw/zinc/16/75/30/540167530.db2.gz FZEDIOHTJHSETA-KZNAEPCWSA-N 2 0 288.435 2.354 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(I)c1 ZINC000575438853 366287067 /nfs/dbraw/zinc/28/70/67/366287067.db2.gz NKLDEDYKGZHAOI-JTQLQIEISA-N 2 0 290.148 2.030 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515971 364195820 /nfs/dbraw/zinc/19/58/20/364195820.db2.gz MWMDYRPADANDEL-QLFBSQMISA-N 2 0 256.434 2.294 10 0 CEAERP c1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680145310 541371487 /nfs/dbraw/zinc/37/14/87/541371487.db2.gz NUFJRHYRQLGBAE-OKZBNKHCSA-N 2 0 296.418 2.410 10 0 CEAERP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843663 367585545 /nfs/dbraw/zinc/58/55/45/367585545.db2.gz RIOZBCJQKNCGAH-CABCVRRESA-N 2 0 262.397 2.209 10 0 CEAERP CC[NH+]1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000343583146 367898590 /nfs/dbraw/zinc/89/85/90/367898590.db2.gz AOFQNBYHWVJCRF-CHWSQXEVSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCO2 ZINC000251552061 299381841 /nfs/dbraw/zinc/38/18/41/299381841.db2.gz QQPODJZSHIQFDY-WCFLWFBJSA-N 2 0 262.353 2.193 10 0 CEAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000181655715 368479921 /nfs/dbraw/zinc/47/99/21/368479921.db2.gz ZRAXFRVIMSXOKE-OWCLPIDISA-N 2 0 267.461 2.179 10 0 CEAERP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000220360745 370231932 /nfs/dbraw/zinc/23/19/32/370231932.db2.gz AGXLLQHNNQSFJH-ZWKOTPCHSA-N 2 0 287.451 2.192 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000235113862 370556348 /nfs/dbraw/zinc/55/63/48/370556348.db2.gz SPCHNZMMKRYBJC-GJZGRUSLSA-N 2 0 264.417 2.092 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239448 371381058 /nfs/dbraw/zinc/38/10/58/371381058.db2.gz HCXWHWKMMJJCEV-YLFCFFPRSA-N 2 0 279.472 2.371 10 0 CEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000252716371 371472990 /nfs/dbraw/zinc/47/29/90/371472990.db2.gz YHAVQLFBQVKALF-ZNMIVQPWSA-N 2 0 267.461 2.178 10 0 CEAERP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261745688 371718083 /nfs/dbraw/zinc/71/80/83/371718083.db2.gz BSWHCNHPLOYDGG-FMKPAKJESA-N 2 0 259.397 2.464 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789393 371732051 /nfs/dbraw/zinc/73/20/51/371732051.db2.gz QHXPBIVYRXKXIJ-HRCADAONSA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822987 371743541 /nfs/dbraw/zinc/74/35/41/371743541.db2.gz ILSWYHPKGUPKSV-IMJJTQAJSA-N 2 0 276.449 2.414 10 0 CEAERP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cn1 ZINC000262043101 371808989 /nfs/dbraw/zinc/80/89/89/371808989.db2.gz YPTFEGFGEMUAQW-HRCADAONSA-N 2 0 288.439 2.095 10 0 CEAERP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cn1 ZINC000262043104 371811512 /nfs/dbraw/zinc/81/15/12/371811512.db2.gz YPTFEGFGEMUAQW-XHSDSOJGSA-N 2 0 288.439 2.095 10 0 CEAERP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000262083954 371821787 /nfs/dbraw/zinc/82/17/87/371821787.db2.gz FRWBSQMJWAAHFE-HRCADAONSA-N 2 0 274.408 2.351 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000262674881 371894719 /nfs/dbraw/zinc/89/47/19/371894719.db2.gz RMFLJNBJXYRGCW-JYJNAYRXSA-N 2 0 295.471 2.131 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000263316752 371933894 /nfs/dbraw/zinc/93/38/94/371933894.db2.gz ZOXFZWWNZQIPLG-WXYCVUISSA-N 2 0 294.826 2.146 10 0 CEAERP CCC1(CC)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@H]1OC ZINC000181560647 542273731 /nfs/dbraw/zinc/27/37/31/542273731.db2.gz JDUQZKIGTCEBOC-ARFHVFGLSA-N 2 0 298.471 2.017 10 0 CEAERP CCN1CC[C@H]([NH2+][C@H]2CCCc3ccc(O)cc32)C1 ZINC000334579870 380631539 /nfs/dbraw/zinc/63/15/39/380631539.db2.gz QADFZTBHPPAZQC-BBRMVZONSA-N 2 0 260.381 2.453 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)C[NH2+]CC(C)C ZINC000092675597 184620703 /nfs/dbraw/zinc/62/07/03/184620703.db2.gz XCOOTXKHEYWICG-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@H+](C)CC(C)(C)O ZINC000092983164 184640967 /nfs/dbraw/zinc/64/09/67/184640967.db2.gz CQNOYEJPLJWXBJ-HNNXBMFYSA-N 2 0 258.450 2.494 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094457578 184803336 /nfs/dbraw/zinc/80/33/36/184803336.db2.gz OWEUSCWBMSEZQR-IXDOHACOSA-N 2 0 291.414 2.384 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094458935 184804099 /nfs/dbraw/zinc/80/40/99/184804099.db2.gz OJHOBRUGCXKZBE-CABCVRRESA-N 2 0 253.434 2.064 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1 ZINC000094458828 184804330 /nfs/dbraw/zinc/80/43/30/184804330.db2.gz QCSKKDKYEJAHDR-WBVHZDCISA-N 2 0 273.424 2.083 10 0 CEAERP C[NH2+][C@H]1[C@H](N2CC[NH+](C(C)(C)C)CC2)CCC1(C)C ZINC000094304621 184778153 /nfs/dbraw/zinc/77/81/53/184778153.db2.gz NIXVJWNCTVCGDJ-KGLIPLIRSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@H]2CCOC3(CCC3)C2)CC1 ZINC000094384282 184792465 /nfs/dbraw/zinc/79/24/65/184792465.db2.gz UITIYAMXNLRXCH-HNNXBMFYSA-N 2 0 266.429 2.410 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[NH+](C)C ZINC000094752579 184852874 /nfs/dbraw/zinc/85/28/74/184852874.db2.gz YXPWPMPXUZZVHC-PMPSAXMXSA-N 2 0 297.487 2.377 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094467447 184806124 /nfs/dbraw/zinc/80/61/24/184806124.db2.gz WTSFULTWGKUAEN-KKUMJFAQSA-N 2 0 267.461 2.322 10 0 CEAERP C[N@H+](CC1(O)CC[NH2+]CC1)C1CCC(C)(C)CC1 ZINC000094859773 184882749 /nfs/dbraw/zinc/88/27/49/184882749.db2.gz UCZPVTOOKCDXHM-UHFFFAOYSA-N 2 0 254.418 2.002 10 0 CEAERP CC[C@@H](CCO)C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000094949050 184901908 /nfs/dbraw/zinc/90/19/08/184901908.db2.gz LYTOJRXFZLRDHJ-KBPBESRZSA-N 2 0 256.434 2.105 10 0 CEAERP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305139246 285362873 /nfs/dbraw/zinc/36/28/73/285362873.db2.gz PNYZOGUFDSWFBA-HOTGVXAUSA-N 2 0 266.429 2.287 10 0 CEAERP OC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089495843 135059313 /nfs/dbraw/zinc/05/93/13/135059313.db2.gz LYTJXPYFSLOKJY-GJZGRUSLSA-N 2 0 289.423 2.049 10 0 CEAERP CC(C)C[C@@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000090270705 135063031 /nfs/dbraw/zinc/06/30/31/135063031.db2.gz GXFMOTLXXXIFII-QGZVFWFLSA-N 2 0 291.439 2.437 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cccc(Cl)c2C[NH3+])C1 ZINC000091393821 135069061 /nfs/dbraw/zinc/06/90/61/135069061.db2.gz AUXJPXVEASCDSN-LLVKDONJSA-N 2 0 267.804 2.329 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091432415 135069823 /nfs/dbraw/zinc/06/98/23/135069823.db2.gz YKZFGQMRNOZZCM-WBVHZDCISA-N 2 0 275.440 2.497 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cccc(Cl)c2CC[NH3+])C1 ZINC000091432697 135069877 /nfs/dbraw/zinc/06/98/77/135069877.db2.gz UPUUSTJBWPXXSY-GFCCVEGCSA-N 2 0 281.831 2.372 10 0 CEAERP CC(C)[NH2+]Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000091432351 135069965 /nfs/dbraw/zinc/06/99/65/135069965.db2.gz VMVNJEMRAWMZHZ-MRXNPFEDSA-N 2 0 276.428 2.110 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091429185 135069983 /nfs/dbraw/zinc/06/99/83/135069983.db2.gz JZDMUGWWTVYMOK-HNNXBMFYSA-N 2 0 261.413 2.027 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545238 135071825 /nfs/dbraw/zinc/07/18/25/135071825.db2.gz AZNFSSIDXRMIQX-UKRRQHHQSA-N 2 0 277.387 2.075 10 0 CEAERP C[C@H](C[NH3+])[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000093068452 135079016 /nfs/dbraw/zinc/07/90/16/135079016.db2.gz RXOHOORKVFNUHE-OLZOCXBDSA-N 2 0 281.831 2.445 10 0 CEAERP C[C@@H](CCc1cccc(F)c1)N1CCO[C@H](C[NH+](C)C)C1 ZINC000182923465 395249422 /nfs/dbraw/zinc/24/94/22/395249422.db2.gz XVIUBGVOCPUGIO-WMLDXEAASA-N 2 0 294.414 2.409 10 0 CEAERP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000020247185 171100335 /nfs/dbraw/zinc/10/03/35/171100335.db2.gz ILULMJNNQCXWFW-CYBMUJFWSA-N 2 0 255.365 2.406 10 0 CEAERP CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365667 171164270 /nfs/dbraw/zinc/16/42/70/171164270.db2.gz OYKMCASZGZDPPA-GJZGRUSLSA-N 2 0 285.476 2.391 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022162608 171364494 /nfs/dbraw/zinc/36/44/94/171364494.db2.gz FWILDUDCYXJPBV-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022221315 171378278 /nfs/dbraw/zinc/37/82/78/171378278.db2.gz IGTOSVCDNFRIRF-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP CCC[NH2+]Cc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000032114717 171708359 /nfs/dbraw/zinc/70/83/59/171708359.db2.gz JXJNALVPXKLMMU-UHFFFAOYSA-N 2 0 266.385 2.135 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C2CCC(O)CC2)CC1 ZINC000037209785 173031330 /nfs/dbraw/zinc/03/13/30/173031330.db2.gz NFHKIXHVIBGTFQ-JEYLPNPQSA-N 2 0 268.445 2.390 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C2CCC(O)CC2)CC1 ZINC000037209784 173031336 /nfs/dbraw/zinc/03/13/36/173031336.db2.gz NFHKIXHVIBGTFQ-IUDNXUCKSA-N 2 0 268.445 2.390 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096061 174110148 /nfs/dbraw/zinc/11/01/48/174110148.db2.gz FNDXPXKJFUFAFQ-ILXRZTDVSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000040509814 174303890 /nfs/dbraw/zinc/30/38/90/174303890.db2.gz DPIVPUTXYAVXMA-CYBMUJFWSA-N 2 0 263.385 2.020 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670620 174368767 /nfs/dbraw/zinc/36/87/67/174368767.db2.gz DZWYLYFBMTUBQT-RDJZCZTQSA-N 2 0 297.487 2.391 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC([NH+](C)C)CC2)o1 ZINC000043364373 175024840 /nfs/dbraw/zinc/02/48/40/175024840.db2.gz PNIGWRCDUFUCMQ-DOMZBBRYSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[NH+](C(C)C)CC2)o1 ZINC000043364367 175025007 /nfs/dbraw/zinc/02/50/07/175025007.db2.gz IAHSRWDGADCDGV-ZFWWWQNUSA-N 2 0 265.401 2.002 10 0 CEAERP CCC[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805269 175107578 /nfs/dbraw/zinc/10/75/78/175107578.db2.gz REDYTRDVNYKNBM-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CCOc1ccc([C@H](C)[NH2+]C)cc1CN1CC[NH+](C)CC1 ZINC000043810647 175109664 /nfs/dbraw/zinc/10/96/64/175109664.db2.gz QVEGALJDBDLLOL-AWEZNQCLSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815294 175112593 /nfs/dbraw/zinc/11/25/93/175112593.db2.gz GSSVMXDZQYVPEL-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897416 175120561 /nfs/dbraw/zinc/12/05/61/175120561.db2.gz GPZYMVMSFHLAMY-KBMXLJTQSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH2+][C@H](C)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000043965722 175126899 /nfs/dbraw/zinc/12/68/99/175126899.db2.gz JHURVPXZRWKQJX-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967766 175128896 /nfs/dbraw/zinc/12/88/96/175128896.db2.gz DGRNQRPGXQNJKX-SJORKVTESA-N 2 0 279.472 2.467 10 0 CEAERP COCC[C@@](C)(C[NH3+])N1CCc2sccc2[C@@H]1C ZINC000045043679 175295435 /nfs/dbraw/zinc/29/54/35/175295435.db2.gz DQRHFFLVJQNFTP-FZMZJTMJSA-N 2 0 268.426 2.421 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)CC ZINC000045381254 175370284 /nfs/dbraw/zinc/37/02/84/175370284.db2.gz FKIIPIQWXGTDSW-JSGCOSHPSA-N 2 0 258.406 2.168 10 0 CEAERP CCOC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C2CC2)CC1 ZINC000070513745 175962271 /nfs/dbraw/zinc/96/22/71/175962271.db2.gz CSBWYTKTEITBCB-KRWDZBQOSA-N 2 0 298.471 2.161 10 0 CEAERP C[NH2+]Cc1cc(N(C)CCC[NH+](C)C)nc2ccccc12 ZINC000070943328 176015984 /nfs/dbraw/zinc/01/59/84/176015984.db2.gz YOLSYEIVFJIBAJ-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP CC[C@@H](CC[NH3+])N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000070988413 176018441 /nfs/dbraw/zinc/01/84/41/176018441.db2.gz HXOPOMRYCVBNAN-RDJZCZTQSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000071123897 176035185 /nfs/dbraw/zinc/03/51/85/176035185.db2.gz KHWSCCJYFKKDGO-WBVHZDCISA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000071124870 176035188 /nfs/dbraw/zinc/03/51/88/176035188.db2.gz UEWGTZRTAUMUAF-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CCc1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071148926 176044392 /nfs/dbraw/zinc/04/43/92/176044392.db2.gz QHEAELSEUCQKEN-OAHLLOKOSA-N 2 0 275.440 2.147 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071162184 176046634 /nfs/dbraw/zinc/04/66/34/176046634.db2.gz DHQFBXYTKKXONO-ZACQAIPSSA-N 2 0 279.472 2.454 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1c(C[NH3+])cnc2ccccc21 ZINC000071187564 176061011 /nfs/dbraw/zinc/06/10/11/176061011.db2.gz HQIRLIAFEOCGSW-ZDUSSCGKSA-N 3 0 284.407 2.081 10 0 CEAERP C[NH2+]Cc1c(Cl)cccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190004 176065722 /nfs/dbraw/zinc/06/57/22/176065722.db2.gz ZHNBSDQNDRWCFP-LBPRGKRZSA-N 2 0 281.831 2.447 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191483 176070109 /nfs/dbraw/zinc/07/01/09/176070109.db2.gz IALNHECVYJLSRI-HZPDHXFCSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@H]1CCCN(CCCC[N@H+](C)C(C)C)C1 ZINC000071200752 176077619 /nfs/dbraw/zinc/07/76/19/176077619.db2.gz WZGPIMSTIURANC-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])[C@@H]1CCSC1 ZINC000071267654 176101343 /nfs/dbraw/zinc/10/13/43/176101343.db2.gz BPOZIFBMLKINAA-LLVKDONJSA-N 2 0 267.373 2.047 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290060 176110786 /nfs/dbraw/zinc/11/07/86/176110786.db2.gz IHXUWZLIHZAWBM-HNNXBMFYSA-N 3 0 255.450 2.040 10 0 CEAERP COc1ccc(Cl)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076663536 177049933 /nfs/dbraw/zinc/04/99/33/177049933.db2.gz UYTVBJVTHAHREU-SNVBAGLBSA-N 2 0 256.777 2.343 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079241956 177454543 /nfs/dbraw/zinc/45/45/43/177454543.db2.gz SOXWHEKGZAWCET-HZPDHXFCSA-N 2 0 297.487 2.380 10 0 CEAERP COc1ccc(OCC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000667007651 419512200 /nfs/dbraw/zinc/51/22/00/419512200.db2.gz JIMAWNAPWNKOFV-KGLIPLIRSA-N 2 0 278.396 2.052 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1Cl ZINC000261544980 274858834 /nfs/dbraw/zinc/85/88/34/274858834.db2.gz FLNRJHLMAUSQCV-GHMZBOCLSA-N 2 0 251.761 2.232 10 0 CEAERP CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862880 276068922 /nfs/dbraw/zinc/06/89/22/276068922.db2.gz YUQDCRSMFWBYQA-QGZVFWFLSA-N 2 0 276.424 2.384 10 0 CEAERP CC[NH2+][C@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091395 276271092 /nfs/dbraw/zinc/27/10/92/276271092.db2.gz BEJKLPBYVVOBGV-DLBZAZTESA-N 2 0 276.424 2.259 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000234806717 277589607 /nfs/dbraw/zinc/58/96/07/277589607.db2.gz VQIFSNWAOFNTKK-UTUOFQBUSA-N 2 0 282.350 2.451 10 0 CEAERP CC[NH+](CC)CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629478 279100896 /nfs/dbraw/zinc/10/08/96/279100896.db2.gz KKJRLLUSZRQLTQ-IHRRRGAJSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000134961066 280033835 /nfs/dbraw/zinc/03/38/35/280033835.db2.gz LESZEEYYOSRWGN-INIZCTEOSA-N 2 0 297.487 2.488 10 0 CEAERP CCC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+](C)C ZINC000245659587 280255390 /nfs/dbraw/zinc/25/53/90/280255390.db2.gz HDUWSIGUTKKUEE-INMHGKMJSA-N 2 0 297.487 2.343 10 0 CEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000246505832 280297910 /nfs/dbraw/zinc/29/79/10/280297910.db2.gz SIXCDIGAVJWVGN-YXMSTPNBSA-N 2 0 295.471 2.093 10 0 CEAERP [NH3+]CCN(CC[NH2+]Cc1ccccc1)Cc1ccccc1 ZINC000060275331 295232275 /nfs/dbraw/zinc/23/22/75/295232275.db2.gz ALFBPTKBTPIULR-UHFFFAOYSA-N 2 0 283.419 2.237 10 0 CEAERP COc1cccc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133526275 295314670 /nfs/dbraw/zinc/31/46/70/295314670.db2.gz KIJGKXHYORIQLE-DOTOQJQBSA-N 2 0 291.439 2.030 10 0 CEAERP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000516173840 313083207 /nfs/dbraw/zinc/08/32/07/313083207.db2.gz DJIALPWICLANIG-QZWWFDLISA-N 2 0 281.488 2.475 10 0 CEAERP CC(C)[NH2+]Cc1ccc(COCC[NH+](C)C)cc1 ZINC000052669822 519726755 /nfs/dbraw/zinc/72/67/55/519726755.db2.gz NNVLQMBBXKRNSF-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061298250 519905030 /nfs/dbraw/zinc/90/50/30/519905030.db2.gz XAGMNQQLIKSONB-BBRMVZONSA-N 2 0 283.460 2.001 10 0 CEAERP CC[NH2+]CC1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000070332317 519914694 /nfs/dbraw/zinc/91/46/94/519914694.db2.gz WETXXUXEDGGVGZ-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)COC)c(C)o1 ZINC000052572445 519987304 /nfs/dbraw/zinc/98/73/04/519987304.db2.gz UYWSSUCZBYEBMS-ZDUSSCGKSA-N 2 0 298.427 2.181 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@@H+]1CCCSCC1 ZINC000052371028 520009618 /nfs/dbraw/zinc/00/96/18/520009618.db2.gz ITBDPZYQZBLSLB-UHFFFAOYSA-N 2 0 254.399 2.328 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054997430 520032538 /nfs/dbraw/zinc/03/25/38/520032538.db2.gz KDMWVTUQBBBUQM-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069074203 520082920 /nfs/dbraw/zinc/08/29/20/520082920.db2.gz WCORFJXDLDTGSC-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@H+](Cc1ccccc1C[NH2+]C)[C@H](C)COC ZINC000052505076 521379614 /nfs/dbraw/zinc/37/96/14/521379614.db2.gz QGJYIKLTNLBKDP-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCC[NH2+]C(C)(C)C ZINC000061654688 521838927 /nfs/dbraw/zinc/83/89/27/521838927.db2.gz VLMZGAGOJDQUKK-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+]C[C@@H](OCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000052673727 522035680 /nfs/dbraw/zinc/03/56/80/522035680.db2.gz QZDZXFNMBNIVLH-HZPDHXFCSA-N 2 0 262.397 2.448 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482372 522059165 /nfs/dbraw/zinc/05/91/65/522059165.db2.gz BGUQYOPTEXMASA-FZKCQIBNSA-N 2 0 266.429 2.266 10 0 CEAERP C[NH2+]Cc1oc(C[N@H+](C)[C@@H]2CCSC2)cc1C ZINC000052453722 522160416 /nfs/dbraw/zinc/16/04/16/522160416.db2.gz WILHUPBKHCIUNB-LLVKDONJSA-N 2 0 254.399 2.245 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421305 518760707 /nfs/dbraw/zinc/76/07/07/518760707.db2.gz LSQWGOFZCQLWAY-UONOGXRCSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000053033045 518762933 /nfs/dbraw/zinc/76/29/33/518762933.db2.gz LUVLHUPDFZEWMI-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943335 519335646 /nfs/dbraw/zinc/33/56/46/519335646.db2.gz WZEWCSBCJOAWQJ-HUUCEWRRSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)CCC[NH2+]CCN(C)CC[NH+]1CCCC1 ZINC000063054294 519641213 /nfs/dbraw/zinc/64/12/13/519641213.db2.gz GBFJCRBDFVOBQN-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CC(C)[NH+](CCNC(=O)C[C@@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055125059 519647140 /nfs/dbraw/zinc/64/71/40/519647140.db2.gz VMNKQOSEXZFYHT-HUUCEWRRSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)[NH+](CCNCCC[NH+]1CCCC1)C(C)C ZINC000049332212 519648041 /nfs/dbraw/zinc/64/80/41/519648041.db2.gz QZLXUFDWNJPWFI-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)C[NH+](Cc1cccnc1C(N)=[NH2+])CC(C)C ZINC000061658091 519718461 /nfs/dbraw/zinc/71/84/61/519718461.db2.gz QLZXJPZNNYWVJQ-UHFFFAOYSA-N 2 0 262.401 2.480 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480094 519721340 /nfs/dbraw/zinc/72/13/40/519721340.db2.gz CAEMJIQVIWFJHZ-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478887 519723935 /nfs/dbraw/zinc/72/39/35/519723935.db2.gz XKBQPXJAYNDKAS-JKSUJKDBSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673643 519724089 /nfs/dbraw/zinc/72/40/89/519724089.db2.gz GMKDMHJULCUCKY-JYJNAYRXSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccnc(C[NH2+]C(C)C)c2)CC1 ZINC000055082445 519729113 /nfs/dbraw/zinc/72/91/13/519729113.db2.gz SGZOYMWROKPCKE-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)CNC(=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000052038525 519733217 /nfs/dbraw/zinc/73/32/17/519733217.db2.gz CCHZRMZRYPTROV-UHFFFAOYSA-N 2 0 266.433 2.117 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C)C1 ZINC000053033683 519745955 /nfs/dbraw/zinc/74/59/55/519745955.db2.gz UVYFTBCTXJFQPQ-CVEARBPZSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417091 519745887 /nfs/dbraw/zinc/74/58/87/519745887.db2.gz FOYQQPULKOAPLX-KRWDZBQOSA-N 2 0 289.467 2.438 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453610 519746368 /nfs/dbraw/zinc/74/63/68/519746368.db2.gz RHEVCHAKYNLSPB-RBSFLKMASA-N 2 0 286.485 2.217 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654272 519747874 /nfs/dbraw/zinc/74/78/74/519747874.db2.gz BIFDCFUHXLMUQQ-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000050950224 519815221 /nfs/dbraw/zinc/81/52/21/519815221.db2.gz WIWCTIUHWCSJRE-INIZCTEOSA-N 2 0 295.471 2.003 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CCC[C@H]1C[NH+](C)C ZINC000061643025 519885212 /nfs/dbraw/zinc/88/52/12/519885212.db2.gz VOMDVMKUKDTTHD-AWEZNQCLSA-N 2 0 255.450 2.310 10 0 CEAERP CCCC1(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC[NH2+]CC1 ZINC000062849735 519887769 /nfs/dbraw/zinc/88/77/69/519887769.db2.gz MAZURWFVHINIMK-OAHLLOKOSA-N 2 0 297.487 2.249 10 0 CEAERP CCCC1CC[NH+]([C@@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1 ZINC000050893527 519903667 /nfs/dbraw/zinc/90/36/67/519903667.db2.gz PHPNMDIOODJXRH-HUUCEWRRSA-N 2 0 282.428 2.121 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCO1 ZINC000054603172 519908545 /nfs/dbraw/zinc/90/85/45/519908545.db2.gz JIYYRWGAQVAXBI-DKUMPPAJSA-N 2 0 252.402 2.160 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)CC[NH+](C)C ZINC000054602898 519910239 /nfs/dbraw/zinc/91/02/39/519910239.db2.gz YYWSUUXLOFYNFE-HNSVSWJLSA-N 2 0 267.461 2.322 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccnc1 ZINC000054628353 519910907 /nfs/dbraw/zinc/91/09/07/519910907.db2.gz ULNYYGNVIXGAAF-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP CC[NH2+]CCC[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503364 519920197 /nfs/dbraw/zinc/92/01/97/519920197.db2.gz GSCRADBHXAUUII-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074831 519920685 /nfs/dbraw/zinc/92/06/85/519920685.db2.gz RKVMGVQJAKGBPO-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]Cc1cccc(C[NH+](CCOC)CCOC)c1 ZINC000052571380 519954469 /nfs/dbraw/zinc/95/44/69/519954469.db2.gz WMPOJRLCJSKPNL-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CCC[NH2+]Cc1ccccc1COCC[NH+](C)C ZINC000052669907 519956513 /nfs/dbraw/zinc/95/65/13/519956513.db2.gz XFRCKCSYMFLZCS-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572317 519960500 /nfs/dbraw/zinc/96/05/00/519960500.db2.gz UZMRZJLWYKLLJJ-CQSZACIVSA-N 2 0 298.427 2.263 10 0 CEAERP CCC[NH2+]Cc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654727 519968382 /nfs/dbraw/zinc/96/83/82/519968382.db2.gz ZIFNCLOGAXGYJS-CQSZACIVSA-N 2 0 296.484 2.169 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542307 519977316 /nfs/dbraw/zinc/97/73/16/519977316.db2.gz JLTCPMZODCJXHM-CVEARBPZSA-N 2 0 292.423 2.284 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654189 519982972 /nfs/dbraw/zinc/98/29/72/519982972.db2.gz GFROWTPCXMTHOO-OAHLLOKOSA-N 2 0 290.455 2.338 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875179 519983899 /nfs/dbraw/zinc/98/38/99/519983899.db2.gz ZCJAJADOFKDJRC-CMPLNLGQSA-N 2 0 282.350 2.010 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)c(C)o1 ZINC000052543316 519988745 /nfs/dbraw/zinc/98/87/45/519988745.db2.gz YKYVUXROUKPLGV-UHFFFAOYSA-N 2 0 298.427 2.182 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCOC(C)(C)C2)c1 ZINC000052481770 520004304 /nfs/dbraw/zinc/00/43/04/520004304.db2.gz JYWRRLVLLWWDHW-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1cccc(C[NH+]2CCC(OC)CC2)c1 ZINC000052455171 520004975 /nfs/dbraw/zinc/00/49/75/520004975.db2.gz FYWIOZWNKUWYNW-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1cn(CC[NH+]2CCC(C(C)(C)C)CC2)nn1 ZINC000052373623 520013188 /nfs/dbraw/zinc/01/31/88/520013188.db2.gz GUFFORXVBSMMRM-UHFFFAOYSA-N 2 0 293.459 2.146 10 0 CEAERP CC[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)c(Cl)c1 ZINC000061654276 520015303 /nfs/dbraw/zinc/01/53/03/520015303.db2.gz LOHCLYHXBIAPOU-CYBMUJFWSA-N 2 0 296.846 2.375 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCO1 ZINC000053874150 520020771 /nfs/dbraw/zinc/02/07/71/520020771.db2.gz ATEVCEWFBCCJJF-QLFBSQMISA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@H+](C)C2)nc1CC ZINC000054998302 520033427 /nfs/dbraw/zinc/03/34/27/520033427.db2.gz WBXPTFYPZFDTTA-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643706 520122043 /nfs/dbraw/zinc/12/20/43/520122043.db2.gz NPFLTJJQIWKYMC-JJXSEGSLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H](CCN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061653627 520190115 /nfs/dbraw/zinc/19/01/15/520190115.db2.gz UGJPWAMQXVWIIJ-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653661 520214588 /nfs/dbraw/zinc/21/45/88/520214588.db2.gz IACGPFGETOZFRR-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CCO[C@@H](C[NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000062739734 520309418 /nfs/dbraw/zinc/30/94/18/520309418.db2.gz AEFYOCPGKRWJJF-LBPRGKRZSA-N 2 0 256.415 2.322 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH2+]CC)CC1 ZINC000061296622 520397751 /nfs/dbraw/zinc/39/77/51/520397751.db2.gz BYPFZPXCNUQYEB-UHFFFAOYSA-N 2 0 297.487 2.345 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372314 520528358 /nfs/dbraw/zinc/52/83/58/520528358.db2.gz VESKINPBPNDMLD-AWEZNQCLSA-N 2 0 266.385 2.308 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccccc2C[NH2+]C)C1 ZINC000062967216 520848607 /nfs/dbraw/zinc/84/86/07/520848607.db2.gz IKNZLGUSJGDGGG-OAHLLOKOSA-N 2 0 261.413 2.327 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C[NH3+])c2ccccc2OC)C1 ZINC000062977078 520874609 /nfs/dbraw/zinc/87/46/09/520874609.db2.gz DZTHNNWDAJUUTO-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237276 520968444 /nfs/dbraw/zinc/96/84/44/520968444.db2.gz JHMGIJFVGAGHJG-GFCCVEGCSA-N 2 0 275.396 2.204 10 0 CEAERP CC[N@H+](CCCOCC(F)(F)F)C1CC[NH2+]CC1 ZINC000049313062 521036926 /nfs/dbraw/zinc/03/69/26/521036926.db2.gz CBDWWVIZCGXUCW-UHFFFAOYSA-N 2 0 268.323 2.029 10 0 CEAERP CCC[C@H](C)[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064430 521065848 /nfs/dbraw/zinc/06/58/48/521065848.db2.gz RADMAKODUYFGFX-KKUMJFAQSA-N 2 0 255.450 2.166 10 0 CEAERP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000062940407 521212980 /nfs/dbraw/zinc/21/29/80/521212980.db2.gz RURGGXGUQWTQEM-YLFCFFPRSA-N 2 0 279.472 2.453 10 0 CEAERP CC[N@@H+](Cc1ccc(C[NH2+]C)cc1)C[C@@H]1CCCO1 ZINC000052511008 521306159 /nfs/dbraw/zinc/30/61/59/521306159.db2.gz XEMOFJBZIFFDRM-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[N@@H+](Cc1ccccc1C[NH2+]C)C[C@@H]1CCCO1 ZINC000052511102 521380773 /nfs/dbraw/zinc/38/07/73/521380773.db2.gz CSXMYOZDZKVKID-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970481 521440232 /nfs/dbraw/zinc/44/02/32/521440232.db2.gz FIYNASXLLSTTDO-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655584 521533188 /nfs/dbraw/zinc/53/31/88/521533188.db2.gz FVYCHUBTSSLFRV-NSHDSACASA-N 2 0 282.457 2.085 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049197567 521582550 /nfs/dbraw/zinc/58/25/50/521582550.db2.gz OKAUTXVAPSOQSL-ZBFHGGJFSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049197576 521584349 /nfs/dbraw/zinc/58/43/49/521584349.db2.gz OKAUTXVAPSOQSL-GOEBONIOSA-N 2 0 269.477 2.283 10 0 CEAERP CCOC1CC[NH+](C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052483974 521656136 /nfs/dbraw/zinc/65/61/36/521656136.db2.gz RGROFCZZQZBXOR-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH+]1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054559459 521686148 /nfs/dbraw/zinc/68/61/48/521686148.db2.gz WGKTYAIZZSBSRR-ULQDDVLXSA-N 2 0 281.488 2.284 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccoc1C[NH2+]C1CC1 ZINC000061654416 521840386 /nfs/dbraw/zinc/84/03/86/521840386.db2.gz GWTORLAVAKWSLD-HNNXBMFYSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644711 521841309 /nfs/dbraw/zinc/84/13/09/521841309.db2.gz ZTATYVNBMAKGMM-GJZGRUSLSA-N 2 0 274.412 2.080 10 0 CEAERP CN(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654546 521871079 /nfs/dbraw/zinc/87/10/79/521871079.db2.gz NJCALVLOYQTVCK-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccncc1 ZINC000054602165 521952841 /nfs/dbraw/zinc/95/28/41/521952841.db2.gz SONFOGZQPDOQSV-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(O)cc1 ZINC000054628691 521955707 /nfs/dbraw/zinc/95/57/07/521955707.db2.gz VGKMVDDYGHKAMF-GOOCMWNKSA-N 2 0 260.381 2.150 10 0 CEAERP C[NH2+]CCCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418223 521991657 /nfs/dbraw/zinc/99/16/57/521991657.db2.gz JLNJIMHYCQWXKA-UHFFFAOYSA-N 2 0 279.403 2.337 10 0 CEAERP C[NH2+]C[C@@](C)(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763411 522064134 /nfs/dbraw/zinc/06/41/34/522064134.db2.gz RSGUUWNNKVQXPX-MSOLQXFVSA-N 2 0 290.451 2.401 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183561 522093275 /nfs/dbraw/zinc/09/32/75/522093275.db2.gz LXMOCCPMNQMHLU-OAHLLOKOSA-N 2 0 298.471 2.282 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072507 522123941 /nfs/dbraw/zinc/12/39/41/522123941.db2.gz YSQOFTTZKANLOX-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+]Cc1cccc(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000052571611 522127887 /nfs/dbraw/zinc/12/78/87/522127887.db2.gz PJPKXYURAKWVOP-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063925 522132793 /nfs/dbraw/zinc/13/27/93/522132793.db2.gz AAMOBEWGGMIZCM-RHSMWYFYSA-N 2 0 291.439 2.111 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000052507705 522134196 /nfs/dbraw/zinc/13/41/96/522134196.db2.gz ACHZZLWDUUQVSL-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP C[NH2+]Cc1cccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543842 522134342 /nfs/dbraw/zinc/13/43/42/522134342.db2.gz TVKAEKURORICEU-LSDHHAIUSA-N 2 0 260.381 2.269 10 0 CEAERP CC[C@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061642080 522341255 /nfs/dbraw/zinc/34/12/55/522341255.db2.gz KELVUULDMLVHRU-RDBSUJKOSA-N 2 0 255.450 2.164 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000055077234 522342935 /nfs/dbraw/zinc/34/29/35/522342935.db2.gz PTYJRLKZZNMIDR-HOCLYGCPSA-N 2 0 279.428 2.332 10 0 CEAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccc(C)cc1 ZINC000061643401 522353470 /nfs/dbraw/zinc/35/34/70/522353470.db2.gz RFBBJRPHBMRKJB-SJORKVTESA-N 2 0 275.440 2.282 10 0 CEAERP CC[C@@H](C[NH2+]C1CC1)N(CC[NH+](C)C)CC(C)C ZINC000052503281 522545080 /nfs/dbraw/zinc/54/50/80/522545080.db2.gz SNRWTCIZMUODPF-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077484 522653709 /nfs/dbraw/zinc/65/37/09/522653709.db2.gz VOFPGAJBAHIICS-SJORKVTESA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1sccc1C)N1CC[C@H]([NH+](C)C)C1 ZINC000062964124 522654675 /nfs/dbraw/zinc/65/46/75/522654675.db2.gz XHIPUELOCBPEET-BFHYXJOUSA-N 2 0 281.469 2.471 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000063050906 522831773 /nfs/dbraw/zinc/83/17/73/522831773.db2.gz KXPUTVBXQUBKPM-OAHLLOKOSA-N 2 0 281.831 2.367 10 0 CEAERP CC[C@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052479780 523087964 /nfs/dbraw/zinc/08/79/64/523087964.db2.gz QVKSVVHLQSMFMG-AWEZNQCLSA-N 2 0 293.459 2.288 10 0 CEAERP COCCC[N@H+](CCOC)[C@H](C)CCC[NH2+]CC(C)C ZINC000052543286 523257688 /nfs/dbraw/zinc/25/76/88/523257688.db2.gz FFUMBNUGCJWDKQ-MRXNPFEDSA-N 2 0 288.476 2.386 10 0 CEAERP CC[C@@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CC[N@@H+]1C ZINC000069182959 523473291 /nfs/dbraw/zinc/47/32/91/523473291.db2.gz VSKWKKOIFOYQTD-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP C[N@H+](Cc1occc1C[NH2+]C1CC1)C1CCOCC1 ZINC000052481151 523616318 /nfs/dbraw/zinc/61/63/18/523616318.db2.gz DPBZGVIJZQZXJB-UHFFFAOYSA-N 2 0 264.369 2.142 10 0 CEAERP CN([C@@H](CC(N)=[NH2+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055022488 523623329 /nfs/dbraw/zinc/62/33/29/523623329.db2.gz QLCHRXKXHKXBAF-HNNXBMFYSA-N 2 0 274.412 2.080 10 0 CEAERP CN(c1ccc(Cl)cc1C(N)=[NH2+])C1CC[NH+](C)CC1 ZINC000052859996 523637402 /nfs/dbraw/zinc/63/74/02/523637402.db2.gz VFNGPNXOJWAGGD-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP COCC[N@H+](C[C@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545309 523733226 /nfs/dbraw/zinc/73/32/26/523733226.db2.gz MPBJGBGGWSNTHN-KGLIPLIRSA-N 2 0 256.434 2.367 10 0 CEAERP C[N@@H+]1CCCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052424207 523807979 /nfs/dbraw/zinc/80/79/79/523807979.db2.gz LZUDYLYLNJJKRE-UHFFFAOYSA-N 2 0 273.380 2.029 10 0 CEAERP CC[C@H](C)C[N@@H+]1CCCN([C@@H](CC)CC[NH3+])CC1 ZINC000050424216 523881660 /nfs/dbraw/zinc/88/16/60/523881660.db2.gz CHZVYGKOEVRFKO-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH+]1CCN(Cc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000052379507 523911724 /nfs/dbraw/zinc/91/17/24/523911724.db2.gz XBDRMFXLMWTIMZ-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055075002 523952533 /nfs/dbraw/zinc/95/25/33/523952533.db2.gz SHXZPIGAWYBECI-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000055064607 523952910 /nfs/dbraw/zinc/95/29/10/523952910.db2.gz DHIXQJJUYPKQDZ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075146 523953261 /nfs/dbraw/zinc/95/32/61/523953261.db2.gz WCNHHDJLVLMJIK-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000055065374 523958054 /nfs/dbraw/zinc/95/80/54/523958054.db2.gz OKFHCURZXQRSCA-YHUYYLMFSA-N 2 0 267.461 2.309 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000055063698 523959334 /nfs/dbraw/zinc/95/93/34/523959334.db2.gz LAWCPMKBCUEACV-BJJXKVORSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000055073577 523962274 /nfs/dbraw/zinc/96/22/74/523962274.db2.gz VMRAIGGBRACDBP-NSHDSACASA-N 2 0 282.819 2.114 10 0 CEAERP COc1ccc(C[N@H+](C)Cc2cccnc2C[NH3+])cc1 ZINC000061656675 524006139 /nfs/dbraw/zinc/00/61/39/524006139.db2.gz VUEQSZORXOVDDW-UHFFFAOYSA-N 2 0 271.364 2.181 10 0 CEAERP C[NH+](C)CC(C)(C)CN1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053010817 524045455 /nfs/dbraw/zinc/04/54/55/524045455.db2.gz MDGVSBJEYVEYBS-AWEZNQCLSA-N 2 0 269.477 2.284 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)s1 ZINC000051719095 524048108 /nfs/dbraw/zinc/04/81/08/524048108.db2.gz FADLTQFELCOKGF-AWEZNQCLSA-N 2 0 281.469 2.336 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052378862 524111773 /nfs/dbraw/zinc/11/17/73/524111773.db2.gz ANWFPBVTIWYHBM-CYBMUJFWSA-N 2 0 279.432 2.041 10 0 CEAERP C[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)[C@@H]1C ZINC000052373370 524230834 /nfs/dbraw/zinc/23/08/34/524230834.db2.gz BPRCDKRINVEVBH-ZIAGYGMSSA-N 2 0 293.459 2.287 10 0 CEAERP Cc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(C)n1C ZINC000052789537 524753547 /nfs/dbraw/zinc/75/35/47/524753547.db2.gz CWTNFPDWUXUJTO-UHFFFAOYSA-N 2 0 251.418 2.319 10 0 CEAERP C[C@]([NH3+])(CN1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000052883705 525150044 /nfs/dbraw/zinc/15/00/44/525150044.db2.gz SXUQUBNCRNHJMI-SFHVURJKSA-N 2 0 287.451 2.421 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)ccc1F ZINC000055077954 525482102 /nfs/dbraw/zinc/48/21/02/525482102.db2.gz RQOUJLQDBZWRAX-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@](CO)(CCC[NH+]1Cc2ccccc2C1)[NH2+]C1CC1 ZINC000070334531 525741215 /nfs/dbraw/zinc/74/12/15/525741215.db2.gz OGNSJMWGVYTJIC-KRWDZBQOSA-N 2 0 274.408 2.285 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062963914 525978046 /nfs/dbraw/zinc/97/80/46/525978046.db2.gz OUVBVDLRIWLDAQ-KBMXLJTQSA-N 2 0 261.413 2.019 10 0 CEAERP Cc1oc(C[N@H+](C)C[C@H]2CCCCO2)cc1C[NH3+] ZINC000052507346 526770115 /nfs/dbraw/zinc/77/01/15/526770115.db2.gz DUXCKRRLNIZTKF-CYBMUJFWSA-N 2 0 252.358 2.048 10 0 CEAERP NC(=[NH2+])c1c(Cl)cccc1OCC[NH+]1CCCC1 ZINC000052907587 526819610 /nfs/dbraw/zinc/81/96/10/526819610.db2.gz IXWLOGWHCJFNFM-UHFFFAOYSA-N 2 0 267.760 2.099 10 0 CEAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000061658389 526825011 /nfs/dbraw/zinc/82/50/11/526825011.db2.gz NKXYQJMINMZZHQ-CQSZACIVSA-N 2 0 280.375 2.355 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH2+]C(C)C ZINC000054997432 526967755 /nfs/dbraw/zinc/96/77/55/526967755.db2.gz WLENHHHLCZPNMF-UHFFFAOYSA-N 2 0 296.484 2.480 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCOCC1 ZINC000052182760 527163693 /nfs/dbraw/zinc/16/36/93/527163693.db2.gz QKDLQEBTOQMOLH-OAHLLOKOSA-N 2 0 266.429 2.397 10 0 CEAERP FC(F)(F)COCCC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564876 527669753 /nfs/dbraw/zinc/66/97/53/527669753.db2.gz KNEOVGOKDHNALW-RYUDHWBXSA-N 2 0 280.334 2.172 10 0 CEAERP CC(C)(CC[NH+]1CCN(c2ccc(F)cc2)CC1)C(N)=[NH2+] ZINC000087593364 535027695 /nfs/dbraw/zinc/02/76/95/535027695.db2.gz OHNPMDGYEYYPKW-UHFFFAOYSA-N 2 0 292.402 2.300 10 0 CEAERP COc1cccc(N2CC[NH+](CCC(C)(C)C[NH3+])CC2)c1 ZINC000087590426 537122627 /nfs/dbraw/zinc/12/26/27/537122627.db2.gz OSVXZMXNEVMJHT-UHFFFAOYSA-N 2 0 291.439 2.192 10 0 CEAERP C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412804 539030967 /nfs/dbraw/zinc/03/09/67/539030967.db2.gz HBLSKSBLZIPFTE-WOFIAXNJSA-N 2 0 266.429 2.095 10 0 CEAERP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)[C@@H]1C ZINC000725264163 539212529 /nfs/dbraw/zinc/21/25/29/539212529.db2.gz DVYKWJNVEOSJPA-YIYPIFLZSA-N 2 0 252.402 2.003 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000164392046 282235660 /nfs/dbraw/zinc/23/56/60/282235660.db2.gz BYNDVYHSEBQZKP-MRXNPFEDSA-N 2 0 295.471 2.003 10 0 CEAERP C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307637303 344723850 /nfs/dbraw/zinc/72/38/50/344723850.db2.gz WRLXYLZYLLOXFD-ATLSCFEFSA-N 2 0 287.451 2.461 10 0 CEAERP C[C@H]1C[C@H](C)CC(C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000084470005 178893393 /nfs/dbraw/zinc/89/33/93/178893393.db2.gz IJWAHXKLVNZKQD-KBPBESRZSA-N 2 0 267.461 2.166 10 0 CEAERP C[C@H]1CC([NH+]2CCN(C(C)(C)C[NH3+])CC2)C[C@H](C)C1 ZINC000084948233 178933736 /nfs/dbraw/zinc/93/37/36/178933736.db2.gz IUSWKQHCVKDWHD-ZIAGYGMSSA-N 2 0 267.461 2.166 10 0 CEAERP Cc1c[nH+]ccc1N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000311788404 201896596 /nfs/dbraw/zinc/89/65/96/201896596.db2.gz ZPDANAQXDGRDBQ-LSDHHAIUSA-N 2 0 253.349 2.321 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369461 179039399 /nfs/dbraw/zinc/03/93/99/179039399.db2.gz BQHOLZRFWRSJAW-HOTGVXAUSA-N 2 0 295.471 2.084 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572823 179098577 /nfs/dbraw/zinc/09/85/77/179098577.db2.gz YYDFDCNBNCQDBU-CYBMUJFWSA-N 2 0 290.455 2.311 10 0 CEAERP C[N@@H+]1CC[C@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085607095 179101584 /nfs/dbraw/zinc/10/15/84/179101584.db2.gz ICLLHNOCNDJQIJ-ZDUSSCGKSA-N 2 0 274.412 2.063 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623238 179105068 /nfs/dbraw/zinc/10/50/68/179105068.db2.gz CWACPWVOOMSQJW-KBPBESRZSA-N 2 0 252.402 2.162 10 0 CEAERP Cc1nccn1CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623229 179106061 /nfs/dbraw/zinc/10/60/61/179106061.db2.gz XCFDSGGPGNPPOM-AWEZNQCLSA-N 2 0 276.428 2.188 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145820 179238590 /nfs/dbraw/zinc/23/85/90/179238590.db2.gz WYSKYIXBHULPOW-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP C[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173832 179244294 /nfs/dbraw/zinc/24/42/94/179244294.db2.gz NAUXHTDBOATSHJ-QGTPRVQTSA-N 2 0 285.435 2.258 10 0 CEAERP C[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086172098 179244404 /nfs/dbraw/zinc/24/44/04/179244404.db2.gz XLAQOGSEGPKNAC-UAGQMJEPSA-N 2 0 273.424 2.116 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086173254 179245093 /nfs/dbraw/zinc/24/50/93/179245093.db2.gz IWZTZLYHSKLYTH-KKUMJFAQSA-N 2 0 255.450 2.035 10 0 CEAERP C[C@H]1C[N@H+](CCCC[NH+](C)C)[C@H](c2ccccc2)CN1 ZINC000086174282 179245369 /nfs/dbraw/zinc/24/53/69/179245369.db2.gz UYIQENLLVUPAOZ-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174169 179245939 /nfs/dbraw/zinc/24/59/39/179245939.db2.gz UURGXJOOHOPTBW-ZACQAIPSSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1CCC[NH+](C)C ZINC000086217775 179249645 /nfs/dbraw/zinc/24/96/45/179249645.db2.gz VNVADRSTBNIORB-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@]1(C)CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217800 179249925 /nfs/dbraw/zinc/24/99/25/179249925.db2.gz IUNCVGYXDYFGCG-HOTGVXAUSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182480 179247590 /nfs/dbraw/zinc/24/75/90/179247590.db2.gz VSARDBRBUXOYIJ-FHLIZLRMSA-N 2 0 285.435 2.116 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259256 179258088 /nfs/dbraw/zinc/25/80/88/179258088.db2.gz LHOSADJYZMMTKL-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259604 179258273 /nfs/dbraw/zinc/25/82/73/179258273.db2.gz AFYUEYGOKHSYPI-IMJJTQAJSA-N 2 0 279.472 2.322 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259225 179258600 /nfs/dbraw/zinc/25/86/00/179258600.db2.gz OLRRCYQUADKSIX-OIISXLGYSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086260755 179260429 /nfs/dbraw/zinc/26/04/29/179260429.db2.gz KJYSALDPMHIMRG-ZACQAIPSSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H]1C[N@H+](CCc2ccc(OC)cc2)CCC[NH2+]1 ZINC000086269445 179262256 /nfs/dbraw/zinc/26/22/56/179262256.db2.gz AIIJNTHNQMZTCZ-OAHLLOKOSA-N 2 0 262.397 2.312 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086288678 179264192 /nfs/dbraw/zinc/26/41/92/179264192.db2.gz QHUMDRGROZEDIB-CABCVRRESA-N 2 0 267.461 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086289424 179264914 /nfs/dbraw/zinc/26/49/14/179264914.db2.gz UDQVSOHCKHEPTN-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258991 179256608 /nfs/dbraw/zinc/25/66/08/179256608.db2.gz KIDSLTRTDYUILB-MSOLQXFVSA-N 2 0 293.499 2.427 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@](C)(CC)C2)CC1 ZINC000086290264 179265574 /nfs/dbraw/zinc/26/55/74/179265574.db2.gz JUWANQHCOVJXJI-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293883 179267318 /nfs/dbraw/zinc/26/73/18/179267318.db2.gz ZWKHCECWTPEUHX-WMZOPIPTSA-N 2 0 286.419 2.454 10 0 CEAERP C[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317354 179269952 /nfs/dbraw/zinc/26/99/52/179269952.db2.gz VSZPLXYSJSYTRQ-BBRMVZONSA-N 2 0 255.365 2.447 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N3CCC([NH+](C)C)CC3)nc21 ZINC000086442781 179293868 /nfs/dbraw/zinc/29/38/68/179293868.db2.gz WIOOZIOLFWHTGL-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP COc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1Cl ZINC000086595165 179311130 /nfs/dbraw/zinc/31/11/30/179311130.db2.gz CZPLDJOXFKBAFW-AWEZNQCLSA-N 2 0 299.846 2.232 10 0 CEAERP COc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1 ZINC000086817082 179344867 /nfs/dbraw/zinc/34/48/67/179344867.db2.gz CLCVWFKZMRKVGG-OAHLLOKOSA-N 2 0 262.397 2.312 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847367 179356657 /nfs/dbraw/zinc/35/66/57/179356657.db2.gz WFMHOUJJZMEHII-LSDHHAIUSA-N 2 0 253.434 2.063 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(CC(C)C)C2CC2)CC1 ZINC000086848076 179356771 /nfs/dbraw/zinc/35/67/71/179356771.db2.gz DYIZYSRXZGWDAZ-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP C[N@@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086833509 179349829 /nfs/dbraw/zinc/34/98/29/179349829.db2.gz JHLUUDIQEWEIIA-HNNXBMFYSA-N 2 0 259.397 2.081 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840389 179351279 /nfs/dbraw/zinc/35/12/79/179351279.db2.gz HZDXCMZGWILONL-OAHLLOKOSA-N 2 0 295.471 2.097 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840335 179351340 /nfs/dbraw/zinc/35/13/40/179351340.db2.gz AHVJIPSJLXYKBQ-OAHLLOKOSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840928 179352781 /nfs/dbraw/zinc/35/27/81/179352781.db2.gz NUDNULNALDYOEY-MRXNPFEDSA-N 2 0 261.413 2.478 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842893 179352790 /nfs/dbraw/zinc/35/27/90/179352790.db2.gz TXARZUFEXHGWKK-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCc3sccc3C2)CC1 ZINC000086846313 179354932 /nfs/dbraw/zinc/35/49/32/179354932.db2.gz IJOZLKAYOUDTHD-INIZCTEOSA-N 2 0 293.480 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845745 179355432 /nfs/dbraw/zinc/35/54/32/179355432.db2.gz PJHKRZOVWRMSON-AWEZNQCLSA-N 2 0 270.417 2.184 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cscn2)CC1 ZINC000086845131 179355476 /nfs/dbraw/zinc/35/54/76/179355476.db2.gz NVRRTJDBBBVHTF-GFCCVEGCSA-N 2 0 253.415 2.150 10 0 CEAERP CCC[N@@H+]1CCC[C@@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086852815 179359078 /nfs/dbraw/zinc/35/90/78/179359078.db2.gz CEEBRIVTPNUDCJ-GJZGRUSLSA-N 2 0 254.418 2.146 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000086890949 179365981 /nfs/dbraw/zinc/36/59/81/179365981.db2.gz WLESKRAOAQFERQ-QLFBSQMISA-N 2 0 254.418 2.395 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000086891418 179366018 /nfs/dbraw/zinc/36/60/18/179366018.db2.gz PPJKADDOCRUZCF-BZUAXINKSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000086891309 179366271 /nfs/dbraw/zinc/36/62/71/179366271.db2.gz OCXUTLUPSKDHCL-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP CC1CCC(O)(C[NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000087045873 179388356 /nfs/dbraw/zinc/38/83/56/179388356.db2.gz KISXMMLNJZMIHR-SLTAFYQDSA-N 2 0 254.418 2.002 10 0 CEAERP C[NH+](C)C[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128894607 187397041 /nfs/dbraw/zinc/39/70/41/187397041.db2.gz IOGUZKWLZAWGEC-HZPDHXFCSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000087698846 179472658 /nfs/dbraw/zinc/47/26/58/179472658.db2.gz QKTWDTBCIFIHNG-CABCVRRESA-N 2 0 283.460 2.132 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N(C)CCC[NH+](C)C ZINC000104188082 185920052 /nfs/dbraw/zinc/92/00/52/185920052.db2.gz ADEHIZBFGUYFQJ-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP [NH3+]CCC1(C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000088417833 179597055 /nfs/dbraw/zinc/59/70/55/179597055.db2.gz YLTVPUHSGWSKRS-UHFFFAOYSA-N 2 0 250.308 2.390 10 0 CEAERP CC1(C)C[NH+]([C@H]2CCC[C@H](C[NH3+])C2)CC(C)(C)O1 ZINC000675054378 539704149 /nfs/dbraw/zinc/70/41/49/539704149.db2.gz VGMNCNBGPKCAQC-STQMWFEESA-N 2 0 254.418 2.393 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089391087 179778563 /nfs/dbraw/zinc/77/85/63/179778563.db2.gz PLBBAQXVYNRUNY-ZBFHGGJFSA-N 2 0 295.471 2.083 10 0 CEAERP Cc1csc(CC[NH2+]C[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089402804 179781637 /nfs/dbraw/zinc/78/16/37/179781637.db2.gz VTUKQKADEZRSBT-OLZOCXBDSA-N 2 0 267.442 2.349 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567190 180006263 /nfs/dbraw/zinc/00/62/63/180006263.db2.gz CLNFNXBAMHNIKI-DZGCQCFKSA-N 2 0 282.453 2.469 10 0 CEAERP CCC1(CC)CC[NH+](C[C@@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090621042 180014194 /nfs/dbraw/zinc/01/41/94/180014194.db2.gz UXMLQYIXUXDWOI-KGLIPLIRSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875336 180050626 /nfs/dbraw/zinc/05/06/26/180050626.db2.gz JRJMFLKFDWVOHM-IPYPFGDCSA-N 2 0 260.381 2.049 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878937 180053259 /nfs/dbraw/zinc/05/32/59/180053259.db2.gz XFAGXBIRFXFDNF-MLGOLLRUSA-N 2 0 292.398 2.449 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090891897 180053518 /nfs/dbraw/zinc/05/35/18/180053518.db2.gz YQJMFRIQPMUDRI-AWEZNQCLSA-N 2 0 280.387 2.307 10 0 CEAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892553 180054073 /nfs/dbraw/zinc/05/40/73/180054073.db2.gz BHCDSBNGQNSXOT-DOMZBBRYSA-N 2 0 278.371 2.061 10 0 CEAERP [NH3+]CCC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090895434 180056277 /nfs/dbraw/zinc/05/62/77/180056277.db2.gz JWDJGGBRNPZEMA-GJZGRUSLSA-N 2 0 278.371 2.333 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903685 180060276 /nfs/dbraw/zinc/06/02/76/180060276.db2.gz NRIHCBQEPNRKOO-RISCZKNCSA-N 2 0 280.799 2.185 10 0 CEAERP C[C@@H]1CCCCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958710 180074448 /nfs/dbraw/zinc/07/44/48/180074448.db2.gz XHTKXPOFDKZKIH-LLVKDONJSA-N 2 0 253.415 2.409 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960381 180075417 /nfs/dbraw/zinc/07/54/17/180075417.db2.gz AXBZZJDWWLNVRB-LLVKDONJSA-N 2 0 253.415 2.150 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090976061 180078807 /nfs/dbraw/zinc/07/88/07/180078807.db2.gz ZKNUYCWXHRZIFP-CQSZACIVSA-N 2 0 276.449 2.483 10 0 CEAERP CC(C)C[NH2+]Cc1nccn1CC[NH+]1CCCCC1 ZINC000091002736 180084214 /nfs/dbraw/zinc/08/42/14/180084214.db2.gz HKVQTILKLLBIPB-UHFFFAOYSA-N 2 0 264.417 2.115 10 0 CEAERP C[NH2+]CCC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019772 180087937 /nfs/dbraw/zinc/08/79/37/180087937.db2.gz KXLBBQMJUMRTIK-UHFFFAOYSA-N 2 0 272.396 2.384 10 0 CEAERP CCN(CC)C(=O)C[C@H](CN)[NH+]1CCC(CC)(CC)CC1 ZINC000091322909 180134543 /nfs/dbraw/zinc/13/45/43/180134543.db2.gz NDNIEIMLTDMRJE-OAHLLOKOSA-N 2 0 297.487 2.474 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091431450 180153666 /nfs/dbraw/zinc/15/36/66/180153666.db2.gz MIHKHZOYPUMDEP-KKUMJFAQSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH+](C)[C@H]1CCCN(Cc2oc3ccccc3c2C[NH3+])C1 ZINC000091433222 180153698 /nfs/dbraw/zinc/15/36/98/180153698.db2.gz JJQOWAQJLJUTEK-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432324 180153749 /nfs/dbraw/zinc/15/37/49/180153749.db2.gz CMXHSBPQBNQQMN-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC2(C[NH3+])CCCCCC2)C1 ZINC000091432886 180153892 /nfs/dbraw/zinc/15/38/92/180153892.db2.gz AJKFHDWDRAXKPP-HNNXBMFYSA-N 2 0 267.461 2.312 10 0 CEAERP COc1ccc(C[NH+]2CCC(C[NH3+])(SC)CC2)cc1 ZINC000091472988 180165556 /nfs/dbraw/zinc/16/55/56/180165556.db2.gz XTOGDLLZOTXSQY-UHFFFAOYSA-N 2 0 280.437 2.352 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCCCC1 ZINC000091490749 180169552 /nfs/dbraw/zinc/16/95/52/180169552.db2.gz PETVHMBUOQEQKN-UHFFFAOYSA-N 2 0 268.445 2.249 10 0 CEAERP CCC(CC)(C[NH2+]C(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091499467 180173932 /nfs/dbraw/zinc/17/39/32/180173932.db2.gz VHBWKUWRGDIIIZ-UHFFFAOYSA-N 2 0 270.461 2.494 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000091392508 180144783 /nfs/dbraw/zinc/14/47/83/180144783.db2.gz DCOJPCRXYMJJMT-CVEARBPZSA-N 2 0 261.413 2.103 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091391781 180144818 /nfs/dbraw/zinc/14/48/18/180144818.db2.gz BPPOMRWVMVSMHK-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000091394206 180145631 /nfs/dbraw/zinc/14/56/31/180145631.db2.gz IOAKGEUARAZLDG-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)C1 ZINC000091394402 180146393 /nfs/dbraw/zinc/14/63/93/180146393.db2.gz SLECYVZKBGWSRI-MNOVXSKESA-N 2 0 287.860 2.427 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091430271 180152669 /nfs/dbraw/zinc/15/26/69/180152669.db2.gz OBNDZVZXMCBFNT-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)([C@H]([NH3+])CC1CCOCC1)[NH+]1CCCCC1 ZINC000091564491 180193115 /nfs/dbraw/zinc/19/31/15/180193115.db2.gz DERSDXQLBLSEEZ-CQSZACIVSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@](C)([C@H]([NH2+]C)C1CCOCC1)[NH+]1CCCC1 ZINC000091605995 180204167 /nfs/dbraw/zinc/20/41/67/180204167.db2.gz OCOOJIJZSPSBPG-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)C1([C@H](O)Cc2c[nH+]ccc2N)CCCC1 ZINC000091638858 180212190 /nfs/dbraw/zinc/21/21/90/180212190.db2.gz BYZHDLNRJDJCRY-OAHLLOKOSA-N 2 0 277.412 2.222 10 0 CEAERP CC[NH+](CC)C1([C@@H](N)Cc2c[nH+]ccc2N)CCCC1 ZINC000091639119 180212581 /nfs/dbraw/zinc/21/25/81/180212581.db2.gz WQOWXDSHFGBGLL-HNNXBMFYSA-N 2 0 276.428 2.188 10 0 CEAERP C[NH2+][C@@H]([C@@H]1CCOC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640856 180213381 /nfs/dbraw/zinc/21/33/81/180213381.db2.gz ZABQPVOOKBPTSG-KGLIPLIRSA-N 2 0 252.402 2.020 10 0 CEAERP C[NH+](C)C1([C@H](N)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091654096 180216754 /nfs/dbraw/zinc/21/67/54/180216754.db2.gz YXXSTSVPAOOTFU-OAHLLOKOSA-N 2 0 276.428 2.188 10 0 CEAERP C[NH2+][C@H]([C@@H]1CCOC1)[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652570 180216837 /nfs/dbraw/zinc/21/68/37/180216837.db2.gz ZLZOFCCYAJFHSO-TUVASFSCSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH2+][C@H](CC[NH+](CC)CC)Cc1ncnn1CC(C)C ZINC000091716359 180232107 /nfs/dbraw/zinc/23/21/07/180232107.db2.gz CROJKIOOLRARNG-OAHLLOKOSA-N 2 0 295.475 2.187 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722538 180240794 /nfs/dbraw/zinc/24/07/94/180240794.db2.gz HWZCTRHRJPKFKX-UTUOFQBUSA-N 2 0 293.436 2.276 10 0 CEAERP CCC[NH2+]Cc1sc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723138 180241486 /nfs/dbraw/zinc/24/14/86/180241486.db2.gz PJMZBHANTBIVBA-OLZOCXBDSA-N 2 0 295.452 2.487 10 0 CEAERP CCC(CC)NC(=O)[C@H](C)[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091851011 180272415 /nfs/dbraw/zinc/27/24/15/180272415.db2.gz RIAFSDAKTHTGRI-OPFPJEHXSA-N 2 0 283.460 2.272 10 0 CEAERP C[N@H+]([C@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843754 180269165 /nfs/dbraw/zinc/26/91/65/180269165.db2.gz HOFHJGYEYRFIAK-MGULZYLOSA-N 2 0 262.353 2.027 10 0 CEAERP CC[N@H+]([C@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091850090 180271777 /nfs/dbraw/zinc/27/17/77/180271777.db2.gz JNAPDAAJQDLPNG-LMWSTFAQSA-N 2 0 250.390 2.073 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870563 180276879 /nfs/dbraw/zinc/27/68/79/180276879.db2.gz GMXULRMLHLCJPK-QQFBHYJXSA-N 2 0 295.471 2.240 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H](C)c2cn(C)nc2C)CC1 ZINC000091871292 180276938 /nfs/dbraw/zinc/27/69/38/180276938.db2.gz HXJLRJHWLMLOFQ-HSBZDZAISA-N 2 0 264.417 2.252 10 0 CEAERP CC(C)(C)C1CCC(C[NH3+])(C2(O)CC[NH2+]CC2)CC1 ZINC000091907166 180283871 /nfs/dbraw/zinc/28/38/71/180283871.db2.gz VWOJMSAUKKDTEM-UHFFFAOYSA-N 2 0 268.445 2.282 10 0 CEAERP Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996217 180301752 /nfs/dbraw/zinc/30/17/52/180301752.db2.gz ZOZGXGWBIPMCGJ-TZMCWYRMSA-N 2 0 263.385 2.045 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003345 180304373 /nfs/dbraw/zinc/30/43/73/180304373.db2.gz VRWZYNKIBVEPBQ-CVEARBPZSA-N 2 0 288.439 2.254 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003887 180304669 /nfs/dbraw/zinc/30/46/69/180304669.db2.gz HXYMNACQSWVBRF-MSOLQXFVSA-N 2 0 287.451 2.465 10 0 CEAERP c1ccc(C[NH+]2CCC(NC3=[NH+]CCC3)CC2)cc1 ZINC000105690690 186069118 /nfs/dbraw/zinc/06/91/18/186069118.db2.gz DUDDAPYXJMSJTO-UHFFFAOYSA-N 2 0 257.381 2.433 10 0 CEAERP C[C@H]1C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000092082139 180319894 /nfs/dbraw/zinc/31/98/94/180319894.db2.gz LCFCJPOCONEKMJ-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP C[C@H]1C[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082048 180319937 /nfs/dbraw/zinc/31/99/37/180319937.db2.gz JMNXXPZEOATMSG-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP CCCCC[C@](C)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000106025511 186098361 /nfs/dbraw/zinc/09/83/61/186098361.db2.gz NSAIOWDHSHIKRJ-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP C[N@H+](Cc1cccc(Cl)n1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092366907 180369248 /nfs/dbraw/zinc/36/92/48/180369248.db2.gz ZUNAABOWFYBDTR-ZYHUDNBSSA-N 2 0 253.777 2.294 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@@H](C)C[NH+]2CCCC2)=[NH+]1 ZINC000092402664 180378006 /nfs/dbraw/zinc/37/80/06/180378006.db2.gz BOGISNPXHNDSHJ-CHWSQXEVSA-N 2 0 269.458 2.435 10 0 CEAERP CCCNc1cc[nH+]c(CN(C)CCC[NH+](C)C)c1 ZINC000092419248 180382673 /nfs/dbraw/zinc/38/26/73/180382673.db2.gz DDZNAQWQRLFVHA-UHFFFAOYSA-N 2 0 264.417 2.287 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CC[N@@H+]1C ZINC000107906984 186197237 /nfs/dbraw/zinc/19/72/37/186197237.db2.gz YXYRBVBYUXMPCO-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000109603706 186266651 /nfs/dbraw/zinc/26/66/51/186266651.db2.gz JWINACLOKWVNFM-CQSZACIVSA-N 2 0 294.370 2.060 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000109603637 186267096 /nfs/dbraw/zinc/26/70/96/186267096.db2.gz SJPGBTGEOKZXQE-HUUCEWRRSA-N 2 0 282.428 2.169 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)CC1CCCC1 ZINC000110841214 186328055 /nfs/dbraw/zinc/32/80/55/186328055.db2.gz CKBUGZLLJWOTOH-OAHLLOKOSA-N 2 0 270.417 2.169 10 0 CEAERP CN([C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000110926424 186334042 /nfs/dbraw/zinc/33/40/42/186334042.db2.gz YYNBQKSWHOOWKA-ZWKOTPCHSA-N 2 0 287.451 2.335 10 0 CEAERP CCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000110936615 186334960 /nfs/dbraw/zinc/33/49/60/186334960.db2.gz VMNQQSFZQQCBFM-QZTJIDSGSA-N 2 0 287.451 2.335 10 0 CEAERP COc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704701 186314670 /nfs/dbraw/zinc/31/46/70/186314670.db2.gz VDKHMLKETKHVBN-BBRMVZONSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000110711424 186315378 /nfs/dbraw/zinc/31/53/78/186315378.db2.gz SUJWYNGZGAAXHF-CQSZACIVSA-N 2 0 281.469 2.391 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)C[C@@H]1C ZINC000110708697 186316680 /nfs/dbraw/zinc/31/66/80/186316680.db2.gz HUHXECVPSYMULR-BBRMVZONSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@H]1C[N@H+](CCCCC[NH2+]C(C)C)CCN1C ZINC000110753798 186320603 /nfs/dbraw/zinc/32/06/03/186320603.db2.gz XLALXLPHIRJJOE-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H]1CN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC[N@@H+]1C ZINC000110760236 186323272 /nfs/dbraw/zinc/32/32/72/186323272.db2.gz KBBQACVXTPDVBL-NSHDSACASA-N 2 0 296.484 2.430 10 0 CEAERP CCCc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1C[NH2+]C ZINC000110760445 186323658 /nfs/dbraw/zinc/32/36/58/186323658.db2.gz IGNKHXAWEIIQET-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP C[NH+](C)CC1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039672 186347180 /nfs/dbraw/zinc/34/71/80/186347180.db2.gz DCAWAZKCMLPOMX-OAHLLOKOSA-N 2 0 297.393 2.238 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)CCC[NH+](C)C)c(C)o1 ZINC000111150153 186360858 /nfs/dbraw/zinc/36/08/58/186360858.db2.gz UGUGZWLQAWLANY-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP Cc1oc(CN(C)CC[NH+](C)C)cc1C[NH2+]CC(C)C ZINC000111149865 186361025 /nfs/dbraw/zinc/36/10/25/186361025.db2.gz IPHNZSBSYOPLKN-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP CCOCC[N@H+](CC)CCOc1ccc(C[NH2+]C)cc1 ZINC000111124047 186355074 /nfs/dbraw/zinc/35/50/74/186355074.db2.gz IAKLTACBJGCDDA-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)c1 ZINC000111133669 186355846 /nfs/dbraw/zinc/35/58/46/186355846.db2.gz ZHASGUGLLCEVEN-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111131587 186355869 /nfs/dbraw/zinc/35/58/69/186355869.db2.gz KLKJNIIVANFGIZ-YPMHNXCESA-N 2 0 255.431 2.020 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC[NH+](C)C ZINC000111129996 186355919 /nfs/dbraw/zinc/35/59/19/186355919.db2.gz XKOQBFSEBYUZBG-HUUCEWRRSA-N 2 0 267.392 2.098 10 0 CEAERP C[C@@H](C[C@H](C[NH3+])N(C)CC[NH+](C)C)c1ccccc1 ZINC000111132945 186355944 /nfs/dbraw/zinc/35/59/44/186355944.db2.gz VLGJJNFLIHZGHL-GOEBONIOSA-N 2 0 263.429 2.001 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C ZINC000111130918 186355959 /nfs/dbraw/zinc/35/59/59/186355959.db2.gz LPQCLIBDUUAOCG-OLZOCXBDSA-N 2 0 269.458 2.328 10 0 CEAERP CN(CC[NH+](C)C)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000111129250 186356645 /nfs/dbraw/zinc/35/66/45/186356645.db2.gz VVVCIYSIMKIQTQ-UHFFFAOYSA-N 2 0 275.318 2.162 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)CC[NH+](C)C ZINC000111134626 186357683 /nfs/dbraw/zinc/35/76/83/186357683.db2.gz JBARFBNHAHLFNR-ILXRZTDVSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1ccccc1C ZINC000111146966 186358711 /nfs/dbraw/zinc/35/87/11/186358711.db2.gz SBRPGUUBRCVPIS-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP CCC[NH2+][C@@H](CCN(C)CC[NH+](C)C)C(C)(C)C ZINC000111146789 186358900 /nfs/dbraw/zinc/35/89/00/186358900.db2.gz KHOITNLTHGXSPZ-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111148248 186359004 /nfs/dbraw/zinc/35/90/04/186359004.db2.gz BJXRXSSJDYVNLV-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@H]([NH3+])c1cccc(F)c1 ZINC000111147664 186359465 /nfs/dbraw/zinc/35/94/65/186359465.db2.gz CDELGTGEDWQGFR-HNNXBMFYSA-N 2 0 267.392 2.099 10 0 CEAERP CN(CCC[NH+](C)C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000111151401 186360238 /nfs/dbraw/zinc/36/02/38/186360238.db2.gz SUXBJZAMGVVGEI-UHFFFAOYSA-N 2 0 284.473 2.419 10 0 CEAERP CN(CCC[NH+](C)C)Cc1c2ccccc2oc1C[NH3+] ZINC000111150140 186360246 /nfs/dbraw/zinc/36/02/46/186360246.db2.gz LUFNMCZDSIGDLZ-UHFFFAOYSA-N 2 0 275.396 2.275 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)C2CC2)CCCOC1 ZINC000111324705 186399251 /nfs/dbraw/zinc/39/92/51/186399251.db2.gz KVQUUSPWSNBNFQ-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP Cc1cccc(C[N@@H+](C)C[C@@]2(C[NH3+])CCCOC2)c1 ZINC000111328775 186399914 /nfs/dbraw/zinc/39/99/14/186399914.db2.gz WZBVZAINFVMZFZ-INIZCTEOSA-N 2 0 262.397 2.182 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2cscn2)CC1 ZINC000111626695 186433459 /nfs/dbraw/zinc/43/34/59/186433459.db2.gz CNYZDOYSEXMFMY-LBPRGKRZSA-N 2 0 267.442 2.396 10 0 CEAERP Cc1c[nH+]ccc1N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630525336 351772648 /nfs/dbraw/zinc/77/26/48/351772648.db2.gz DSWQDTHQYVQWFP-QWRGUYRKSA-N 2 0 273.302 2.354 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000093515576 539851487 /nfs/dbraw/zinc/85/14/87/539851487.db2.gz UWTPUWTWEDSHBP-BARDWOONSA-N 2 0 254.418 2.190 10 0 CEAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250808533 539968847 /nfs/dbraw/zinc/96/88/47/539968847.db2.gz CWOZNEXTFRSPGE-XFIYOXNOSA-N 2 0 266.429 2.190 10 0 CEAERP CCCCOC(=O)CN1CCC[C@@H](n2ccnc2CC)C1 ZINC000155230468 188192275 /nfs/dbraw/zinc/19/22/75/188192275.db2.gz RIONBSJFGILFBN-CQSZACIVSA-N 2 0 293.411 2.426 10 0 CEAERP CCOCc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132181865 366124116 /nfs/dbraw/zinc/12/41/16/366124116.db2.gz LFZFORDMFDIVHP-AWEZNQCLSA-N 2 0 262.397 2.312 10 0 CEAERP CCO[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316047 540134336 /nfs/dbraw/zinc/13/43/36/540134336.db2.gz WUFYWTKKLIJVBG-JHJVBQTASA-N 2 0 276.371 2.108 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000390517799 540390613 /nfs/dbraw/zinc/39/06/13/540390613.db2.gz DOKJSBAJAKZJOK-VNQPRFMTSA-N 2 0 262.397 2.451 10 0 CEAERP C[N@H+](CCC[NH2+]C1CCC([NH3+])CC1)Cc1ccccc1 ZINC000094074291 364250454 /nfs/dbraw/zinc/25/04/54/364250454.db2.gz MZTZTVWTOXHGLE-UHFFFAOYSA-N 3 0 275.440 2.368 10 0 CEAERP C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@H]1C[NH3+] ZINC000631838849 367579330 /nfs/dbraw/zinc/57/93/30/367579330.db2.gz WDJCWRDVLLRQJD-GOEBONIOSA-N 2 0 262.397 2.120 10 0 CEAERP C[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246227732 370932317 /nfs/dbraw/zinc/93/23/17/370932317.db2.gz RWXNHSBGCUMMRV-FUHWJXTLSA-N 2 0 288.435 2.312 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261588178 371665433 /nfs/dbraw/zinc/66/54/33/371665433.db2.gz KAWQKENHNMRJPA-CWRNSKLLSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]12 ZINC000261601286 371672204 /nfs/dbraw/zinc/67/22/04/371672204.db2.gz BTJFFPKXIZKUDZ-BHYGNILZSA-N 3 0 282.391 2.041 10 0 CEAERP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261549254 371643987 /nfs/dbraw/zinc/64/39/87/371643987.db2.gz OKYAYGMRFVEIPI-KBAYOESNSA-N 2 0 287.451 2.381 10 0 CEAERP COc1ccc2oc(CN3C[C@H](C)[C@H]([NH3+])C3)cc2c1 ZINC000262071184 371818855 /nfs/dbraw/zinc/81/88/55/371818855.db2.gz SAXXBOKSVFQXRO-IINYFYTJSA-N 2 0 260.337 2.220 10 0 CEAERP C[C@@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090525 371821652 /nfs/dbraw/zinc/82/16/52/371821652.db2.gz USWLHFOVEYPWRN-KDOFPFPSSA-N 2 0 297.402 2.440 10 0 CEAERP CCOCC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@@H]1CC ZINC000274320572 373878056 /nfs/dbraw/zinc/87/80/56/373878056.db2.gz CQJFMKNLZIDOGC-HNNXBMFYSA-N 2 0 277.412 2.327 10 0 CEAERP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3C2)C[C@@]1(C)C[NH3+] ZINC000388553627 375292870 /nfs/dbraw/zinc/29/28/70/375292870.db2.gz WQWILFUKFIPSMH-KBRIMQKVSA-N 2 0 258.409 2.461 10 0 CEAERP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH2+]CC2)CCC1 ZINC000386803955 375266281 /nfs/dbraw/zinc/26/62/81/375266281.db2.gz CFEAICBTXKZPDV-UHFFFAOYSA-N 2 0 287.451 2.383 10 0 CEAERP FC(F)(F)C1CCC(C[NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000414882967 376011021 /nfs/dbraw/zinc/01/10/21/376011021.db2.gz NDGDRECCLGJVDP-VQXHTEKXSA-N 2 0 250.308 2.307 10 0 CEAERP C1CCC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCO[C@H]12 ZINC000423021596 376936761 /nfs/dbraw/zinc/93/67/61/376936761.db2.gz CLIQTDUMWUUKPR-LXTVHRRPSA-N 2 0 264.413 2.066 10 0 CEAERP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793838 379503972 /nfs/dbraw/zinc/50/39/72/379503972.db2.gz LMRGSNMODHOYFS-DOTOQJQBSA-N 2 0 275.440 2.096 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000043412710 184559803 /nfs/dbraw/zinc/55/98/03/184559803.db2.gz SEOMFULRHRPDFA-LBPRGKRZSA-N 2 0 292.427 2.429 10 0 CEAERP CC[NH2+][C@](C)(CO)CCC[NH+]1CCCCCCC1 ZINC000085216594 184605295 /nfs/dbraw/zinc/60/52/95/184605295.db2.gz MWCAFOLJSFCCCP-HNNXBMFYSA-N 2 0 256.434 2.393 10 0 CEAERP CC1(C)CC(N[C@@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)[NH2+]1 ZINC000093210383 184655912 /nfs/dbraw/zinc/65/59/12/184655912.db2.gz BHVCIDCRAGOYIX-VXGBXAGGSA-N 2 0 253.434 2.155 10 0 CEAERP CCC[NH2+][C@H]1[C@@H](N(C)CCC[NH+](C)C)CCC1(C)C ZINC000094306255 184778696 /nfs/dbraw/zinc/77/86/96/184778696.db2.gz YDXQHNYBVRNOFZ-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC1(C)CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)[C@H]1O ZINC000094310328 184778850 /nfs/dbraw/zinc/77/88/50/184778850.db2.gz ZXVMUTKMJKHFDM-HZPDHXFCSA-N 2 0 280.456 2.344 10 0 CEAERP C[NH2+][C@H]1COC[C@H]1C[N@H+](C)C1CCC(C)(C)CC1 ZINC000094859485 184883172 /nfs/dbraw/zinc/88/31/72/184883172.db2.gz AWMJJHOICVVVEG-OCCSQVGLSA-N 2 0 254.418 2.121 10 0 CEAERP C[NH2+][C@H]1COC[C@@H]1C[NH2+]CC1(CC(C)C)CCCC1 ZINC000094879336 184886300 /nfs/dbraw/zinc/88/63/00/184886300.db2.gz BQUHCTLUSCHGMS-GJZGRUSLSA-N 2 0 268.445 2.417 10 0 CEAERP CC[C@@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000087535361 135050807 /nfs/dbraw/zinc/05/08/07/135050807.db2.gz OHCHBSDWBCNCGI-INIZCTEOSA-N 2 0 275.440 2.410 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000089482624 135059309 /nfs/dbraw/zinc/05/93/09/135059309.db2.gz MBEDZBDJCJJUSN-JKSUJKDBSA-N 2 0 273.424 2.184 10 0 CEAERP C[C@H]1CCc2ccccc2N1CC[NH+]1CCC([NH3+])CC1 ZINC000092721227 135076830 /nfs/dbraw/zinc/07/68/30/135076830.db2.gz MGFQJZANEXCONC-AWEZNQCLSA-N 2 0 273.424 2.251 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000093220983 135079937 /nfs/dbraw/zinc/07/99/37/135079937.db2.gz IMJFYFAXFCNYBI-WBVHZDCISA-N 2 0 273.424 2.387 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093551576 135081830 /nfs/dbraw/zinc/08/18/30/135081830.db2.gz SUJFKORTSBVGFC-NVXWUHKLSA-N 2 0 273.424 2.326 10 0 CEAERP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301635526 394463523 /nfs/dbraw/zinc/46/35/23/394463523.db2.gz DXRZOIZSIGBWSC-DLBZAZTESA-N 2 0 283.375 2.062 10 0 CEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000247337529 394529488 /nfs/dbraw/zinc/52/94/88/394529488.db2.gz NIOYDKZMOLYKFX-PMPSAXMXSA-N 2 0 295.471 2.096 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000423027998 394884846 /nfs/dbraw/zinc/88/48/46/394884846.db2.gz SETUTBIUCYQKRE-REWJHTLYSA-N 2 0 254.418 2.168 10 0 CEAERP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000415091316 394885898 /nfs/dbraw/zinc/88/58/98/394885898.db2.gz YWXGIWJAKZCZAS-PWSUYJOCSA-N 2 0 268.788 2.436 10 0 CEAERP CO[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189698 395161654 /nfs/dbraw/zinc/16/16/54/395161654.db2.gz IHIAWLZKSJYLFI-JKSUJKDBSA-N 2 0 262.397 2.448 10 0 CEAERP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000185204510 395278415 /nfs/dbraw/zinc/27/84/15/395278415.db2.gz KJZAXTYXQYOLTI-HRCADAONSA-N 2 0 298.471 2.015 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000263159815 154029270 /nfs/dbraw/zinc/02/92/70/154029270.db2.gz DSQBHXJIMJNLDS-GOEBONIOSA-N 2 0 288.416 2.085 10 0 CEAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@@H]1CC[NH2+]C1 ZINC000400725471 287051344 /nfs/dbraw/zinc/05/13/44/287051344.db2.gz PFYCRVUVWUJGLI-DMDPSCGWSA-N 2 0 262.353 2.064 10 0 CEAERP OC1(C[NH+]2CCC(Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000019685495 170840082 /nfs/dbraw/zinc/84/00/82/170840082.db2.gz SDTXOPHHXXHUND-UHFFFAOYSA-N 2 0 288.435 2.056 10 0 CEAERP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020316005 171146563 /nfs/dbraw/zinc/14/65/63/171146563.db2.gz FQOYMIIAGMGLER-ZIAGYGMSSA-N 2 0 271.449 2.001 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NCCC[NH+](C)C)C1 ZINC000037210226 173033042 /nfs/dbraw/zinc/03/30/42/173033042.db2.gz QYLUWPAVVBVCJP-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[C@@H](CN[C@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221707 173041907 /nfs/dbraw/zinc/04/19/07/173041907.db2.gz XAWYRTURERWXRS-OAGGEKHMSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)Oc1cccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)c1 ZINC000040640965 174364483 /nfs/dbraw/zinc/36/44/83/174364483.db2.gz KADQUTRUBBJRDB-KRWDZBQOSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694454 174378289 /nfs/dbraw/zinc/37/82/89/174378289.db2.gz VFTCLPYXKZHURU-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H](c1ccc2c(c1)OCO2)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749118 174393701 /nfs/dbraw/zinc/39/37/01/174393701.db2.gz MIODCGUUJWZVMZ-NDNKKMJESA-N 2 0 274.364 2.430 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000040803585 174409364 /nfs/dbraw/zinc/40/93/64/174409364.db2.gz VIRCWSITHZUHHF-UHFFFAOYSA-N 2 0 283.460 2.145 10 0 CEAERP CCC1CCC([NH2+]C[C@@H](O)C[NH+](CC)CC)CC1 ZINC000042580258 174804704 /nfs/dbraw/zinc/80/47/04/174804704.db2.gz ZDVJSYNFRPEWCT-YMAMQOFZSA-N 2 0 256.434 2.248 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)C)CC1 ZINC000043335156 175011140 /nfs/dbraw/zinc/01/11/40/175011140.db2.gz CPBKUEIEVZWIHX-DZGCQCFKSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335169 175011161 /nfs/dbraw/zinc/01/11/61/175011161.db2.gz PKEXNEJEJOWQTP-HIFRSBDPSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335173 175011298 /nfs/dbraw/zinc/01/12/98/175011298.db2.gz PKEXNEJEJOWQTP-UKRRQHHQSA-N 2 0 265.401 2.084 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC([NH+](C)C)CC2)o1 ZINC000043364375 175024771 /nfs/dbraw/zinc/02/47/71/175024771.db2.gz PNIGWRCDUFUCMQ-WFASDCNBSA-N 2 0 265.401 2.002 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C(C)C)CC1 ZINC000043364371 175024929 /nfs/dbraw/zinc/02/49/29/175024929.db2.gz ZGKUKRYMEZXFAU-GDBMZVCRSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC1 ZINC000043805266 175107614 /nfs/dbraw/zinc/10/76/14/175107614.db2.gz REDYTRDVNYKNBM-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1CN1CC[NH+](C)CC1 ZINC000043810645 175109692 /nfs/dbraw/zinc/10/96/92/175109692.db2.gz QVEGALJDBDLLOL-CQSZACIVSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810675 175109871 /nfs/dbraw/zinc/10/98/71/175109871.db2.gz DQCOFEPZSZHUID-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810802 175110198 /nfs/dbraw/zinc/11/01/98/175110198.db2.gz MSCYFFOVTCFSSC-WBVHZDCISA-N 2 0 275.440 2.282 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818566 175114148 /nfs/dbraw/zinc/11/41/48/175114148.db2.gz APBRFWDMSNIVBF-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897207 175120090 /nfs/dbraw/zinc/12/00/90/175120090.db2.gz WYRKVOVEBFGDFA-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCOc1ccc([C@H](C)[NH2+]C)cc1C[N@H+](C)CCOC ZINC000043915646 175124821 /nfs/dbraw/zinc/12/48/21/175124821.db2.gz XQIJIFQAVBCNDJ-ZDUSSCGKSA-N 2 0 280.412 2.444 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967621 175129002 /nfs/dbraw/zinc/12/90/02/175129002.db2.gz SWIPXXARLGGXLM-ROUUACIJSA-N 2 0 285.435 2.042 10 0 CEAERP CC[NH+](CC)CCCNC(=O)C1(C[NH3+])CCCCCC1 ZINC000044753197 175245581 /nfs/dbraw/zinc/24/55/81/175245581.db2.gz ZAFQMOLKBSXANF-UHFFFAOYSA-N 2 0 283.460 2.134 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@@H]2C2CCCC2)CC1 ZINC000045071326 175301581 /nfs/dbraw/zinc/30/15/81/175301581.db2.gz UVZXGULPDGPQMN-MRXNPFEDSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@H](CNC1=[NH+]C[C@H](c2ccccc2)S1)[NH+](C)C ZINC000045108732 175308776 /nfs/dbraw/zinc/30/87/76/175308776.db2.gz DJOGOWISPFTNJH-DGCLKSJQSA-N 2 0 263.410 2.370 10 0 CEAERP CC[NH2+][C@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379620 175368669 /nfs/dbraw/zinc/36/86/69/175368669.db2.gz IBLIUIHYCZUBQN-OFQRWUPVSA-N 2 0 283.460 2.273 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384159 175370642 /nfs/dbraw/zinc/37/06/42/175370642.db2.gz WYEIHFLHMHJENA-HOCLYGCPSA-N 2 0 283.460 2.275 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C[C@@H](C)CC ZINC000045388622 175373818 /nfs/dbraw/zinc/37/38/18/175373818.db2.gz GDRQRZKGTFGXBA-JSGCOSHPSA-N 2 0 258.406 2.025 10 0 CEAERP c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071090729 176031613 /nfs/dbraw/zinc/03/16/13/176031613.db2.gz NXFSQECFJVEKRN-KSSFIOAISA-N 2 0 286.419 2.374 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000071124744 176035179 /nfs/dbraw/zinc/03/51/79/176035179.db2.gz FLYTVIGXTXNBTF-BRWVUGGUSA-N 2 0 279.472 2.454 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000071188493 176062666 /nfs/dbraw/zinc/06/26/66/176062666.db2.gz MQPXXONSEYCVPG-RISCZKNCSA-N 2 0 299.821 2.362 10 0 CEAERP CCC[C@@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190953 176067443 /nfs/dbraw/zinc/06/74/43/176067443.db2.gz GWXAJOMWRAKSMP-HZPDHXFCSA-N 2 0 267.461 2.040 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191378 176070595 /nfs/dbraw/zinc/07/05/95/176070595.db2.gz KGFLDFOJWAAJTR-OWCLPIDISA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[NH2+]CCCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191858 176071548 /nfs/dbraw/zinc/07/15/48/176071548.db2.gz UMZWYLSQHZJYNF-HNNXBMFYSA-N 3 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H](C)c1sc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1C ZINC000071192494 176074565 /nfs/dbraw/zinc/07/45/65/176074565.db2.gz DHTQTFLPWFRAFL-ZYHUDNBSSA-N 2 0 282.457 2.120 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071193055 176075583 /nfs/dbraw/zinc/07/55/83/176075583.db2.gz SEMXLSUOOFLKOU-QWHCGFSZSA-N 2 0 290.411 2.122 10 0 CEAERP CCOC1CC[NH+](Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267742 176101075 /nfs/dbraw/zinc/10/10/75/176101075.db2.gz KTUIATNABCXOOB-UHFFFAOYSA-N 2 0 279.359 2.111 10 0 CEAERP CC(C)C[NH2+]CCCCCC[N@H+](C)CCN(C)C ZINC000071290138 176110731 /nfs/dbraw/zinc/11/07/31/176110731.db2.gz DEVMTLRZQXKENZ-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP C[N@H+](CCNC1=[NH+]C(C)(C)CS1)C1CCCC1 ZINC000071377723 176143001 /nfs/dbraw/zinc/14/30/01/176143001.db2.gz VFHWVJADVQAIIU-UHFFFAOYSA-N 2 0 255.431 2.332 10 0 CEAERP CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000071401064 176153585 /nfs/dbraw/zinc/15/35/85/176153585.db2.gz DKRDJVMVNMHFOH-CVEARBPZSA-N 2 0 291.439 2.169 10 0 CEAERP CC(C)NC(=[NH2+])NC(=[NH2+])Nc1cccc(Cl)c1 ZINC000077285791 177248699 /nfs/dbraw/zinc/24/86/99/177248699.db2.gz BFYUUFXHCWYHFE-UHFFFAOYSA-N 2 0 253.737 2.209 10 0 in-vitro CEAERP C[C@H]([NH3+])CC[NH2+]Cc1csc(Br)c1 ZINC000398010711 270355860 /nfs/dbraw/zinc/35/58/60/270355860.db2.gz SMGGLOMUQMENMT-ZETCQYMHSA-N 2 0 263.204 2.338 10 0 CEAERP O[C@@H]1CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000424335017 271047383 /nfs/dbraw/zinc/04/73/83/271047383.db2.gz WGDMJXCMZQWAJA-PYWTVGQWSA-N 2 0 286.419 2.295 10 0 CEAERP COCC[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@H]1C ZINC000174735325 274031158 /nfs/dbraw/zinc/03/11/58/274031158.db2.gz RXYFWVLPQIJLLS-CQSZACIVSA-N 2 0 285.391 2.392 10 0 CEAERP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000181742119 276463016 /nfs/dbraw/zinc/46/30/16/276463016.db2.gz FPOCOMUCQRAIGJ-OWCLPIDISA-N 2 0 268.445 2.392 10 0 CEAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767030 278284192 /nfs/dbraw/zinc/28/41/92/278284192.db2.gz ZIFSOCWJOPTZAH-YQQAZPJKSA-N 2 0 275.440 2.095 10 0 CEAERP FC(F)(F)c1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000398350895 280693316 /nfs/dbraw/zinc/69/33/16/280693316.db2.gz ZSWZEEMMVWKYIW-LLVKDONJSA-N 2 0 258.287 2.405 10 0 CEAERP Cc1ccc2[nH+]ccc(N3CCO[C@@H](C[NH+](C)C)C3)c2c1 ZINC000185655223 281169566 /nfs/dbraw/zinc/16/95/66/281169566.db2.gz NLWGMSUFPCMIGF-AWEZNQCLSA-N 2 0 285.391 2.310 10 0 CEAERP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000124259729 290125059 /nfs/dbraw/zinc/12/50/59/290125059.db2.gz OVRYNKHTZIVBCE-HOTGVXAUSA-N 2 0 268.445 2.488 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCC(F)(F)C3)C[C@@H]12 ZINC000261588649 295321255 /nfs/dbraw/zinc/32/12/55/295321255.db2.gz VVCVOOPZBVQQKM-UMSGYPCISA-N 2 0 258.356 2.481 10 0 CEAERP C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000384401574 321852581 /nfs/dbraw/zinc/85/25/81/321852581.db2.gz CQQPNEXZCJDUBQ-UONOGXRCSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182199 519742712 /nfs/dbraw/zinc/74/27/12/519742712.db2.gz CGHVENYWUJIVPX-OAHLLOKOSA-N 2 0 268.445 2.371 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CC)O1 ZINC000052375339 519924711 /nfs/dbraw/zinc/92/47/11/519924711.db2.gz GXJSFYMCAIORJI-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055079318 520100425 /nfs/dbraw/zinc/10/04/25/520100425.db2.gz MTTKYKDINHJYEL-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978940 520116332 /nfs/dbraw/zinc/11/63/32/520116332.db2.gz DYBWOZZIYQBFEI-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)CCCc1ccccc1 ZINC000062740942 520516135 /nfs/dbraw/zinc/51/61/35/520516135.db2.gz RMBZGWZOIZGQFU-INIZCTEOSA-N 2 0 264.413 2.305 10 0 CEAERP CC[N@H+](C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052452239 521229911 /nfs/dbraw/zinc/22/99/11/521229911.db2.gz SXWFHEYXQVECFI-KGLIPLIRSA-N 2 0 254.418 2.406 10 0 CEAERP CC[N@@H+](Cc1cc(C[NH3+])oc1C)C[C@H]1CCCO1 ZINC000052510885 521289650 /nfs/dbraw/zinc/28/96/50/521289650.db2.gz UEPDORQWTFUOKQ-CYBMUJFWSA-N 2 0 252.358 2.048 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543966 522193541 /nfs/dbraw/zinc/19/35/41/522193541.db2.gz XMJVFATWWMBBEA-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP C(CN1CCCC[C@@H]1C[NH2+]C1CC1)C[NH+]1CCCC1 ZINC000053652253 518387265 /nfs/dbraw/zinc/38/72/65/518387265.db2.gz GUNISHUHLPVQQV-MRXNPFEDSA-N 2 0 265.445 2.079 10 0 CEAERP C([NH2+]C1CC1)C1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180894 518396965 /nfs/dbraw/zinc/39/69/65/518396965.db2.gz JIIJJISMYVGLLH-UHFFFAOYSA-N 2 0 252.402 2.021 10 0 CEAERP C1C[NH2+][C@@H]([C@H]2CCC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590657 518580327 /nfs/dbraw/zinc/58/03/27/518580327.db2.gz KVAOPPYOWDZIGK-BFHYXJOUSA-N 2 0 254.443 2.346 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624886 518714033 /nfs/dbraw/zinc/71/40/33/518714033.db2.gz DQKTXVHFEBLQNA-KRWDZBQOSA-N 2 0 289.467 2.363 10 0 CEAERP CC(C)CC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050947736 519653482 /nfs/dbraw/zinc/65/34/82/519653482.db2.gz CEXWCVZNUGTTNI-INIZCTEOSA-N 2 0 295.471 2.099 10 0 CEAERP CC(C)CN(CC[NH+](C)C)Cc1[nH+]c(NN)ccc1Cl ZINC000061631207 519716635 /nfs/dbraw/zinc/71/66/35/519716635.db2.gz PWXMELSPTFSRIW-UHFFFAOYSA-N 2 0 299.850 2.040 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382054 519724043 /nfs/dbraw/zinc/72/40/43/519724043.db2.gz CQTXKDXMSPDKSO-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)on1 ZINC000052453309 519726095 /nfs/dbraw/zinc/72/60/95/519726095.db2.gz ZDKSLHQDDDJZHN-GFCCVEGCSA-N 2 0 269.414 2.110 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000055076105 519726274 /nfs/dbraw/zinc/72/62/74/519726274.db2.gz MYLRSZHHZJSVND-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000055078041 519727801 /nfs/dbraw/zinc/72/78/01/519727801.db2.gz RIQFCSWFXOTMAD-SJLPKXTDSA-N 2 0 289.467 2.391 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055079106 519728581 /nfs/dbraw/zinc/72/85/81/519728581.db2.gz DPHPCODUNLNUMY-HOTGVXAUSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)C[NH+]1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788998 519728597 /nfs/dbraw/zinc/72/85/97/519728597.db2.gz ZKDRSVUMLIDZCE-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP CC(C)C[NH+]1CCN(c2ncc(C[NH2+]C(C)C)s2)CC1 ZINC000055076343 519728933 /nfs/dbraw/zinc/72/89/33/519728933.db2.gz SWZPWZMFHRQLHL-UHFFFAOYSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CCC[C@H]1C[NH+](C)C ZINC000061653543 519742770 /nfs/dbraw/zinc/74/27/70/519742770.db2.gz PYADRYBINGKTHX-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N1CC[NH+](C2CC2)CC1 ZINC000051520868 519748189 /nfs/dbraw/zinc/74/81/89/519748189.db2.gz XJKORDUDXVNNIE-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CCC[NH+]1CCN([C@@H](CC)C[NH2+]C(C)(C)C)CC1 ZINC000052421779 519859405 /nfs/dbraw/zinc/85/94/05/519859405.db2.gz SMCJJNYMTDKRDA-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022552 519859524 /nfs/dbraw/zinc/85/95/24/519859524.db2.gz ZQCBDBZRVPFBRT-OAHLLOKOSA-N 2 0 274.412 2.081 10 0 CEAERP CCC[NH2+]CCCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654650 519911867 /nfs/dbraw/zinc/91/18/67/519911867.db2.gz BHBDQGWRRLYXLS-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000052181011 519913462 /nfs/dbraw/zinc/91/34/62/519913462.db2.gz PNBBDLUEMXBHMQ-UHFFFAOYSA-N 2 0 288.435 2.451 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](CCOC)CC(C)C)on1 ZINC000052508559 519945710 /nfs/dbraw/zinc/94/57/10/519945710.db2.gz HSRHKZYYISHQRK-UHFFFAOYSA-N 2 0 283.416 2.279 10 0 CEAERP CCC[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)c(C)o1 ZINC000052424396 519945890 /nfs/dbraw/zinc/94/58/90/519945890.db2.gz BWIGNUPCYKLMHA-UHFFFAOYSA-N 2 0 279.428 2.225 10 0 CEAERP CCC[NH2+]Cc1cc(CN2CC[C@@H]([NH+](C)C)C2)oc1C ZINC000062971596 519945984 /nfs/dbraw/zinc/94/59/84/519945984.db2.gz VJSUTVBKHOZBSD-OAHLLOKOSA-N 2 0 279.428 2.224 10 0 CEAERP CCC[NH2+]Cc1ccc(OCC[N@H+](C)CCOC)cc1 ZINC000052572859 519952467 /nfs/dbraw/zinc/95/24/67/519952467.db2.gz PMVBTPBMTQRUOR-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@H](C)COC)c1 ZINC000052511760 519966145 /nfs/dbraw/zinc/96/61/45/519966145.db2.gz VAIPGRNCIMQICY-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1ccccc1OCCOCCC[NH+](C)C ZINC000052672450 520010888 /nfs/dbraw/zinc/01/08/88/520010888.db2.gz SUQRKEDWHHKCTH-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]Cc1occc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673279 520029352 /nfs/dbraw/zinc/02/93/52/520029352.db2.gz JRSCXZNMURDGBE-AWEZNQCLSA-N 2 0 266.385 2.390 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061268960 520067453 /nfs/dbraw/zinc/06/74/53/520067453.db2.gz WTFHPMZIGDPTBK-KGLIPLIRSA-N 2 0 271.449 2.001 10 0 CEAERP CCC[NH2+][C@H](CC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065060 520067852 /nfs/dbraw/zinc/06/78/52/520067852.db2.gz ATKIASZSESJOOI-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081857 520118449 /nfs/dbraw/zinc/11/84/49/520118449.db2.gz GNTBBKYIAGSTPL-HZPDHXFCSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@H](C)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055078747 520172730 /nfs/dbraw/zinc/17/27/30/520172730.db2.gz JVSNFUSXQRAIOE-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H]1CCCc2nc(N3CC[C@H]([NH+](C)C)C3)sc21 ZINC000062975106 520216335 /nfs/dbraw/zinc/21/63/35/520216335.db2.gz QOZUUNFMNCPVQU-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062740959 520308887 /nfs/dbraw/zinc/30/88/87/520308887.db2.gz CQEGHMIFFXKQON-RRFJBIMHSA-N 2 0 254.418 2.252 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH2+]CC)CC1 ZINC000061266044 520397987 /nfs/dbraw/zinc/39/79/87/520397987.db2.gz RYLKDFODONEJMB-HNNXBMFYSA-N 2 0 297.487 2.203 10 0 CEAERP CC[NH+](CC)CCOC[C@@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052672039 520693189 /nfs/dbraw/zinc/69/31/89/520693189.db2.gz TYOKBPYEYZJMQC-CVEARBPZSA-N 2 0 286.460 2.138 10 0 CEAERP CC[NH+](CC)CCOCc1cc(C[NH2+]C(C)C)no1 ZINC000052671834 520694618 /nfs/dbraw/zinc/69/46/18/520694618.db2.gz CQHHYEDQOMXOHT-UHFFFAOYSA-N 2 0 269.389 2.031 10 0 CEAERP CC[NH+](CC)C[C@@H](C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206269 520719521 /nfs/dbraw/zinc/71/95/21/520719521.db2.gz YOKBOLQQXFNSOU-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC2(C[NH3+])CCCCC2)C1 ZINC000062970267 520846012 /nfs/dbraw/zinc/84/60/12/520846012.db2.gz NOMHMUBZUVEIIW-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[C@@]1(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CCC[NH2+]C1 ZINC000062854557 520942693 /nfs/dbraw/zinc/94/26/93/520942693.db2.gz BRXCSDDYKRTCQK-NVXWUHKLSA-N 2 0 297.487 2.249 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054261 521060220 /nfs/dbraw/zinc/06/02/20/521060220.db2.gz JNUJEISKFXIZJO-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)CC(C)C ZINC000052449739 521184754 /nfs/dbraw/zinc/18/47/54/521184754.db2.gz KPNHYTDHZRAGRA-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655138 521352813 /nfs/dbraw/zinc/35/28/13/521352813.db2.gz BDMSAPWBHKXCBK-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CCC(CC)(C[NH2+]CC(C)C)C[N@@H+]1CC[C@@H](O)C1 ZINC000061711754 521439869 /nfs/dbraw/zinc/43/98/69/521439869.db2.gz YFBYLZJTXNIAHM-CQSZACIVSA-N 2 0 256.434 2.105 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543979 521560324 /nfs/dbraw/zinc/56/03/24/521560324.db2.gz PWMOGQVMLPXMKT-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052544071 521567249 /nfs/dbraw/zinc/56/72/49/521567249.db2.gz PHSAAYJITKYAAW-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000049150126 521584278 /nfs/dbraw/zinc/58/42/78/521584278.db2.gz MAIUVULSZHBMSM-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCC[NH+]2CCCCC2)C1 ZINC000049574775 521626231 /nfs/dbraw/zinc/62/62/31/521626231.db2.gz AWQODOAGEKOPEV-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP CCOC1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050952994 521655904 /nfs/dbraw/zinc/65/59/04/521655904.db2.gz LUYDSRCOZKMSMN-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc2c(cc1C[NH3+])CCCC2 ZINC000045661404 521658552 /nfs/dbraw/zinc/65/85/52/521658552.db2.gz RXHSIJHCQWVCHP-UHFFFAOYSA-N 2 0 290.455 2.197 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052422561 521692537 /nfs/dbraw/zinc/69/25/37/521692537.db2.gz XZRPOBBFALPGDF-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP C[NH+](C)CCOCc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052669400 521795109 /nfs/dbraw/zinc/79/51/09/521795109.db2.gz BNUIZXVLFCIGRU-UHFFFAOYSA-N 2 0 271.430 2.109 10 0 CEAERP CN(C)C[C@H]1CCC[N@@H+]1CCCC[NH2+]C(C)(C)C ZINC000061654687 521865292 /nfs/dbraw/zinc/86/52/92/521865292.db2.gz VLMZGAGOJDQUKK-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)C2CCCCC2)CCOCC1 ZINC000052181035 521966466 /nfs/dbraw/zinc/96/64/66/521966466.db2.gz ORRCMYJFAVMHQF-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH2+]C[C@@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417072 522025235 /nfs/dbraw/zinc/02/52/35/522025235.db2.gz ITGSHIPYCCMDDR-KRWDZBQOSA-N 2 0 275.440 2.048 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541463 522058032 /nfs/dbraw/zinc/05/80/32/522058032.db2.gz LQSSPBVMBLLQOG-KBPBESRZSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1cc(C[N@@H+]2CCCSCC2)oc1C ZINC000052371034 522107909 /nfs/dbraw/zinc/10/79/09/522107909.db2.gz JFWXDNIAXPXXJB-UHFFFAOYSA-N 2 0 254.399 2.246 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055072407 522121704 /nfs/dbraw/zinc/12/17/04/522121704.db2.gz IFLQDAKJZHDISP-WBVHZDCISA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067189 522134851 /nfs/dbraw/zinc/13/48/51/522134851.db2.gz YZRZLSFAFGAATH-CYBMUJFWSA-N 2 0 274.412 2.200 10 0 CEAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)CC(C)C ZINC000052508491 522140656 /nfs/dbraw/zinc/14/06/56/522140656.db2.gz XQGKVIVOMYOWQY-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062965048 522481127 /nfs/dbraw/zinc/48/11/27/522481127.db2.gz GHQQATNNGUNEQH-PVAVHDDUSA-N 2 0 275.440 2.280 10 0 CEAERP CC[C@@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573467 522545662 /nfs/dbraw/zinc/54/56/62/522545662.db2.gz SJOYYSDLBSLBRU-HNNXBMFYSA-N 2 0 265.445 2.077 10 0 CEAERP COCCC[N@H+](C)Cc1cc(C[NH2+]C2CC2)c(C)o1 ZINC000062036034 523229952 /nfs/dbraw/zinc/22/99/52/523229952.db2.gz CRMGEVZBAAVRMM-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP CC[C@](C)(C[NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000051211398 523460389 /nfs/dbraw/zinc/46/03/89/523460389.db2.gz HLLSIPIVMAEJRJ-QGZVFWFLSA-N 2 0 275.440 2.492 10 0 CEAERP COCC[N@H+](CCCC[NH2+]C(C)(C)C)[C@H](C)COC ZINC000052572259 523693496 /nfs/dbraw/zinc/69/34/96/523693496.db2.gz ZPVLCSNUUOJFEO-CQSZACIVSA-N 2 0 274.449 2.138 10 0 CEAERP COCC[N@H+](CCC[C@@H]1CCC[NH2+]1)[C@@H](C)C1CC1 ZINC000052764534 523695213 /nfs/dbraw/zinc/69/52/13/523695213.db2.gz MTKMLPDGBWCUBK-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH+]1CCC(Oc2ccnc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000051522112 523782516 /nfs/dbraw/zinc/78/25/16/523782516.db2.gz ALEDVOJOLMMUGX-UHFFFAOYSA-N 2 0 277.412 2.443 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083448 523953405 /nfs/dbraw/zinc/95/34/05/523953405.db2.gz XOYRHOMWNZZQSV-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083468 523954075 /nfs/dbraw/zinc/95/40/75/523954075.db2.gz TXOHDUHOHARMAB-QAETUUGQSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083435 523955922 /nfs/dbraw/zinc/95/59/22/523955922.db2.gz BXAYSRFOZCFKGA-MAUKXSAKSA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074121 523957984 /nfs/dbraw/zinc/95/79/84/523957984.db2.gz BFKQCUJEGPXBNM-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074474 523958457 /nfs/dbraw/zinc/95/84/57/523958457.db2.gz AQJKLJUBYVRJJV-HOCLYGCPSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064175 523959754 /nfs/dbraw/zinc/95/97/54/523959754.db2.gz ABWNVHQQXNHJNM-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH2+]C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062974630 524003487 /nfs/dbraw/zinc/00/34/87/524003487.db2.gz LIRNNUYPZTWUSE-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCCCC[NH2+]C2CC2)CC1 ZINC000052515416 524049736 /nfs/dbraw/zinc/04/97/36/524049736.db2.gz BPPVRWMWXMRLNP-UHFFFAOYSA-N 3 0 267.461 2.182 10 0 CEAERP C[NH+](C)CCCNCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000053428787 524056744 /nfs/dbraw/zinc/05/67/44/524056744.db2.gz VOPZHJQNTSKWOT-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP COc1cccc([C@@H](CNc2[nH+]ccn2C)[NH+](C)C)c1 ZINC000050605628 524097473 /nfs/dbraw/zinc/09/74/73/524097473.db2.gz JLYYUHZDFLAZKF-CQSZACIVSA-N 2 0 274.368 2.144 10 0 CEAERP Cc1ccc(C)c(C[N@@H+]2CCCN(CCC[NH3+])CC2)c1 ZINC000049256659 524100615 /nfs/dbraw/zinc/10/06/15/524100615.db2.gz ASLJGUKTJAUOSX-UHFFFAOYSA-N 2 0 275.440 2.160 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183500 524130740 /nfs/dbraw/zinc/13/07/40/524130740.db2.gz HZMNEFLKSCZROB-KGLIPLIRSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@H]1CCC[C@H]([NH2+]CCN2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061655197 524207786 /nfs/dbraw/zinc/20/77/86/524207786.db2.gz ZXKDMKYONVGOPO-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(C2CC2)CC1 ZINC000052371368 524457043 /nfs/dbraw/zinc/45/70/43/524457043.db2.gz MCMZAMLWVZWQSG-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571669 524459275 /nfs/dbraw/zinc/45/92/75/524459275.db2.gz SMUHCJFLPHMJDK-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(C)n1C ZINC000052790415 524757585 /nfs/dbraw/zinc/75/75/85/524757585.db2.gz PCWSSZWJGAFPKB-HNNXBMFYSA-N 2 0 263.429 2.462 10 0 CEAERP C[C@H]([NH3+])c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054896358 524867912 /nfs/dbraw/zinc/86/79/12/524867912.db2.gz ZWBZKXRJGPGOAU-NSHDSACASA-N 2 0 280.441 2.227 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978424 526105615 /nfs/dbraw/zinc/10/56/15/526105615.db2.gz WGBZWHKMFHWFGJ-NJAFHUGGSA-N 2 0 287.451 2.288 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180701 526244948 /nfs/dbraw/zinc/24/49/48/526244948.db2.gz AUGKCSHAXLVDBX-AWEZNQCLSA-N 2 0 266.429 2.410 10 0 CEAERP c1ccc(N2CC[NH+](CCC[C@@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952373 526481434 /nfs/dbraw/zinc/48/14/34/526481434.db2.gz IGWUNPKXAYJTJA-INIZCTEOSA-N 2 0 288.439 2.126 10 0 CEAERP c1csc(N2CC[NH+](CCC[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000050952345 526584622 /nfs/dbraw/zinc/58/46/22/526584622.db2.gz SOKJJAKUSMOFFD-AWEZNQCLSA-N 2 0 294.468 2.187 10 0 CEAERP Cc1oc(C[NH2+]C2CC2)cc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654536 526774422 /nfs/dbraw/zinc/77/44/22/526774422.db2.gz RTSAWAKUOQWUJE-INIZCTEOSA-N 2 0 291.439 2.366 10 0 CEAERP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000061655593 526965505 /nfs/dbraw/zinc/96/55/05/526965505.db2.gz PBTXLKPJDOGFQK-CYBMUJFWSA-N 2 0 294.468 2.234 10 0 CEAERP [NH3+]C[C@@H]1CC[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000052443906 527219862 /nfs/dbraw/zinc/21/98/62/527219862.db2.gz OSTLHPKKGUYCSM-ZWKOTPCHSA-N 2 0 288.435 2.447 10 0 CEAERP [NH3+]Cc1ccc(F)cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000069401659 527254693 /nfs/dbraw/zinc/25/46/93/527254693.db2.gz ZCGQTLFUBXTVHB-QGZVFWFLSA-N 2 0 291.414 2.345 10 0 CEAERP [NH3+]Cc1ccnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702136 527261821 /nfs/dbraw/zinc/26/18/21/527261821.db2.gz VBKLMPPGRAPACZ-INIZCTEOSA-N 2 0 283.375 2.194 10 0 CEAERP CCC(O)(CC)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000165453660 528966207 /nfs/dbraw/zinc/96/62/07/528966207.db2.gz LIKXGNAEJBKUDW-UHFFFAOYSA-N 2 0 268.445 2.345 10 0 CEAERP C[C@H](O)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309822833 627905941 /nfs/dbraw/zinc/90/59/41/627905941.db2.gz AMPWUNSJLMZQHD-VGAPYMQISA-N 2 0 288.435 2.256 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652275 628360507 /nfs/dbraw/zinc/36/05/07/628360507.db2.gz FXGZAMIRLUZIPB-IAOVAPTHSA-N 2 0 267.376 2.404 10 0 CEAERP C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261564032 628939107 /nfs/dbraw/zinc/93/91/07/628939107.db2.gz CEUMRPKTQCSROY-HIFRSBDPSA-N 2 0 262.397 2.255 10 0 CEAERP C[C@H](CSC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151292786 639255028 /nfs/dbraw/zinc/25/50/28/639255028.db2.gz HMRABIBORWYMTE-KGLIPLIRSA-N 2 0 288.501 2.343 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000234776488 293095089 /nfs/dbraw/zinc/09/50/89/293095089.db2.gz DKLYTRUHWMQPQS-MCIGGMRASA-N 2 0 282.350 2.451 10 0 CEAERP C[N@H+]([C@@H]1C[C@@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264545 539212889 /nfs/dbraw/zinc/21/28/89/539212889.db2.gz URQOCWJRGDULTF-ZIAGYGMSSA-N 2 0 252.402 2.147 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947853 365769923 /nfs/dbraw/zinc/76/99/23/365769923.db2.gz SCRXJASFXNLERZ-ARFHVFGLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)CC(C)C ZINC000262270378 344654312 /nfs/dbraw/zinc/65/43/12/344654312.db2.gz IGRKKJZVBXWIOV-PMPSAXMXSA-N 2 0 297.487 2.377 10 0 CEAERP COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659153 344735343 /nfs/dbraw/zinc/73/53/43/344735343.db2.gz NOPHYFBESMBDDB-VZJVUDMVSA-N 2 0 264.344 2.003 10 0 CEAERP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000306869785 344718202 /nfs/dbraw/zinc/71/82/02/344718202.db2.gz UDYHGFDYKWCZQH-VIFPVBQESA-N 2 0 263.566 2.451 10 0 CEAERP [NH3+]CC[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000306890889 344718262 /nfs/dbraw/zinc/71/82/62/344718262.db2.gz WCFACDTWDDRPKJ-SECBINFHSA-N 2 0 263.566 2.451 10 0 CEAERP C[C@@H]1CC[C@@H]([NH3+])[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000058057906 362606340 /nfs/dbraw/zinc/60/63/40/362606340.db2.gz RWGGHNZHOXOURZ-KBAYOESNSA-N 2 0 287.451 2.320 10 0 CEAERP C([C@@H]1CCOC1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610592 179101016 /nfs/dbraw/zinc/10/10/16/179101016.db2.gz SZOIZTXTTPCGFX-AWEZNQCLSA-N 2 0 252.402 2.021 10 0 CEAERP CC(C)[C@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085608431 179101916 /nfs/dbraw/zinc/10/19/16/179101916.db2.gz ULBRYAHZIQYDKS-GFCCVEGCSA-N 2 0 282.350 2.275 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085621002 179105191 /nfs/dbraw/zinc/10/51/91/179105191.db2.gz UVKLIGOQNKZWPG-ZIAGYGMSSA-N 2 0 252.402 2.162 10 0 CEAERP COCCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620801 179105397 /nfs/dbraw/zinc/10/53/97/179105397.db2.gz NASAVQJDTVRVKR-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP COCCOCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085621077 179106168 /nfs/dbraw/zinc/10/61/68/179106168.db2.gz YBOMFIRHFHUUBL-OAHLLOKOSA-N 2 0 284.444 2.036 10 0 CEAERP CC[C@@](C[NH3+])(C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000086120196 179235020 /nfs/dbraw/zinc/23/50/20/179235020.db2.gz KPQAYHHBKRTUIT-QGZVFWFLSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H](C)[C@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146728 179239909 /nfs/dbraw/zinc/23/99/09/179239909.db2.gz SCSPVQFDTUHOGS-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182522 179247394 /nfs/dbraw/zinc/24/73/94/179247394.db2.gz BHPNCCUMZRGGKG-JKSUJKDBSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H]1CN[C@@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174320 179245798 /nfs/dbraw/zinc/24/57/98/179245798.db2.gz DHLDPFQEXONBIR-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217787 179249278 /nfs/dbraw/zinc/24/92/78/179249278.db2.gz UPWHDWVSAKXAKM-PBHICJAKSA-N 2 0 273.424 2.116 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217810 179249691 /nfs/dbraw/zinc/24/96/91/179249691.db2.gz FIRBVJXROBTDMH-DZGCQCFKSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223063 179250713 /nfs/dbraw/zinc/25/07/13/179250713.db2.gz NFJAGYOXHOXUAL-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225427 179253032 /nfs/dbraw/zinc/25/30/32/179253032.db2.gz OLQHGCGNAQBOII-LSDHHAIUSA-N 2 0 265.445 2.077 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225426 179253700 /nfs/dbraw/zinc/25/37/00/179253700.db2.gz OLQHGCGNAQBOII-GJZGRUSLSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223933 179253763 /nfs/dbraw/zinc/25/37/63/179253763.db2.gz KZPNNPRXHGHIEK-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227528 179254718 /nfs/dbraw/zinc/25/47/18/179254718.db2.gz FNQOMLCQGUKKOC-NUEKZKHPSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259300 179257972 /nfs/dbraw/zinc/25/79/72/179257972.db2.gz CZUCADLXLOOXHZ-YESZJQIVSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259603 179258083 /nfs/dbraw/zinc/25/80/83/179258083.db2.gz AFYUEYGOKHSYPI-BMFZPTHFSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259220 179258321 /nfs/dbraw/zinc/25/83/21/179258321.db2.gz MYPFLPHGAWYLNW-OWCLPIDISA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259203 179258629 /nfs/dbraw/zinc/25/86/29/179258629.db2.gz YMFFJVNNIPVYDS-OIISXLGYSA-N 2 0 279.472 2.181 10 0 CEAERP CCC[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259672 179259075 /nfs/dbraw/zinc/25/90/75/179259075.db2.gz SSNWKCDGMDBQNV-UAGQMJEPSA-N 2 0 279.472 2.322 10 0 CEAERP Fc1ccc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)cc1 ZINC000086285662 179263326 /nfs/dbraw/zinc/26/33/26/179263326.db2.gz VFJVQUJCXQQTGY-INIZCTEOSA-N 2 0 262.372 2.442 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086289414 179264184 /nfs/dbraw/zinc/26/41/84/179264184.db2.gz JZKGDSOYSJTQFV-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287089 179264379 /nfs/dbraw/zinc/26/43/79/179264379.db2.gz YFWWJWLWBDMBJF-KKUMJFAQSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259019 179256555 /nfs/dbraw/zinc/25/65/55/179256555.db2.gz IYEQVBQQYLOIAR-DLBZAZTESA-N 2 0 279.472 2.037 10 0 CEAERP CC(C)C[C@@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086259067 179257291 /nfs/dbraw/zinc/25/72/91/179257291.db2.gz ZEKUCDVUGLFAGP-GOEBONIOSA-N 2 0 267.461 2.037 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291556 179266318 /nfs/dbraw/zinc/26/63/18/179266318.db2.gz BJUQTRHGIHPMHH-MRXNPFEDSA-N 2 0 279.472 2.326 10 0 CEAERP COCCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086291742 179266784 /nfs/dbraw/zinc/26/67/84/179266784.db2.gz UTXXFUNTWXJOHP-KRWDZBQOSA-N 2 0 276.424 2.320 10 0 CEAERP CCC[C@@H](COC)[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299574 179268933 /nfs/dbraw/zinc/26/89/33/179268933.db2.gz XJANCCZWQRFXND-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N(C)[C@@H]3CCC[N@H+](C)C3)nc21 ZINC000086443087 179293469 /nfs/dbraw/zinc/29/34/69/179293469.db2.gz ZEPFILAZKXIPHG-NEPJUHHUSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N3CC[NH+](C(C)C)CC3)nc21 ZINC000086442772 179294013 /nfs/dbraw/zinc/29/40/13/179294013.db2.gz BJALVFKMDZPDCQ-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1=[NH+]C[C@H](C)CS1 ZINC000086633011 179314962 /nfs/dbraw/zinc/31/49/62/179314962.db2.gz DLBIOTHSNVKTBH-NWDGAFQWSA-N 2 0 257.447 2.291 10 0 CEAERP C[C@H]1CCC[C@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086677176 179319622 /nfs/dbraw/zinc/31/96/22/179319622.db2.gz UQYFLFSAVWRVSZ-DOTOQJQBSA-N 2 0 279.472 2.312 10 0 CEAERP C[NH+](C)CCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000086713624 179322730 /nfs/dbraw/zinc/32/27/30/179322730.db2.gz LEVOHCKQZJKQEE-UHFFFAOYSA-N 2 0 256.434 2.498 10 0 CEAERP C[C@@H](CN[C@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818835 179347975 /nfs/dbraw/zinc/34/79/75/179347975.db2.gz NEKOTMUPEZYDDP-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CCC1(C)CCN([C@@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819593 179348653 /nfs/dbraw/zinc/34/86/53/179348653.db2.gz QUIIKUVEWMENRP-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086833511 179349213 /nfs/dbraw/zinc/34/92/13/179349213.db2.gz JHLUUDIQEWEIIA-OAHLLOKOSA-N 2 0 259.397 2.081 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846922 179356169 /nfs/dbraw/zinc/35/61/69/179356169.db2.gz IUAGEFUZBDVQSP-CABCVRRESA-N 2 0 285.501 2.016 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848215 179356736 /nfs/dbraw/zinc/35/67/36/179356736.db2.gz KARYFSUSINTHAQ-OAHLLOKOSA-N 2 0 296.484 2.168 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847125 179357065 /nfs/dbraw/zinc/35/70/65/179357065.db2.gz RJFGHBCDVSBMJR-KRWDZBQOSA-N 2 0 290.455 2.105 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC[C@H](OCC)C2)CC1 ZINC000086848059 179357322 /nfs/dbraw/zinc/35/73/22/179357322.db2.gz ASJRPOKMUDREDW-IRXDYDNUSA-N 2 0 297.487 2.081 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCC[NH+](CC)CC)CC1 ZINC000086835491 179350339 /nfs/dbraw/zinc/35/03/39/179350339.db2.gz SBUWSRCMFBRLNO-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836984 179351683 /nfs/dbraw/zinc/35/16/83/179351683.db2.gz AEXAANOFRNLABO-KKUMJFAQSA-N 2 0 254.418 2.406 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840471 179353493 /nfs/dbraw/zinc/35/34/93/179353493.db2.gz OZFLDHDCMMMJCJ-LSDHHAIUSA-N 2 0 264.417 2.124 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846444 179355182 /nfs/dbraw/zinc/35/51/82/179355182.db2.gz LLRIEALQGBKQCV-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CC1(C)CCC[C@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913261 179367032 /nfs/dbraw/zinc/36/70/32/179367032.db2.gz QWVFTYWJIZSSTO-HNNXBMFYSA-N 2 0 254.418 2.397 10 0 CEAERP CC(C)[C@@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086948968 179368463 /nfs/dbraw/zinc/36/84/63/179368463.db2.gz CMCSRRUWEWISIO-HZPDHXFCSA-N 2 0 269.477 2.414 10 0 CEAERP COc1c(C)c[nH+]c(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)c1C ZINC000087172678 179399318 /nfs/dbraw/zinc/39/93/18/179399318.db2.gz UTCTYFPXZJPZRU-CJNGLKHVSA-N 2 0 278.396 2.000 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000088277960 179574494 /nfs/dbraw/zinc/57/44/94/179574494.db2.gz JSTKTDYRJQBYGM-ZDUSSCGKSA-N 2 0 297.487 2.423 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088277460 179574357 /nfs/dbraw/zinc/57/43/57/179574357.db2.gz UALGSGBFIVYVHN-CVEARBPZSA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753360 233180897 /nfs/dbraw/zinc/18/08/97/233180897.db2.gz WGVJDUNCFSRJLO-CGTJXYLNSA-N 2 0 287.451 2.239 10 0 CEAERP CC[NH+](CC)CCn1cncc1C[NH2+]C(C)(C)C ZINC000090240622 179938168 /nfs/dbraw/zinc/93/81/68/179938168.db2.gz NSRZOQXAYFRIRJ-UHFFFAOYSA-N 2 0 252.406 2.113 10 0 CEAERP CCCC[N@H+](C[C@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566429 180005395 /nfs/dbraw/zinc/00/53/95/180005395.db2.gz WBXLSOAEWYEGLK-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](CC(C)C)C(C)C ZINC000090566553 180006788 /nfs/dbraw/zinc/00/67/88/180006788.db2.gz DVTZMSGUCOIBGH-GJZGRUSLSA-N 2 0 256.434 2.367 10 0 CEAERP C(C[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694363 180025786 /nfs/dbraw/zinc/02/57/86/180025786.db2.gz AOQGULRRAAPJAQ-HZPDHXFCSA-N 2 0 266.429 2.410 10 0 CEAERP FC(F)(F)COCC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694587 180026395 /nfs/dbraw/zinc/02/63/95/180026395.db2.gz PPOOGNOSTVSLFG-LBPRGKRZSA-N 2 0 280.334 2.029 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892502 180053508 /nfs/dbraw/zinc/05/35/08/180053508.db2.gz FMXZVSIQAVNOIJ-RISCZKNCSA-N 2 0 266.360 2.059 10 0 CEAERP C[C@H]1CCC[C@H](C)[NH+]1Cc1csc(CC[NH3+])n1 ZINC000090957984 180074857 /nfs/dbraw/zinc/07/48/57/180074857.db2.gz DEUKIXACMPJQTJ-QWRGUYRKSA-N 2 0 253.415 2.407 10 0 CEAERP CC(=O)Nc1ccsc1C[NH2+]CCCC[NH+](C)C ZINC000090960544 180075329 /nfs/dbraw/zinc/07/53/29/180075329.db2.gz FQISHHLXWFBIRC-UHFFFAOYSA-N 2 0 269.414 2.138 10 0 CEAERP CC(C)[N@@H+]1CCO[C@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004115 180084005 /nfs/dbraw/zinc/08/40/05/180084005.db2.gz TWFRVFWKHBQQGR-MRXNPFEDSA-N 2 0 293.455 2.485 10 0 CEAERP CCCn1cccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000091023141 180088993 /nfs/dbraw/zinc/08/89/93/180088993.db2.gz BBWNMLSSXJKXAY-UHFFFAOYSA-N 2 0 292.471 2.014 10 0 CEAERP CC(C)[C@H]1CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314290 180133735 /nfs/dbraw/zinc/13/37/35/180133735.db2.gz MKHAYGXJIZIFHW-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N1CCC(C(C)(C)C)CC1 ZINC000091322869 180134298 /nfs/dbraw/zinc/13/42/98/180134298.db2.gz FKUDYLVZTGNDEW-OAHLLOKOSA-N 2 0 297.487 2.330 10 0 CEAERP CC(C)(C)C1CCN([C@@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323503 180134756 /nfs/dbraw/zinc/13/47/56/180134756.db2.gz RMZCVJCUCJBPHV-OAHLLOKOSA-N 2 0 295.471 2.084 10 0 CEAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358781 180140624 /nfs/dbraw/zinc/14/06/24/180140624.db2.gz GZJWIYREXXMKMB-KKUMJFAQSA-N 2 0 295.471 2.001 10 0 CEAERP C[NH2+]C[C@]1(CN2CCC[C@H]([NH+](C)C)C2)CCC[C@@H](C)C1 ZINC000091427850 180152784 /nfs/dbraw/zinc/15/27/84/180152784.db2.gz MAJIHNRJOIWHGN-IKGGRYGDSA-N 2 0 281.488 2.428 10 0 CEAERP C[NH2+][C@H](CCN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091428994 180152789 /nfs/dbraw/zinc/15/27/89/180152789.db2.gz GNABEROYLWAEGM-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](CCN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091428996 180153219 /nfs/dbraw/zinc/15/32/19/180153219.db2.gz GNABEROYLWAEGM-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091433162 180153413 /nfs/dbraw/zinc/15/34/13/180153413.db2.gz HXVWDSLXDVZODK-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091432948 180153628 /nfs/dbraw/zinc/15/36/28/180153628.db2.gz GSCIKABSFLEOMM-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490576 180170076 /nfs/dbraw/zinc/17/00/76/180170076.db2.gz KTDKLRVGNSNMMB-JYVUQVBGSA-N 2 0 268.445 2.103 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CC[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091499029 180174144 /nfs/dbraw/zinc/17/41/44/180174144.db2.gz ZPOQSUAERJLEGO-BCLQGDPASA-N 2 0 262.397 2.088 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391678 180144781 /nfs/dbraw/zinc/14/47/81/180144781.db2.gz WDDQJNWOLSLXPW-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091394151 180145333 /nfs/dbraw/zinc/14/53/33/180145333.db2.gz LGLPJKZEZOCPNY-IRXDYDNUSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000091393033 180145811 /nfs/dbraw/zinc/14/58/11/180145811.db2.gz OOFBCDNMMRTNKS-IPYPFGDCSA-N 2 0 265.401 2.002 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000091404676 180147045 /nfs/dbraw/zinc/14/70/45/180147045.db2.gz DQZHLLYHTNONDP-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000091404507 180147190 /nfs/dbraw/zinc/14/71/90/180147190.db2.gz IQHGOACCDBNUBP-AWEZNQCLSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000091404687 180147276 /nfs/dbraw/zinc/14/72/76/180147276.db2.gz JZKWKQJNDLRQOO-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000091405059 180147353 /nfs/dbraw/zinc/14/73/53/180147353.db2.gz MKDRXVPXALCJQN-AWEZNQCLSA-N 3 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000091404692 180147397 /nfs/dbraw/zinc/14/73/97/180147397.db2.gz BUSQSUIKJSPSEG-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091427818 180152363 /nfs/dbraw/zinc/15/23/63/180152363.db2.gz UKQOFNYVKCRGTN-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+][C@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640841 180213290 /nfs/dbraw/zinc/21/32/90/180213290.db2.gz STWVDPKVWGBOBO-OAHLLOKOSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH+](C)C1(C(=O)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091653631 180217147 /nfs/dbraw/zinc/21/71/47/180217147.db2.gz ORGOCOHLNNVHDR-UHFFFAOYSA-N 2 0 275.396 2.430 10 0 CEAERP C[NH2+][C@H]([C@H]1CCOC1)C1([NH+](C)C)CCCCCC1 ZINC000091654400 180217225 /nfs/dbraw/zinc/21/72/25/180217225.db2.gz AKMYEFSVQUHBLD-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@H](Cc1ccn(C(C)C)n1)[NH2+]C ZINC000091716269 180232015 /nfs/dbraw/zinc/23/20/15/180232015.db2.gz QCVNYYNVKQCXNY-CQSZACIVSA-N 2 0 266.433 2.326 10 0 CEAERP [NH3+][C@H](c1cccc2cnccc21)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720688 180234898 /nfs/dbraw/zinc/23/48/98/180234898.db2.gz RMHSRVXCZRPDHM-KBRIMQKVSA-N 2 0 283.375 2.098 10 0 CEAERP [NH3+][C@H](Cc1ccccc1Cl)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720640 180235212 /nfs/dbraw/zinc/23/52/12/180235212.db2.gz HLVNLKODHUAOMH-BPLDGKMQSA-N 2 0 280.799 2.073 10 0 CEAERP [NH3+][C@@H]1CCCc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722451 180239882 /nfs/dbraw/zinc/23/98/82/180239882.db2.gz WLGYZKBEYYDTNR-CKYFFXLPSA-N 2 0 279.409 2.015 10 0 CEAERP CCC[N@H+](Cc1cc(C)no1)C1CCC([NH3+])CC1 ZINC000091852348 180272846 /nfs/dbraw/zinc/27/28/46/180272846.db2.gz PBWFWQVTMKNPCJ-UHFFFAOYSA-N 2 0 251.374 2.465 10 0 CEAERP CC[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091850906 180271794 /nfs/dbraw/zinc/27/17/94/180271794.db2.gz SNCCLQLMEKSOPL-HSBZDZAISA-N 2 0 283.460 2.272 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCC[C@H](OC)C2)CC1 ZINC000091870542 180277038 /nfs/dbraw/zinc/27/70/38/180277038.db2.gz DXSYUXNNDPWIMD-CVSAEHQPSA-N 2 0 254.418 2.406 10 0 CEAERP CCCCNC(=O)[C@H](C)[N@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870349 180277251 /nfs/dbraw/zinc/27/72/51/180277251.db2.gz BKUWPWHMRPWAOJ-NFOMZHRRSA-N 2 0 283.460 2.144 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCC(=O)NC2CCCCC2)CC1 ZINC000091872695 180277994 /nfs/dbraw/zinc/27/79/94/180277994.db2.gz FZIQJEJLCYFUGM-UHFFFAOYSA-N 2 0 295.471 2.288 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000091873076 180278273 /nfs/dbraw/zinc/27/82/73/180278273.db2.gz WNXUTSMGUSBFKJ-UHFFFAOYSA-N 2 0 289.423 2.112 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091906422 180284375 /nfs/dbraw/zinc/28/43/75/180284375.db2.gz HVPIYFKGWLSNEH-HUUCEWRRSA-N 2 0 268.445 2.377 10 0 CEAERP C[C@H]1C[N@H+](C[C@]2(C[NH2+]C3CC3)CCCOC2)C[C@H]1C ZINC000092088414 180321473 /nfs/dbraw/zinc/32/14/73/180321473.db2.gz JZDVTFBWRPEQPA-IJEWVQPXSA-N 2 0 266.429 2.123 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000092203849 180343922 /nfs/dbraw/zinc/34/39/22/180343922.db2.gz DBCAJMXXJZDLNH-DZGCQCFKSA-N 2 0 285.391 2.124 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC([NH+](C)C)CC2)c1 ZINC000092418171 180381572 /nfs/dbraw/zinc/38/15/72/180381572.db2.gz UTQYBTYCBFROBP-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2cc(NC)cc[nH+]2)C1 ZINC000092419136 180382249 /nfs/dbraw/zinc/38/22/49/180382249.db2.gz ITDFIELJJVZKLM-OAHLLOKOSA-N 2 0 262.401 2.039 10 0 CEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427842 180382986 /nfs/dbraw/zinc/38/29/86/180382986.db2.gz USBGUUFIGALCNS-KRWDZBQOSA-N 2 0 290.455 2.025 10 0 CEAERP CCC[NH2+][C@@H](CC)Cc1nc(CC[NH+](CC)CC)no1 ZINC000109496187 186256812 /nfs/dbraw/zinc/25/68/12/186256812.db2.gz JZVNOWJHSFEBDO-ZDUSSCGKSA-N 2 0 282.432 2.275 10 0 CEAERP C[C@@H]([NH3+])c1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000109572459 186264095 /nfs/dbraw/zinc/26/40/95/186264095.db2.gz XWEUJCSMXDDYEW-ZIAGYGMSSA-N 2 0 259.397 2.381 10 0 CEAERP CC(C)c1ccc(C[NH+]2CCN([C@@H](C)C[NH3+])CC2)cc1 ZINC000109459312 186253770 /nfs/dbraw/zinc/25/37/70/186253770.db2.gz GGTXANJHUAGYKS-HNNXBMFYSA-N 2 0 275.440 2.275 10 0 CEAERP CCc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C1CC1 ZINC000110275395 186289273 /nfs/dbraw/zinc/28/92/73/186289273.db2.gz FWKPDVYBDMMBLX-GFCCVEGCSA-N 2 0 294.468 2.098 10 0 CEAERP CC[NH2+][C@@H](CC)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110478302 186299613 /nfs/dbraw/zinc/29/96/13/186299613.db2.gz QYRNMAWZGKMQDT-STQMWFEESA-N 2 0 282.432 2.446 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1C[NH+]2CCC1CC2 ZINC000110629274 186307492 /nfs/dbraw/zinc/30/74/92/186307492.db2.gz CMHCRUBJJZUHPK-ZDUSSCGKSA-N 2 0 290.342 2.033 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704891 186314101 /nfs/dbraw/zinc/31/41/01/186314101.db2.gz AAGLLTQWMCKJQV-OAHLLOKOSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110704800 186314353 /nfs/dbraw/zinc/31/43/53/186314353.db2.gz XVDGCGFPXWUZNT-TZMCWYRMSA-N 2 0 265.401 2.002 10 0 CEAERP C[N@@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716298 186315501 /nfs/dbraw/zinc/31/55/01/186315501.db2.gz YCDMOZKYADAVFD-CVEARBPZSA-N 2 0 273.424 2.027 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)C[C@@H]1C ZINC000110709641 186315808 /nfs/dbraw/zinc/31/58/08/186315808.db2.gz NYQJLOIRMUKPRC-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110712186 186316432 /nfs/dbraw/zinc/31/64/32/186316432.db2.gz QOLBPZZCDPMWCX-INIZCTEOSA-N 2 0 291.439 2.111 10 0 CEAERP C[C@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC[N@@H+]1C ZINC000110751129 186319840 /nfs/dbraw/zinc/31/98/40/186319840.db2.gz NCQJPIMUXUHREL-ZDUSSCGKSA-N 2 0 279.428 2.304 10 0 CEAERP C[C@@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751068 186320784 /nfs/dbraw/zinc/32/07/84/186320784.db2.gz BOLPNUCQPKGUOZ-GFCCVEGCSA-N 2 0 273.380 2.027 10 0 CEAERP CC[C@@H]1CN(CC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC000110757511 186320927 /nfs/dbraw/zinc/32/09/27/186320927.db2.gz GIFOHONEDZZHHE-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747001 186321721 /nfs/dbraw/zinc/32/17/21/186321721.db2.gz JBEMBINIQDSQCH-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@]1(CN2CC[N@H+](C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763025 186323287 /nfs/dbraw/zinc/32/32/87/186323287.db2.gz CLWXMBSBLDRPJB-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110770461 186323793 /nfs/dbraw/zinc/32/37/93/186323793.db2.gz PGJFDFHRTWVKSJ-LBPRGKRZSA-N 2 0 290.411 2.264 10 0 CEAERP [NH3+]Cc1cc(F)ccc1OCC[NH+]1CCCCC1 ZINC000111028535 186346218 /nfs/dbraw/zinc/34/62/18/186346218.db2.gz ZFPDHVSUIAOYQF-UHFFFAOYSA-N 2 0 252.333 2.149 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039974 186346897 /nfs/dbraw/zinc/34/68/97/186346897.db2.gz OMMXUDOOJDPPSY-IUODEOHRSA-N 2 0 297.393 2.381 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149704 186361130 /nfs/dbraw/zinc/36/11/30/186361130.db2.gz AWMCTWNBTSNFKT-ZDUSSCGKSA-N 2 0 292.427 2.382 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111133418 186356055 /nfs/dbraw/zinc/35/60/55/186356055.db2.gz PSCRWAWXNSWIPX-ZDUSSCGKSA-N 2 0 269.458 2.194 10 0 CEAERP Cc1cc(C)c([C@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)c1 ZINC000111133890 186356479 /nfs/dbraw/zinc/35/64/79/186356479.db2.gz JFCUJPPQGWJRCX-INIZCTEOSA-N 2 0 277.456 2.495 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111130798 186356493 /nfs/dbraw/zinc/35/64/93/186356493.db2.gz XLSBQJCAIZQCEH-JKSUJKDBSA-N 2 0 281.419 2.488 10 0 CEAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N(C)CC[NH+](C)C ZINC000111135352 186357354 /nfs/dbraw/zinc/35/73/54/186357354.db2.gz STBXVBIPPHDZEL-GJZGRUSLSA-N 2 0 257.466 2.427 10 0 CEAERP C[C@@H]([NH3+])c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138573 186358012 /nfs/dbraw/zinc/35/80/12/186358012.db2.gz JYQIQLGSIPQSJV-LLVKDONJSA-N 2 0 253.365 2.233 10 0 CEAERP CCC[NH2+]CC1(CN(C)CC[NH+](C)C)CCCCC1 ZINC000111146939 186358280 /nfs/dbraw/zinc/35/82/80/186358280.db2.gz OZDNYZPJOZNDEU-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CCC[NH2+]C[C@@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111147331 186358516 /nfs/dbraw/zinc/35/85/16/186358516.db2.gz YTVGGYSCEAXBEQ-SFHVURJKSA-N 2 0 291.483 2.437 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N(C)CCC[NH+](C)C)ccn1 ZINC000111149414 186358557 /nfs/dbraw/zinc/35/85/57/186358557.db2.gz JIWXXUQDAOOXFH-UHFFFAOYSA-N 2 0 278.444 2.215 10 0 CEAERP CC[C@](C)(C[NH2+]CC(C)C)CN(C)CC[NH+](C)C ZINC000111147224 186359659 /nfs/dbraw/zinc/35/96/59/186359659.db2.gz SBATVQWCMNXIEY-OAHLLOKOSA-N 2 0 257.466 2.142 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111328760 186399355 /nfs/dbraw/zinc/39/93/55/186399355.db2.gz XZRQWJYOKRBVQA-HNNXBMFYSA-N 2 0 266.360 2.013 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1CN(C)CCC[NH+](C)C ZINC000111239061 186374867 /nfs/dbraw/zinc/37/48/67/186374867.db2.gz FVLKEHQBTOFWOJ-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)ccc1N(C)CC1CC[NH+](C)CC1 ZINC000111499450 186424894 /nfs/dbraw/zinc/42/48/94/186424894.db2.gz UGJNBLUQOIUQKP-CYBMUJFWSA-N 2 0 293.430 2.493 10 0 CEAERP CC[C@@H]1CCCC[C@@H]1[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000111743854 186452852 /nfs/dbraw/zinc/45/28/52/186452852.db2.gz SDNSZMYBLMOGFG-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630526581 351773433 /nfs/dbraw/zinc/77/34/33/351773433.db2.gz MCVYTYICDSFREY-JQWIXIFHSA-N 2 0 273.302 2.354 10 0 CEAERP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000580289940 366776275 /nfs/dbraw/zinc/77/62/75/366776275.db2.gz NVLAMCCPLILZKJ-HIFRSBDPSA-N 2 0 262.397 2.215 10 0 CEAERP C[C@@H]1CN(Cc2nc3ccccc3s2)C[C@@H]1C[NH3+] ZINC000631838273 367576168 /nfs/dbraw/zinc/57/61/68/367576168.db2.gz LJHIRDQQAOKYMX-MNOVXSKESA-N 2 0 261.394 2.323 10 0 CEAERP C[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000246227735 370931662 /nfs/dbraw/zinc/93/16/62/370931662.db2.gz RWXNHSBGCUMMRV-WMZOPIPTSA-N 2 0 288.435 2.312 10 0 CEAERP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594119 370982149 /nfs/dbraw/zinc/98/21/49/370982149.db2.gz ZOURISGOAMDNJI-BBWFWOEESA-N 3 0 281.488 2.427 10 0 CEAERP COc1ccccc1OCC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231670707 370487616 /nfs/dbraw/zinc/48/76/16/370487616.db2.gz KDQUHZCKHNQIPI-CQSZACIVSA-N 2 0 278.396 2.148 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570535 371338631 /nfs/dbraw/zinc/33/86/31/371338631.db2.gz OEAPCVKAMAFOJO-ARFHVFGLSA-N 2 0 294.464 2.240 10 0 CEAERP c1csc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000262119779 371825105 /nfs/dbraw/zinc/82/51/05/371825105.db2.gz BYQHQUQCNWNZRU-UHFFFAOYSA-N 2 0 265.426 2.322 10 0 CEAERP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(CN)n1 ZINC000262259631 371844522 /nfs/dbraw/zinc/84/45/22/371844522.db2.gz QZMSXQFIVNDWLY-QWRGUYRKSA-N 2 0 266.389 2.223 10 0 CEAERP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818043 372764431 /nfs/dbraw/zinc/76/44/31/372764431.db2.gz CEWVLRWYLLQUJM-HZSPNIEDSA-N 2 0 252.402 2.005 10 0 CEAERP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCO1 ZINC000423021437 376935647 /nfs/dbraw/zinc/93/56/47/376935647.db2.gz FBWUBVFOSSZQTN-MJBXVCDLSA-N 2 0 254.418 2.312 10 0 CEAERP CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000093071315 184646668 /nfs/dbraw/zinc/64/66/68/184646668.db2.gz BMDOHOIYRVNDTI-ZNMIVQPWSA-N 2 0 255.450 2.035 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000080998663 177751943 /nfs/dbraw/zinc/75/19/43/177751943.db2.gz NXGNEOMWZCLRQD-HUUCEWRRSA-N 2 0 283.460 2.001 10 0 CEAERP CC[N@@H+](CC(=O)Nc1cccc(F)c1)CC1CC[NH2+]CC1 ZINC000094025088 184750752 /nfs/dbraw/zinc/75/07/52/184750752.db2.gz IHIRQLWABCWQOH-UHFFFAOYSA-N 2 0 293.386 2.086 10 0 CEAERP CCCC1(C[NH2+]C[C@@]2(C)CCCO2)CC[NH2+]CC1 ZINC000094804527 184869187 /nfs/dbraw/zinc/86/91/87/184869187.db2.gz RKIVUDCPXKPHCF-CQSZACIVSA-N 2 0 254.418 2.315 10 0 CEAERP C[N@H+](CCOCC1CC1)[C@@H](CC[NH3+])c1ccccc1 ZINC000094984090 184909966 /nfs/dbraw/zinc/90/99/66/184909966.db2.gz CBPIAZNUTIASJK-INIZCTEOSA-N 2 0 262.397 2.435 10 0 CEAERP CC[C@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000087535362 135050835 /nfs/dbraw/zinc/05/08/35/135050835.db2.gz OHCHBSDWBCNCGI-MRXNPFEDSA-N 2 0 275.440 2.410 10 0 CEAERP CC[C@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091432414 135070006 /nfs/dbraw/zinc/07/00/06/135070006.db2.gz YKZFGQMRNOZZCM-RDJZCZTQSA-N 2 0 275.440 2.497 10 0 CEAERP C[C@@H]([NH3+])c1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439684 135087997 /nfs/dbraw/zinc/08/79/97/135087997.db2.gz UBQRHBAILNJCCB-ZIAGYGMSSA-N 2 0 259.397 2.381 10 0 CEAERP Cc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2ccccc2[nH+]1 ZINC000301635529 394463563 /nfs/dbraw/zinc/46/35/63/394463563.db2.gz DXRZOIZSIGBWSC-SJORKVTESA-N 2 0 283.375 2.062 10 0 CEAERP C[C@@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000306778923 394518086 /nfs/dbraw/zinc/51/80/86/394518086.db2.gz SMQPPMIXJOBFIE-YFHUEUNASA-N 2 0 287.451 2.332 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130102916 394881373 /nfs/dbraw/zinc/88/13/73/394881373.db2.gz JQAINLFEVROKFP-ZDUSSCGKSA-N 2 0 299.459 2.173 10 0 CEAERP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381047267 395171253 /nfs/dbraw/zinc/17/12/53/395171253.db2.gz FZSJEQROZTYOSV-HNNXBMFYSA-N 2 0 291.439 2.011 10 0 CEAERP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414588 395251830 /nfs/dbraw/zinc/25/18/30/395251830.db2.gz VADMUNJMIUQYEA-MXSMSXNCSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@H]1CCN(c2ccncc2Br)C[C@@H]1C[NH3+] ZINC000167684804 162359637 /nfs/dbraw/zinc/35/96/37/162359637.db2.gz SZPUPLIZUZPEBH-UWVGGRQHSA-N 2 0 284.201 2.265 10 0 CEAERP Cc1nc(C)c(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000261550927 162546501 /nfs/dbraw/zinc/54/65/01/162546501.db2.gz LOVPXYFHVVPDCH-NWDGAFQWSA-N 2 0 253.415 2.367 10 0 CEAERP CC[NH+](CC)CCOc1ccc([C@H](C)[NH3+])cc1OC ZINC000022170244 171367911 /nfs/dbraw/zinc/36/79/11/171367911.db2.gz NFQPVHXVOZEICB-LBPRGKRZSA-N 2 0 266.385 2.436 10 0 CEAERP CCC[NH+](CCC)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037049969 172917146 /nfs/dbraw/zinc/91/71/46/172917146.db2.gz HOQXBLIEMHGWAX-HNNXBMFYSA-N 2 0 250.386 2.301 10 0 CEAERP COc1ccc(CC[C@@](C)(C[NH3+])[NH+]2CCCC2)cc1 ZINC000037497414 173236355 /nfs/dbraw/zinc/23/63/55/173236355.db2.gz JYVQHAMSZSBVFC-INIZCTEOSA-N 2 0 262.397 2.441 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC000038044634 174052854 /nfs/dbraw/zinc/05/28/54/174052854.db2.gz OANGKMILYDGUHB-ZIAGYGMSSA-N 2 0 254.418 2.123 10 0 CEAERP CCOC1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000040678505 174374853 /nfs/dbraw/zinc/37/48/53/174374853.db2.gz PBGPIEAJBFVPHK-NFAWXSAZSA-N 2 0 254.418 2.251 10 0 CEAERP CC[C@H](C)[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693717 174377871 /nfs/dbraw/zinc/37/78/71/174377871.db2.gz LXLZSFPARDRJRS-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CCCC[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694472 174378239 /nfs/dbraw/zinc/37/82/39/174378239.db2.gz SYKBSSARPISNKX-OAHLLOKOSA-N 2 0 267.461 2.454 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000309743092 414855502 /nfs/dbraw/zinc/85/55/02/414855502.db2.gz SPWOPCYVMWSNLU-QGZVFWFLSA-N 3 0 287.451 2.240 10 0 CEAERP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cncc(F)c1 ZINC000657433409 414932732 /nfs/dbraw/zinc/93/27/32/414932732.db2.gz WKAJWPDBRWVNQO-SNVBAGLBSA-N 2 0 260.316 2.214 10 0 CEAERP Cc1cc(NCC23CC(C2)C[NH2+]3)c2ccccc2[nH+]1 ZINC000663274806 414900483 /nfs/dbraw/zinc/90/04/83/414900483.db2.gz WEHYLBOLNJNDOB-UHFFFAOYSA-N 2 0 253.349 2.129 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(CC(C)C)cc1 ZINC000043810501 175109675 /nfs/dbraw/zinc/10/96/75/175109675.db2.gz XLVRLICSWHWYPC-SFHVURJKSA-N 2 0 289.467 2.393 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897055 175119788 /nfs/dbraw/zinc/11/97/88/175119788.db2.gz UUDREJYXVLVRRE-JYJNAYRXSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897097 175119860 /nfs/dbraw/zinc/11/98/60/175119860.db2.gz BUPOFDHILCMXER-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897552 175120330 /nfs/dbraw/zinc/12/03/30/175120330.db2.gz UQNLWDOWIRUWHJ-ZFWWWQNUSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043897519 175120649 /nfs/dbraw/zinc/12/06/49/175120649.db2.gz HYMRWAFQWYULMD-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000043967660 175129040 /nfs/dbraw/zinc/12/90/40/175129040.db2.gz CSOIJVXNOJAYJK-GOSISDBHSA-N 2 0 287.451 2.426 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000044807921 175256893 /nfs/dbraw/zinc/25/68/93/175256893.db2.gz GZHZFBDETYRYIJ-UHFFFAOYSA-N 2 0 297.487 2.474 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000044808429 175257197 /nfs/dbraw/zinc/25/71/97/175257197.db2.gz AGSUPGFOOBWJBA-CQSZACIVSA-N 2 0 283.460 2.132 10 0 CEAERP CC[C@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136107 175313349 /nfs/dbraw/zinc/31/33/49/175313349.db2.gz FSDHSVFNMKMBTR-NEPJUHHUSA-N 2 0 255.431 2.188 10 0 CEAERP CCC[NH+](CCC)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045378502 175367743 /nfs/dbraw/zinc/36/77/43/175367743.db2.gz IHGGIXZOGGTIQL-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)CC(C)C ZINC000045380829 175369689 /nfs/dbraw/zinc/36/96/89/175369689.db2.gz BLEDUQVYGBKOBD-CQSZACIVSA-N 2 0 258.406 2.025 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)C(C)C ZINC000045383622 175370790 /nfs/dbraw/zinc/37/07/90/175370790.db2.gz NYTYTDAGXIFASR-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385528 175372018 /nfs/dbraw/zinc/37/20/18/175372018.db2.gz DSHJPGYGFZLTLV-DZGCQCFKSA-N 2 0 271.449 2.131 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392906 175375870 /nfs/dbraw/zinc/37/58/70/175375870.db2.gz MXUHGVSZWVHJDI-BBRMVZONSA-N 2 0 283.460 2.129 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070553364 175982099 /nfs/dbraw/zinc/98/20/99/175982099.db2.gz WPJKEAHEVQEUCL-OAHLLOKOSA-N 2 0 275.440 2.104 10 0 CEAERP CC(C)(C)[NH+]1CCN(Cc2ccccc2CC[NH3+])CC1 ZINC000070553272 175982429 /nfs/dbraw/zinc/98/24/29/175982429.db2.gz VJSKSOMKOWVZKW-UHFFFAOYSA-N 2 0 275.440 2.104 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036159 176025509 /nfs/dbraw/zinc/02/55/09/176025509.db2.gz UCQNJLLUQDOCQD-OAHLLOKOSA-N 2 0 283.460 2.096 10 0 CEAERP CCC[NH2+][C@@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038087 176026321 /nfs/dbraw/zinc/02/63/21/176026321.db2.gz UIEWKSITLYWFCG-LSDHHAIUSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037914 176026647 /nfs/dbraw/zinc/02/66/47/176026647.db2.gz FQCQHGLOITZQDP-HOTGVXAUSA-N 2 0 295.471 2.242 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@@H]2OCCc3ccccc32)CC1 ZINC000071090979 176031595 /nfs/dbraw/zinc/03/15/95/176031595.db2.gz QJMMNAJLNUVWGA-KRWDZBQOSA-N 2 0 274.408 2.232 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090937 176031639 /nfs/dbraw/zinc/03/16/39/176031639.db2.gz CYIRYGXIULWZLK-CZUORRHYSA-N 2 0 262.397 2.230 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](CCCOC)CCOC)C1 ZINC000071124063 176034963 /nfs/dbraw/zinc/03/49/63/176034963.db2.gz TUXQLLNNEBOSBD-JKSUJKDBSA-N 2 0 286.460 2.269 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000071124874 176035107 /nfs/dbraw/zinc/03/51/07/176035107.db2.gz UEWGTZRTAUMUAF-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+]([C@H]2CCC[C@@H](CC)C2)CC1 ZINC000071147678 176043140 /nfs/dbraw/zinc/04/31/40/176043140.db2.gz QELGMTKIIHPWHL-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](c1ccc(C)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148621 176044365 /nfs/dbraw/zinc/04/43/65/176044365.db2.gz VIWMLIVZOABWOC-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP CC[C@@H]1CCC[C@H]([N@H+](CCOC)CCC(N)=[NH2+])C1 ZINC000071149874 176045000 /nfs/dbraw/zinc/04/50/00/176045000.db2.gz KCLXJUHSDJZLQS-OLZOCXBDSA-N 2 0 255.406 2.230 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071187976 176061925 /nfs/dbraw/zinc/06/19/25/176061925.db2.gz AQSSEPRIXDAHRB-HZSPNIEDSA-N 2 0 255.450 2.022 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188116 176063141 /nfs/dbraw/zinc/06/31/41/176063141.db2.gz QQXUANWICXTBTG-COXVUDFISA-N 2 0 293.430 2.488 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188716 176063730 /nfs/dbraw/zinc/06/37/30/176063730.db2.gz DSIPWUJWJTTXJP-ZMSDIMECSA-N 2 0 275.440 2.267 10 0 CEAERP CCC[NH2+][C@H](CCC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188929 176063972 /nfs/dbraw/zinc/06/39/72/176063972.db2.gz OTWGNIQPQOFXFI-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189034 176064272 /nfs/dbraw/zinc/06/42/72/176064272.db2.gz XJVYHMZVWPYBHQ-ZNMIVQPWSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190580 176067029 /nfs/dbraw/zinc/06/70/29/176067029.db2.gz DBCAKVYFWDOSGU-JJXSEGSLSA-N 2 0 268.445 2.200 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191320 176069322 /nfs/dbraw/zinc/06/93/22/176069322.db2.gz INVKYCJNFPLHOU-QBPKDAKJSA-N 2 0 281.488 2.284 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000071191783 176071581 /nfs/dbraw/zinc/07/15/81/176071581.db2.gz VMXLTDKMZCUQPE-AWEZNQCLSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191946 176072088 /nfs/dbraw/zinc/07/20/88/176072088.db2.gz VTQIQELNGKPSOZ-OAHLLOKOSA-N 2 0 293.455 2.471 10 0 CEAERP CCC[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191827 176072865 /nfs/dbraw/zinc/07/28/65/176072865.db2.gz XMIZGZACXJZMHT-AWEZNQCLSA-N 2 0 279.428 2.163 10 0 CEAERP Cc1cccc(NCC[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071192430 176073095 /nfs/dbraw/zinc/07/30/95/176073095.db2.gz FHLSYMRPQFLMOE-OAHLLOKOSA-N 2 0 261.413 2.290 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200585 176077456 /nfs/dbraw/zinc/07/74/56/176077456.db2.gz VSRSGKUVGCEYQS-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H]1CCCN(C2CC[NH+](CCC)CC2)C1 ZINC000071201397 176078316 /nfs/dbraw/zinc/07/83/16/176078316.db2.gz WEWGCYVIZSQZFG-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@H+](CCO)C1CCCC1 ZINC000071263472 176097019 /nfs/dbraw/zinc/09/70/19/176097019.db2.gz JXTGRLPQDJHXBZ-UHFFFAOYSA-N 2 0 266.360 2.021 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071269059 176102850 /nfs/dbraw/zinc/10/28/50/176102850.db2.gz USVHJYDSJBBNMA-ZDUSSCGKSA-N 2 0 259.328 2.203 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290059 176110374 /nfs/dbraw/zinc/11/03/74/176110374.db2.gz CTECDLGAXAIACL-MRXNPFEDSA-N 3 0 269.477 2.428 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)[C@H]1CCCN(C)C1 ZINC000071289783 176110633 /nfs/dbraw/zinc/11/06/33/176110633.db2.gz BKKMSZOXZDMHJE-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCOC(=O)CCCCC[N@H+](CC)C1CC[NH2+]CC1 ZINC000071293036 176111166 /nfs/dbraw/zinc/11/11/66/176111166.db2.gz FIOLXIYXQDVAJN-UHFFFAOYSA-N 2 0 270.417 2.184 10 0 CEAERP CC(C)n1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000071374448 176139503 /nfs/dbraw/zinc/13/95/03/176139503.db2.gz CIBUIJJEYTVJMR-LBPRGKRZSA-N 2 0 297.472 2.284 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)C1CCCC1 ZINC000071379324 176143457 /nfs/dbraw/zinc/14/34/57/176143457.db2.gz NETBHICNVUPEET-ZXFUBFMLSA-N 2 0 279.472 2.466 10 0 CEAERP C[NH+](C)C1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401722 176153864 /nfs/dbraw/zinc/15/38/64/176153864.db2.gz XRNLYAADNNOPHS-QGZVFWFLSA-N 2 0 275.440 2.493 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)cc1C[NH2+]C ZINC000071403734 176155520 /nfs/dbraw/zinc/15/55/20/176155520.db2.gz XVZCHVZPDQNQLD-UHFFFAOYSA-N 2 0 250.386 2.435 10 0 CEAERP CC[C@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000078005381 177316666 /nfs/dbraw/zinc/31/66/66/177316666.db2.gz CXSFBCOBUOBFPY-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000078005566 177316685 /nfs/dbraw/zinc/31/66/85/177316685.db2.gz KDUIFNBUBDQXBF-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000079207706 177446005 /nfs/dbraw/zinc/44/60/05/177446005.db2.gz NDGVKDMYOMAVFJ-HNNXBMFYSA-N 2 0 283.460 2.134 10 0 CEAERP CC[NH2+]Cc1csc(N2CC[C@@H]([NH+](CC)CC)C2)n1 ZINC000079968419 177590282 /nfs/dbraw/zinc/59/02/82/177590282.db2.gz KDZMFEJMWWUJGL-CYBMUJFWSA-N 2 0 282.457 2.173 10 0 CEAERP CN(C)[C@@H](C[NH2+]C1CCC([NH3+])CC1)c1cccs1 ZINC000094075229 276826526 /nfs/dbraw/zinc/82/65/26/276826526.db2.gz SKHOZFWLKIIITP-BPCQOVAHSA-N 2 0 267.442 2.210 10 0 CEAERP CO[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000261553667 277296511 /nfs/dbraw/zinc/29/65/11/277296511.db2.gz ALDBSGGSDAOQFU-CBBWQLFWSA-N 2 0 254.418 2.454 10 0 CEAERP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466416 281066064 /nfs/dbraw/zinc/06/60/64/281066064.db2.gz HMTILSQFKZKWTD-JSGCOSHPSA-N 2 0 291.443 2.330 10 0 CEAERP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000573952776 314187008 /nfs/dbraw/zinc/18/70/08/314187008.db2.gz VTLOHGLIBJQOJZ-PMRDFSHISA-N 2 0 274.408 2.322 10 0 CEAERP CC(C)[NH2+]Cc1cc(COCC[C@H]2CCC[N@@H+]2C)on1 ZINC000052673346 519726036 /nfs/dbraw/zinc/72/60/36/519726036.db2.gz NNVXXHVJSWJKHE-CQSZACIVSA-N 2 0 281.400 2.174 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477510 519794785 /nfs/dbraw/zinc/79/47/85/519794785.db2.gz KYJBQPDZTOXFPW-OAHLLOKOSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)CC2CC2)CCOCC1 ZINC000052182150 519909541 /nfs/dbraw/zinc/90/95/41/519909541.db2.gz UDMQIVNNFJCOGH-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CCC)CCN(C)C ZINC000052544233 519913448 /nfs/dbraw/zinc/91/34/48/519913448.db2.gz MZRDXRNBHDFQPB-OAHLLOKOSA-N 2 0 257.466 2.428 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379021 519926967 /nfs/dbraw/zinc/92/69/67/519926967.db2.gz OLJZCHXBBOXSPP-SOUVJXGZSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CCO ZINC000053863729 520215311 /nfs/dbraw/zinc/21/53/11/520215311.db2.gz XOFHIBSPCOVRRT-ZNMIVQPWSA-N 2 0 254.418 2.002 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](Cc1cccs1)C1CC1 ZINC000062741069 520307725 /nfs/dbraw/zinc/30/77/25/520307725.db2.gz JSFMBLNQGDMWFS-CYBMUJFWSA-N 2 0 268.426 2.466 10 0 CEAERP CCC(CC)(C[NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063734 521426675 /nfs/dbraw/zinc/42/66/75/521426675.db2.gz JPDAVXVNZXSRBD-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP CCCc1nc(N2CC[NH+]([C@H](C)CC)CC2)sc1C[NH3+] ZINC000055076542 521532685 /nfs/dbraw/zinc/53/26/85/521532685.db2.gz WIBPMJGQABUMCN-GFCCVEGCSA-N 2 0 296.484 2.475 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cccnc1C[NH3+] ZINC000061656836 521559972 /nfs/dbraw/zinc/55/99/72/521559972.db2.gz ODCDCCIBNPQZQH-UHFFFAOYSA-N 2 0 265.401 2.177 10 0 CEAERP C[NH+](C)CCOCc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052669569 521793781 /nfs/dbraw/zinc/79/37/81/521793781.db2.gz UYOQBSNLLMSCJF-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573468 522192384 /nfs/dbraw/zinc/19/23/84/522192384.db2.gz SJOYYSDLBSLBRU-OAHLLOKOSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](CCO)C1CCCCC1 ZINC000053859167 522490094 /nfs/dbraw/zinc/49/00/94/522490094.db2.gz JNYRHDYDBNARTJ-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372417 522543328 /nfs/dbraw/zinc/54/33/28/522543328.db2.gz LRKFAAKFMHMREB-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP C([NH2+]C1CC1)C1(CN2CC[NH+](C3CC3)CC2)CCCC1 ZINC000051285125 518395759 /nfs/dbraw/zinc/39/57/59/518395759.db2.gz CQQQUJWAAPEDJS-UHFFFAOYSA-N 2 0 277.456 2.079 10 0 CEAERP CC(C)=CC[NH+]1CCC(N[C@H](C)CC[NH+](C)C)CC1 ZINC000049554235 519427282 /nfs/dbraw/zinc/42/72/82/519427282.db2.gz AOZNTAHYOAKSDY-OAHLLOKOSA-N 2 0 267.461 2.347 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763425 519719747 /nfs/dbraw/zinc/71/97/47/519719747.db2.gz DPTRAKUBEYEVNK-INIZCTEOSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479956 519724431 /nfs/dbraw/zinc/72/44/31/519724431.db2.gz LLAGUPBTKWGAEC-OAHLLOKOSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[NH2+]C[C@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424436 519724662 /nfs/dbraw/zinc/72/46/62/519724662.db2.gz WEKZYJLHAOCEJS-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382052 519725652 /nfs/dbraw/zinc/72/56/52/519725652.db2.gz CQTXKDXMSPDKSO-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1OCC[N@@H+]1CCCOCC1 ZINC000061935806 519727648 /nfs/dbraw/zinc/72/76/48/519727648.db2.gz TYODYOVZCYARCV-UHFFFAOYSA-N 2 0 292.423 2.286 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055082982 519727948 /nfs/dbraw/zinc/72/79/48/519727948.db2.gz PHHYZGCMGCQYNY-MRXNPFEDSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905572 519728698 /nfs/dbraw/zinc/72/86/98/519728698.db2.gz DULWJPLHPKNVJR-GFCCVEGCSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000062663931 519804376 /nfs/dbraw/zinc/80/43/76/519804376.db2.gz XIJCVRUEEUDEDR-HOTGVXAUSA-N 2 0 267.461 2.035 10 0 CEAERP CCCN1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC)C3)CC1 ZINC000054628832 519844975 /nfs/dbraw/zinc/84/49/75/519844975.db2.gz KPOPSHDOFGHSRG-ZXFUBFMLSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049553839 519847612 /nfs/dbraw/zinc/84/76/12/519847612.db2.gz BNSUAOJHMNJGPA-GJZGRUSLSA-N 3 0 269.477 2.427 10 0 CEAERP CCCC1CC[NH+](CCC[C@](C)([NH2+]CC)C(N)=O)CC1 ZINC000050905785 519900773 /nfs/dbraw/zinc/90/07/73/519900773.db2.gz DXLKNSKKLMCEGO-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)COCC ZINC000054629582 519908725 /nfs/dbraw/zinc/90/87/25/519908725.db2.gz KAIBOZDUWYGHLW-AVOUXACISA-N 2 0 254.418 2.406 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182383 519909799 /nfs/dbraw/zinc/90/97/99/519909799.db2.gz MCCLVCMJIAJXDA-INIZCTEOSA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515391 519913039 /nfs/dbraw/zinc/91/30/39/519913039.db2.gz NDJMXPJOTAPFRP-HNNXBMFYSA-N 3 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654490 519948352 /nfs/dbraw/zinc/94/83/52/519948352.db2.gz FWHSGXBVUJGYBR-AWEZNQCLSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CC[NH+](CC(C)C)CC2)nc1 ZINC000055082484 519949977 /nfs/dbraw/zinc/94/99/77/519949977.db2.gz ADQFNEDFAVPLIA-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346600 519953954 /nfs/dbraw/zinc/95/39/54/519953954.db2.gz OVUFMGIVEWNQGY-LSDHHAIUSA-N 2 0 266.385 2.177 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416593 519980484 /nfs/dbraw/zinc/98/04/84/519980484.db2.gz WQULCUMJCYVVCC-KGLIPLIRSA-N 2 0 280.437 2.263 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCCOC)CCOC)oc1C ZINC000052543235 519988344 /nfs/dbraw/zinc/98/83/44/519988344.db2.gz JHSRXOORKGORLJ-UHFFFAOYSA-N 2 0 298.427 2.182 10 0 CEAERP CC[NH2+]Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)oc1C ZINC000052515295 519988484 /nfs/dbraw/zinc/98/84/84/519988484.db2.gz MKWAUVXJAKOYFC-UHFFFAOYSA-N 3 0 293.455 2.471 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)COC)oc1C ZINC000052511466 519988771 /nfs/dbraw/zinc/98/87/71/519988771.db2.gz JEONLJRIPZMZTF-NSHDSACASA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000052480109 519994596 /nfs/dbraw/zinc/99/45/96/519994596.db2.gz RMYHPTINPVDXPT-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654540 520006820 /nfs/dbraw/zinc/00/68/20/520006820.db2.gz NYNDJLOFJFTHBL-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CC[NH+](C2CC2)CC1 ZINC000052371418 520008176 /nfs/dbraw/zinc/00/81/76/520008176.db2.gz IVILCFYWXBLPJJ-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP CC[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000052380884 520009236 /nfs/dbraw/zinc/00/92/36/520009236.db2.gz NVBNBQSTLVNZNE-KBPBESRZSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1occc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515320 520030483 /nfs/dbraw/zinc/03/04/83/520030483.db2.gz RLXBMOMZAVHHNM-UHFFFAOYSA-N 3 0 279.428 2.163 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+]([C@@H](C)CC)CC1)C1CC1 ZINC000069075025 520082779 /nfs/dbraw/zinc/08/27/79/520082779.db2.gz OAQLYSLJHJSICI-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062805212 520097316 /nfs/dbraw/zinc/09/73/16/520097316.db2.gz NYAWLGSJZKBEFD-AWEZNQCLSA-N 2 0 264.369 2.060 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082090 520117375 /nfs/dbraw/zinc/11/73/75/520117375.db2.gz UFIZGRBEULWXLN-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554615 520120746 /nfs/dbraw/zinc/12/07/46/520120746.db2.gz ZLPNPEDAQXLBNB-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](CCO)C1CC1 ZINC000054560566 520122826 /nfs/dbraw/zinc/12/28/26/520122826.db2.gz SHSFZTOHFMOJOV-ZMSDIMECSA-N 2 0 282.472 2.494 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000054560320 520219200 /nfs/dbraw/zinc/21/92/00/520219200.db2.gz LYLZDKCRXVEJHH-HZMVEIRTSA-N 2 0 282.472 2.494 10 0 CEAERP CCCC[N@H+](CCO)[C@H](CC[NH3+])c1ccccc1 ZINC000055016761 520525635 /nfs/dbraw/zinc/52/56/35/520525635.db2.gz BEBBGRKNOAOXSW-OAHLLOKOSA-N 2 0 250.386 2.171 10 0 CEAERP CCCC[N@H+](CCn1cc(C[NH2+]C2CC2)nn1)[C@@H](C)CC ZINC000052372715 520540552 /nfs/dbraw/zinc/54/05/52/520540552.db2.gz SRORSFSVOBLNMQ-AWEZNQCLSA-N 2 0 293.459 2.431 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050948051 520568996 /nfs/dbraw/zinc/56/89/96/520568996.db2.gz SYUHQQDGJYRTEF-OAHLLOKOSA-N 2 0 295.471 2.242 10 0 CEAERP CC[NH+](CC)CCOc1cccc(C[NH2+]CCOC)c1 ZINC000062731605 520699445 /nfs/dbraw/zinc/69/94/45/520699445.db2.gz HBKGOHMJRWUHNN-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCC[C@@H]([NH3+])[C@H](CC)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979115 520727372 /nfs/dbraw/zinc/72/73/72/520727372.db2.gz ZXIBSYIJJUWAKT-ZNMIVQPWSA-N 2 0 253.434 2.063 10 0 CEAERP CC[N@H+](C[C@H]1CCCO1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182547 521269137 /nfs/dbraw/zinc/26/91/37/521269137.db2.gz VWZHOFYDAZQDPH-MRXNPFEDSA-N 2 0 298.471 2.282 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052544067 521564953 /nfs/dbraw/zinc/56/49/53/521564953.db2.gz UAGODYMSEMGTFM-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CCCN(CC[NH+](C)C)c1ncc([C@@H](C)[NH2+]C)s1 ZINC000054908152 521659039 /nfs/dbraw/zinc/65/90/39/521659039.db2.gz JWIVUGSERYQRTC-LLVKDONJSA-N 2 0 270.446 2.202 10 0 CEAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052422540 521689236 /nfs/dbraw/zinc/68/92/36/521689236.db2.gz CAQMTJVPPSQOCH-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP C[NH+](C)CCOCc1c2ccccc2sc1C[NH3+] ZINC000052669716 521795683 /nfs/dbraw/zinc/79/56/83/521795683.db2.gz KTUUVNHFTHGQSZ-UHFFFAOYSA-N 2 0 264.394 2.438 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CCC[NH2+]C1CCCCC1 ZINC000061655069 521837652 /nfs/dbraw/zinc/83/76/52/521837652.db2.gz DKQNKHVZAZOWPO-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[N@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052451268 522086602 /nfs/dbraw/zinc/08/66/02/522086602.db2.gz HVCBZRVCTDOCDE-CQSZACIVSA-N 2 0 281.448 2.144 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425381 522094381 /nfs/dbraw/zinc/09/43/81/522094381.db2.gz GXITTYJDEJBNGY-CABCVRRESA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1c(C)cc(C)nc1N1CC[NH+](CC(C)C)CC1 ZINC000055082448 522098964 /nfs/dbraw/zinc/09/89/64/522098964.db2.gz XLSUAQHFSLXJPL-UHFFFAOYSA-N 2 0 290.455 2.196 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](C3CCCC3)CC2)c(C)o1 ZINC000052573550 522105876 /nfs/dbraw/zinc/10/58/76/522105876.db2.gz DZJUCVRMSVOPGN-UHFFFAOYSA-N 2 0 291.439 2.368 10 0 CEAERP C[NH2+]Cc1ccc(N2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000062035938 522120846 /nfs/dbraw/zinc/12/08/46/522120846.db2.gz YSKJSPITSZXVSQ-UHFFFAOYSA-N 2 0 288.439 2.113 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000055076545 522136890 /nfs/dbraw/zinc/13/68/90/522136890.db2.gz CLWONVYWNKOALY-LLVKDONJSA-N 2 0 282.457 2.091 10 0 CEAERP C[NH2+]Cc1oc(CN2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000052571725 522159524 /nfs/dbraw/zinc/15/95/24/522159524.db2.gz BGBKDZDWGUDXQU-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP C[NH2+]Cc1sc(N2CC[NH+](C3CCCC3)CC2)nc1C ZINC000054998314 522166516 /nfs/dbraw/zinc/16/65/16/522166516.db2.gz PRILJUPWNUSDLP-UHFFFAOYSA-N 2 0 294.468 2.236 10 0 CEAERP C[NH2+][C@H]1CCc2c1cccc2OCC[NH+]1CCCC1 ZINC000062799045 522506094 /nfs/dbraw/zinc/50/60/94/522506094.db2.gz SROWEFZTUAFNRY-HNNXBMFYSA-N 2 0 260.381 2.368 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078857 522509715 /nfs/dbraw/zinc/50/97/15/522509715.db2.gz GNVLYRGHKDJUMH-ROUUACIJSA-N 2 0 287.451 2.145 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077045 522649627 /nfs/dbraw/zinc/64/96/27/522649627.db2.gz NCSIWUINCAFIKB-IAGOWNOFSA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977606 522654079 /nfs/dbraw/zinc/65/40/79/522654079.db2.gz QCNYZLVRULDBQQ-BBWFWOEESA-N 2 0 288.439 2.030 10 0 CEAERP COC1CC[NH+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022782 522707926 /nfs/dbraw/zinc/70/79/26/522707926.db2.gz YISNEKQWJHMGTM-AWEZNQCLSA-N 2 0 261.369 2.165 10 0 CEAERP C[N@H+](CCCC1CC[NH2+]CC1)CCc1ccncc1 ZINC000050952805 522728278 /nfs/dbraw/zinc/72/82/78/522728278.db2.gz WHYZYDGRJFAWAR-UHFFFAOYSA-N 2 0 261.413 2.336 10 0 CEAERP CC[C@@H]1CCCC[N@@H+]1CC1(C[NH2+]C)CCOCC1 ZINC000052181311 523167523 /nfs/dbraw/zinc/16/75/23/523167523.db2.gz RXJLNZOXCMOZHB-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000062978874 523352976 /nfs/dbraw/zinc/35/29/76/523352976.db2.gz HMYGOYLUBHRVTE-QKPAOTATSA-N 2 0 267.461 2.309 10 0 CEAERP COCC[N@H+](CCCC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572257 523693139 /nfs/dbraw/zinc/69/31/39/523693139.db2.gz ZPVLCSNUUOJFEO-AWEZNQCLSA-N 2 0 274.449 2.138 10 0 CEAERP COCC[N@H+](C[C@@H](C)C[NH2+]C(C)C)[C@@H](C)C1CC1 ZINC000052545310 523730637 /nfs/dbraw/zinc/73/06/37/523730637.db2.gz MPBJGBGGWSNTHN-KBPBESRZSA-N 2 0 256.434 2.367 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1ccoc1C[NH2+]C ZINC000052547308 523938610 /nfs/dbraw/zinc/93/86/10/523938610.db2.gz UDIJHLGTIVLSSW-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074744 523954864 /nfs/dbraw/zinc/95/48/64/523954864.db2.gz QSEFDWGEVFLTDC-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063805 523959307 /nfs/dbraw/zinc/95/93/07/523959307.db2.gz HEJACUXUUVTISX-GXTWGEPZSA-N 2 0 281.469 2.472 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064855 523959692 /nfs/dbraw/zinc/95/96/92/523959692.db2.gz DPMUELFPSOFLGP-SWLSCSKDSA-N 2 0 297.393 2.381 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]CCCOCC(F)(F)F ZINC000049312177 524046502 /nfs/dbraw/zinc/04/65/02/524046502.db2.gz RURZEZDBNRSWSJ-UHFFFAOYSA-N 2 0 270.339 2.133 10 0 CEAERP C[C@H](CCC[NH3+])O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702321 524140327 /nfs/dbraw/zinc/14/03/27/524140327.db2.gz VFBMAOARNFMFBO-ZBFHGGJFSA-N 2 0 262.397 2.405 10 0 CEAERP C[C@@H]1CCC[C@](CN)([NH+]2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000068628375 524428943 /nfs/dbraw/zinc/42/89/43/524428943.db2.gz WCYWLBQWWHPOJA-BFYDXBDKSA-N 2 0 281.488 2.414 10 0 CEAERP Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641996 524839657 /nfs/dbraw/zinc/83/96/57/524839657.db2.gz XEENQGKKNUUWOB-USXIJHARSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642153 524856581 /nfs/dbraw/zinc/85/65/81/524856581.db2.gz OUJLIJDMTOHXMA-IACUBPJLSA-N 2 0 267.442 2.162 10 0 CEAERP c1cc(C[N@@H+](CCN2CCC[NH2+]CC2)C2CC2)cs1 ZINC000061275308 526420631 /nfs/dbraw/zinc/42/06/31/526420631.db2.gz FUIWNRGCSJDHMB-UHFFFAOYSA-N 2 0 279.453 2.008 10 0 CEAERP NC(=[NH2+])C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055023435 526816614 /nfs/dbraw/zinc/81/66/14/526816614.db2.gz FMAZOJZVQXMZJE-CABCVRRESA-N 2 0 275.396 2.291 10 0 CEAERP Cc1nc(N2CCC([NH+]3CCCCC3)CC2)sc1C[NH3+] ZINC000054998388 526962440 /nfs/dbraw/zinc/96/24/40/526962440.db2.gz VDSVWXRIDVZXJD-UHFFFAOYSA-N 2 0 294.468 2.365 10 0 CEAERP [NH3+]CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055015178 527192754 /nfs/dbraw/zinc/19/27/54/527192754.db2.gz VIXORDFLZPMNGK-HZPDHXFCSA-N 2 0 262.397 2.313 10 0 CEAERP [NH3+][C@H]1CCc2c1cccc2OCC[NH+]1CCCCC1 ZINC000062798438 527416052 /nfs/dbraw/zinc/41/60/52/527416052.db2.gz PWIDXLWZYOVMRQ-HNNXBMFYSA-N 2 0 260.381 2.497 10 0 CEAERP C[NH2+][C@H](C)c1ccnc(N2CCC(C[NH+](C)C)CC2)c1 ZINC000094998926 536406763 /nfs/dbraw/zinc/40/67/63/536406763.db2.gz RRPWNAXROOYUDL-CYBMUJFWSA-N 2 0 276.428 2.140 10 0 CEAERP CC(C)[C@H]1[NH2+][C@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142702 574510237 /nfs/dbraw/zinc/51/02/37/574510237.db2.gz DGASPWYKVFWDAY-UKRRQHHQSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)[C@@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149756 574510683 /nfs/dbraw/zinc/51/06/83/574510683.db2.gz OSVDQWZTDITUQA-DZGCQCFKSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)CCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000096889381 185123774 /nfs/dbraw/zinc/12/37/74/185123774.db2.gz IABAVGNKDHOCFA-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP [NH3+]C[C@@H]1CCO[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096949611 185139301 /nfs/dbraw/zinc/13/93/01/185139301.db2.gz OESZXCWZYXXBBP-CVEARBPZSA-N 2 0 260.381 2.016 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261565020 282188137 /nfs/dbraw/zinc/18/81/37/282188137.db2.gz XZKXFFBYRAKKLD-WDEREUQCSA-N 2 0 251.761 2.089 10 0 CEAERP CN(Cc1cncc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000621775816 349698684 /nfs/dbraw/zinc/69/86/84/349698684.db2.gz ZOTUJSWWSBLYQT-ZDUSSCGKSA-N 2 0 253.777 2.309 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)C2CCC([NH3+])CC2)cc1 ZINC000037629938 343430177 /nfs/dbraw/zinc/43/01/77/343430177.db2.gz FSZXRDLSXZMFIW-UHFFFAOYSA-N 2 0 275.396 2.204 10 0 CEAERP NC(=[NH2+])NC(=[NH2+])Nc1ccccc1OCc1ccccc1 ZINC000306674020 344716206 /nfs/dbraw/zinc/71/62/06/344716206.db2.gz PDFKVJFRHXVYLB-UHFFFAOYSA-N 2 0 283.335 2.095 10 0 CEAERP COc1cccc([C@@]23CC[N@H+](C)[C@@H](C[C@H]([NH3+])C2)C3)c1 ZINC000584624858 344968338 /nfs/dbraw/zinc/96/83/38/344968338.db2.gz FSEJGVIGKUJPSS-DZKIICNBSA-N 2 0 260.381 2.148 10 0 CEAERP C[NH2+][C@@](C)(CO)CCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000085210983 178973677 /nfs/dbraw/zinc/97/36/77/178973677.db2.gz NCLKCBJKAHFKSD-MRXNPFEDSA-N 2 0 270.461 2.495 10 0 CEAERP CCCC1CC[NH+](CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085302050 179010834 /nfs/dbraw/zinc/01/08/34/179010834.db2.gz DNNAMLBFEZUTCR-HNNXBMFYSA-N 2 0 256.434 2.379 10 0 CEAERP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC000085385124 179046349 /nfs/dbraw/zinc/04/63/49/179046349.db2.gz NPVVDROYLMREOO-MJBXVCDLSA-N 2 0 254.418 2.121 10 0 CEAERP CC[C@@H](C)NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403756 179052878 /nfs/dbraw/zinc/05/28/78/179052878.db2.gz KOCASBNMSVJRLO-GDBMZVCRSA-N 2 0 295.471 2.145 10 0 CEAERP CCCc1nc2c(n1C[C@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573452 179097904 /nfs/dbraw/zinc/09/79/04/179097904.db2.gz CLWKKPAYHHRGIO-AWEZNQCLSA-N 2 0 290.455 2.356 10 0 CEAERP C[NH+]1CCC(n2c3c(nc2C(C)(C)C)C[NH2+]CC3)CC1 ZINC000085569816 179096066 /nfs/dbraw/zinc/09/60/66/179096066.db2.gz IGYIUEUZZDDISH-UHFFFAOYSA-N 2 0 276.428 2.093 10 0 CEAERP CC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085570478 179096312 /nfs/dbraw/zinc/09/63/12/179096312.db2.gz ADXIHXZZGASULY-CQSZACIVSA-N 2 0 290.455 2.069 10 0 CEAERP CC(C)Cc1nc2c(n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085572722 179097122 /nfs/dbraw/zinc/09/71/22/179097122.db2.gz MAUGVLWHJUCULW-UHFFFAOYSA-N 2 0 290.455 2.213 10 0 CEAERP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626733 179106723 /nfs/dbraw/zinc/10/67/23/179106723.db2.gz ONYIYUGTBSCRGM-WCQYABFASA-N 2 0 294.361 2.418 10 0 CEAERP C[C@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626610 179106939 /nfs/dbraw/zinc/10/69/39/179106939.db2.gz RBUAJFVMVWFMNX-AEGPPILISA-N 2 0 252.402 2.018 10 0 CEAERP C([C@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610452 179101883 /nfs/dbraw/zinc/10/18/83/179101883.db2.gz OFLVFTFIFHUWTJ-CQSZACIVSA-N 2 0 252.402 2.164 10 0 CEAERP CC[C@@](CN)(C1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086120697 179234933 /nfs/dbraw/zinc/23/49/33/179234933.db2.gz STPMSMRDZVLOJE-QGZVFWFLSA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@](C[NH3+])(C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000086120020 179234945 /nfs/dbraw/zinc/23/49/45/179234945.db2.gz JSFNOTSNQLYNQN-SFHVURJKSA-N 2 0 287.451 2.322 10 0 CEAERP C[C@H](CC[NH+](C)C)N1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086144719 179237691 /nfs/dbraw/zinc/23/76/91/179237691.db2.gz FMVWOWPXUGIGFD-NVXWUHKLSA-N 2 0 275.440 2.147 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086171837 179243736 /nfs/dbraw/zinc/24/37/36/179243736.db2.gz ZWDJAZIYFMYXLL-GVDBMIGSSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173733 179245103 /nfs/dbraw/zinc/24/51/03/179245103.db2.gz SNJHGDNDPGEULX-PMPSAXMXSA-N 2 0 267.461 2.179 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177560 179247171 /nfs/dbraw/zinc/24/71/71/179247171.db2.gz GDUUOQJGNZUUEL-DLBZAZTESA-N 2 0 273.424 2.117 10 0 CEAERP CC(C)[C@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146720 179238933 /nfs/dbraw/zinc/23/89/33/179238933.db2.gz NMSASDWPCUKWEC-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182729 179247994 /nfs/dbraw/zinc/24/79/94/179247994.db2.gz WDEUUCCBASSKTH-IXDOHACOSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182543 179248201 /nfs/dbraw/zinc/24/82/01/179248201.db2.gz DHIDTUDNBXPRNN-BZUAXINKSA-N 2 0 279.472 2.179 10 0 CEAERP CCC[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223070 179251051 /nfs/dbraw/zinc/25/10/51/179251051.db2.gz DDUXYZJLJWAJPA-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223171 179252023 /nfs/dbraw/zinc/25/20/23/179252023.db2.gz HZQHXSJMIQOMLJ-IKGGRYGDSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182736 179247826 /nfs/dbraw/zinc/24/78/26/179247826.db2.gz WDEUUCCBASSKTH-YESZJQIVSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259328 179258709 /nfs/dbraw/zinc/25/87/09/179258709.db2.gz LYEBKUSILAMSFB-LSDHHAIUSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@H]1CNC2(CCCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261066 179259975 /nfs/dbraw/zinc/25/99/75/179259975.db2.gz CPKURCLLXUMZLE-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255776 179256738 /nfs/dbraw/zinc/25/67/38/179256738.db2.gz QWYFREUKQFVZKV-CWRNSKLLSA-N 2 0 267.461 2.035 10 0 CEAERP C[C@H]1CNC2(CCCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259026 179257178 /nfs/dbraw/zinc/25/71/78/179257178.db2.gz FVWWWXMTTKHTNE-HNNXBMFYSA-N 2 0 279.472 2.325 10 0 CEAERP C(C[N@@H+]1CCC[NH2+]C2(CCCC2)C1)[C@H]1CCCO1 ZINC000086291390 179265719 /nfs/dbraw/zinc/26/57/19/179265719.db2.gz OAGYJDZZHQFJNF-CQSZACIVSA-N 2 0 252.402 2.164 10 0 CEAERP CO[C@@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293538 179267291 /nfs/dbraw/zinc/26/72/91/179267291.db2.gz GDVFXJXNYGERHL-ZIAGYGMSSA-N 2 0 252.402 2.162 10 0 CEAERP CCC1(CC)C[N@@H+]([C@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293600 179268346 /nfs/dbraw/zinc/26/83/46/179268346.db2.gz PHDBOCQQZVTNPJ-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086442767 179293563 /nfs/dbraw/zinc/29/35/63/179293563.db2.gz LRDIOSBQBZJVSM-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP CN(c1nc2c(s1)CCC[C@H]2[NH3+])C1CC[NH+](C)CC1 ZINC000086442033 179293732 /nfs/dbraw/zinc/29/37/32/179293732.db2.gz HNFSYUNXCABTPS-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443793 179293734 /nfs/dbraw/zinc/29/37/34/179293734.db2.gz XLDRBUSQEFDEQY-NSHDSACASA-N 2 0 294.468 2.400 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086441971 179293778 /nfs/dbraw/zinc/29/37/78/179293778.db2.gz FMGKVYCLGMHCMW-LLVKDONJSA-N 2 0 280.441 2.011 10 0 CEAERP CN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819219 179348075 /nfs/dbraw/zinc/34/80/75/179348075.db2.gz LDSOKWDZEOAZQV-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP C[N@@H+]1CCC[C@@](CN)([NH+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819500 179348438 /nfs/dbraw/zinc/34/84/38/179348438.db2.gz RYWRGDIYJGXHCG-IAGOWNOFSA-N 2 0 279.472 2.454 10 0 CEAERP CCCCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819414 179348668 /nfs/dbraw/zinc/34/86/68/179348668.db2.gz HKFCCGQBRHQORZ-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818815 179346891 /nfs/dbraw/zinc/34/68/91/179346891.db2.gz PPFQJQYCHDGICC-GJZGRUSLSA-N 2 0 260.381 2.064 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C(C)C)CC1 ZINC000086848123 179357140 /nfs/dbraw/zinc/35/71/40/179357140.db2.gz GBZZSRJFZOWZOW-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847545 179357371 /nfs/dbraw/zinc/35/73/71/179357371.db2.gz HDEJBHKYADYWPQ-HNNXBMFYSA-N 2 0 285.501 2.019 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843672 179352509 /nfs/dbraw/zinc/35/25/09/179352509.db2.gz RPRUEDGXKOCLKR-HNNXBMFYSA-N 2 0 264.417 2.127 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848958 179357791 /nfs/dbraw/zinc/35/77/91/179357791.db2.gz NVFSTXXYLBCYTH-INIZCTEOSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845052 179354922 /nfs/dbraw/zinc/35/49/22/179354922.db2.gz WCDHYLKIGRVDGJ-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP CCCN(C(C)C)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846776 179355655 /nfs/dbraw/zinc/35/56/55/179355655.db2.gz JRWWSQGMEQGFEQ-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851233 179359234 /nfs/dbraw/zinc/35/92/34/179359234.db2.gz SMQULMAHDPYRIE-INIZCTEOSA-N 3 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCC[N@H+](CC)CC2)[C@@H](CC)C[NH2+]1 ZINC000086851262 179359243 /nfs/dbraw/zinc/35/92/43/179359243.db2.gz GXDFPIOHEXNJNR-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890704 179366336 /nfs/dbraw/zinc/36/63/36/179366336.db2.gz XNUVWRVDFYMQAB-HZPDHXFCSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913253 179366995 /nfs/dbraw/zinc/36/69/95/179366995.db2.gz DQMXTCKYTONDAO-CABCVRRESA-N 2 0 254.418 2.397 10 0 CEAERP CC(C)[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947878 179368766 /nfs/dbraw/zinc/36/87/66/179368766.db2.gz LDZMOIROVXVTEA-HOTGVXAUSA-N 2 0 267.461 2.168 10 0 CEAERP CCC1CCC(O)(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000087061564 179389500 /nfs/dbraw/zinc/38/95/00/179389500.db2.gz ZUPWTUYLRCNBLW-HWOWSKLDSA-N 2 0 268.445 2.392 10 0 CEAERP COc1c(C)c[nH+]c(C[C@](C)(O)[C@H]2CCC[NH2+]C2)c1C ZINC000087172683 179399013 /nfs/dbraw/zinc/39/90/13/179399013.db2.gz UTCTYFPXZJPZRU-BBRMVZONSA-N 2 0 278.396 2.000 10 0 CEAERP CC1CCC(C[NH3+])(CN(C)CC[NH+]2CCCC2)CC1 ZINC000089582338 179824507 /nfs/dbraw/zinc/82/45/07/179824507.db2.gz SRWDRFUOFYJVIU-UHFFFAOYSA-N 2 0 267.461 2.169 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566573 180006277 /nfs/dbraw/zinc/00/62/77/180006277.db2.gz OHLXFIMDKJQNKN-ZBFHGGJFSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566871 180006393 /nfs/dbraw/zinc/00/63/93/180006393.db2.gz JIPPIQXTLXRTNW-ROUUACIJSA-N 2 0 288.435 2.449 10 0 CEAERP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693654 180026277 /nfs/dbraw/zinc/02/62/77/180026277.db2.gz VNQPXUFMYZIESF-RBSFLKMASA-N 2 0 252.402 2.020 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908691 180062157 /nfs/dbraw/zinc/06/21/57/180062157.db2.gz LXSHMIPONXBFFD-KFWWJZLASA-N 2 0 254.418 2.395 10 0 CEAERP CCC[NH2+]Cc1cccn1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000090996096 180083391 /nfs/dbraw/zinc/08/33/91/180083391.db2.gz FLZNUQZIQNWXHQ-INIZCTEOSA-N 2 0 279.428 2.097 10 0 CEAERP CC[NH+]1CCC([NH2+]Cc2c[nH]c3ncccc23)CC1 ZINC000091017508 180086946 /nfs/dbraw/zinc/08/69/46/180086946.db2.gz PLKSSJKVWUUEGB-UHFFFAOYSA-N 2 0 258.369 2.137 10 0 CEAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019727 180087931 /nfs/dbraw/zinc/08/79/31/180087931.db2.gz AFFWBZNKHDRQOG-LBPRGKRZSA-N 2 0 258.369 2.124 10 0 CEAERP CCCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C[NH3+] ZINC000091428554 180152958 /nfs/dbraw/zinc/15/29/58/180152958.db2.gz RVWGQDAKNACXLZ-LLVKDONJSA-N 2 0 282.457 2.085 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC(C)(C)C[NH2+]C(C)(C)C)C1 ZINC000091431301 180153339 /nfs/dbraw/zinc/15/33/39/180153339.db2.gz XGEBDBNPSUBVNM-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]CC[C@@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091467919 180164230 /nfs/dbraw/zinc/16/42/30/180164230.db2.gz GRYVPGHDRXHJKL-OAHLLOKOSA-N 2 0 266.385 2.000 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000091490739 180169843 /nfs/dbraw/zinc/16/98/43/180169843.db2.gz ZFFOQCHWUBQDJM-NRXISQOPSA-N 2 0 256.434 2.105 10 0 CEAERP Cc1ccc([C@H]([NH3+])CC[N@@H+](C)CC2CC(O)C2)cc1 ZINC000091499028 180173959 /nfs/dbraw/zinc/17/39/59/180173959.db2.gz ZPOQSUAERJLEGO-AVVWSFFYSA-N 2 0 262.397 2.088 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091393575 180145815 /nfs/dbraw/zinc/14/58/15/180145815.db2.gz SBQRLBVTBKYMFW-STQMWFEESA-N 2 0 267.442 2.082 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN(C)C1CC[NH+](C)CC1 ZINC000091402621 180146896 /nfs/dbraw/zinc/14/68/96/180146896.db2.gz IVCVADATOZLJIA-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404840 180147390 /nfs/dbraw/zinc/14/73/90/180147390.db2.gz FJRPYZWSAIPLGI-OAHLLOKOSA-N 3 0 281.488 2.428 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN(C)C1CC[NH+](C)CC1 ZINC000091402617 180147419 /nfs/dbraw/zinc/14/74/19/180147419.db2.gz GDPQNNMOHHRMMR-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H](C1CCOCC1)C(C)(C)[NH+]1CCCCC1 ZINC000091564701 180193145 /nfs/dbraw/zinc/19/31/45/180193145.db2.gz CKAKVQHCQUMTKW-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@](C)([C@@H](Cc1ccncc1)[NH2+]C)[NH+]1CCCC1 ZINC000091606892 180204386 /nfs/dbraw/zinc/20/43/86/180204386.db2.gz PVGONHACZYLNOE-CVEARBPZSA-N 2 0 261.413 2.477 10 0 CEAERP CC1CCC([C@@H](N)Cc2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648756 180216612 /nfs/dbraw/zinc/21/66/12/180216612.db2.gz XILLZZNSWLJFLA-NRAUKZCXSA-N 2 0 276.428 2.044 10 0 CEAERP Cc1ccc(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720587 180236280 /nfs/dbraw/zinc/23/62/80/180236280.db2.gz JILSWROLSNWTIM-IXDOHACOSA-N 2 0 274.408 2.036 10 0 CEAERP CCc1cc(C[N@@H+](CC)C2CCC([NH3+])CC2)n(C)n1 ZINC000091850791 180272436 /nfs/dbraw/zinc/27/24/36/180272436.db2.gz JGYWDRHQIJXKCL-UHFFFAOYSA-N 2 0 264.417 2.074 10 0 CEAERP CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850827 180272552 /nfs/dbraw/zinc/27/25/52/180272552.db2.gz AYUJUUOHWRQQNR-PJPHBNEVSA-N 2 0 295.471 2.368 10 0 CEAERP C[N@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000091844301 180268762 /nfs/dbraw/zinc/26/87/62/180268762.db2.gz DVOHYTFZTDTWML-DAWZGUTISA-N 2 0 287.451 2.463 10 0 CEAERP CC[N@H+](Cc1ccc(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091850930 180271711 /nfs/dbraw/zinc/27/17/11/180271711.db2.gz RAXFFPLDQFTUGL-UHFFFAOYSA-N 2 0 280.368 2.158 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)Cc2cccc(OC)n2)CC1 ZINC000091870268 180277164 /nfs/dbraw/zinc/27/71/64/180277164.db2.gz SZRGKLNNNOTKEI-UHFFFAOYSA-N 2 0 277.412 2.443 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCC[C@H]2CCCO2)CC1 ZINC000091870580 180277407 /nfs/dbraw/zinc/27/74/07/180277407.db2.gz VKHKEQZHEGUIDQ-NRXISQOPSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH+]1CCC(O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091906420 180284121 /nfs/dbraw/zinc/28/41/21/180284121.db2.gz GWEFMADFZUPYLV-UHFFFAOYSA-N 2 0 268.445 2.377 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003571 180304297 /nfs/dbraw/zinc/30/42/97/180304297.db2.gz OWPPMGAZHZEWSE-CABCVRRESA-N 2 0 277.412 2.058 10 0 CEAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1C[C@H](C)[C@H](C)C1)OCCO2 ZINC000092084315 180320292 /nfs/dbraw/zinc/32/02/92/180320292.db2.gz WYTRFDLDGPXIFE-QXSJWSMHSA-N 2 0 296.455 2.238 10 0 CEAERP C[NH2+]Cc1cccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000092089125 180321028 /nfs/dbraw/zinc/32/10/28/180321028.db2.gz OVNXDRGZDLRKSN-ZIAGYGMSSA-N 2 0 262.397 2.373 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@@H]1Cc2ccccc2S1 ZINC000092242246 180351443 /nfs/dbraw/zinc/35/14/43/180351443.db2.gz DNFDUIFBQCWVNV-ZDUSSCGKSA-N 2 0 250.411 2.245 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402329 180377552 /nfs/dbraw/zinc/37/75/52/180377552.db2.gz YUJFFHPFXLEFAJ-NWDGAFQWSA-N 2 0 255.431 2.188 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC000092417220 180380774 /nfs/dbraw/zinc/38/07/74/180380774.db2.gz OBBTWWZFZNPGGX-JTQLQIEISA-N 2 0 253.777 2.294 10 0 CEAERP CCCNc1cc[nH+]c(CN(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000092419004 180382571 /nfs/dbraw/zinc/38/25/71/180382571.db2.gz WIJRATVHUIIXIN-INIZCTEOSA-N 2 0 276.428 2.430 10 0 CEAERP Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)c1 ZINC000108272536 186210081 /nfs/dbraw/zinc/21/00/81/186210081.db2.gz UEGLEDPCAGEOKB-QGZVFWFLSA-N 2 0 297.402 2.073 10 0 CEAERP CC[NH2+][C@@H](C)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496294 186256736 /nfs/dbraw/zinc/25/67/36/186256736.db2.gz VEMBHGHCXWWDBP-RYUDHWBXSA-N 2 0 268.405 2.055 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1c1nc(CC[NH+](CC)CC)no1 ZINC000109496089 186256942 /nfs/dbraw/zinc/25/69/42/186256942.db2.gz CVYBPTWUANEQKE-STQMWFEESA-N 2 0 280.416 2.200 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000109603747 186267996 /nfs/dbraw/zinc/26/79/96/186267996.db2.gz LTDIKSBDTPQELM-HOTGVXAUSA-N 2 0 290.407 2.352 10 0 CEAERP CCc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C(C)C ZINC000110275386 186290021 /nfs/dbraw/zinc/29/00/21/186290021.db2.gz OOPOCWANLUBNRD-GFCCVEGCSA-N 2 0 296.484 2.344 10 0 CEAERP CC[N@@H+]1CCC[C@@H](n2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629822 186307203 /nfs/dbraw/zinc/30/72/03/186307203.db2.gz LLWDSRUPHCKGHG-SNVBAGLBSA-N 2 0 292.358 2.423 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110841000 186328477 /nfs/dbraw/zinc/32/84/77/186328477.db2.gz FXFZLCUGAWXHFO-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC[N@@H+]1C ZINC000110977983 186338640 /nfs/dbraw/zinc/33/86/40/186338640.db2.gz HLFXULZMTMKNTM-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1F ZINC000110977850 186338718 /nfs/dbraw/zinc/33/87/18/186338718.db2.gz DTFWKCSOHZUSNP-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110711642 186315279 /nfs/dbraw/zinc/31/52/79/186315279.db2.gz AVQFIQNSARUIET-OAHLLOKOSA-N 2 0 291.439 2.029 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717316 186315373 /nfs/dbraw/zinc/31/53/73/186315373.db2.gz LOPSNTGOPZMZNJ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@H+](C)[C@H](CC)C1 ZINC000110724193 186317912 /nfs/dbraw/zinc/31/79/12/186317912.db2.gz NQWPIAHAHMEMER-CQSZACIVSA-N 2 0 283.460 2.084 10 0 CEAERP CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110746627 186319227 /nfs/dbraw/zinc/31/92/27/186319227.db2.gz NHIPKCVYWSBELY-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757911 186319655 /nfs/dbraw/zinc/31/96/55/186319655.db2.gz MHKMCSAHSQSDBY-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755314 186320027 /nfs/dbraw/zinc/32/00/27/186320027.db2.gz MPDWEBPQKNGCJV-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755313 186320066 /nfs/dbraw/zinc/32/00/66/186320066.db2.gz MPDWEBPQKNGCJV-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747003 186321078 /nfs/dbraw/zinc/32/10/78/186321078.db2.gz JBEMBINIQDSQCH-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]1CN(Cc2occc2C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110751543 186321981 /nfs/dbraw/zinc/32/19/81/186321981.db2.gz UWWVNWJJJDSMEX-ZDUSSCGKSA-N 2 0 279.428 2.304 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N(C)CCC[NH+](C)C ZINC000111150320 186360572 /nfs/dbraw/zinc/36/05/72/186360572.db2.gz KXNLPKQVNGWKNV-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP C[N@@H+](Cc1cc(C[NH3+])ccc1F)CC1CCOCC1 ZINC000111157339 186362981 /nfs/dbraw/zinc/36/29/81/186362981.db2.gz BVFQMVWNFRVGPO-UHFFFAOYSA-N 2 0 266.360 2.143 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000111131551 186356535 /nfs/dbraw/zinc/35/65/35/186356535.db2.gz WFMWQXNWJGKVJB-AWEZNQCLSA-N 2 0 269.820 2.223 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CC[NH+](C)C ZINC000111129480 186356623 /nfs/dbraw/zinc/35/66/23/186356623.db2.gz MVRHGQIVDRWRCQ-YPMHNXCESA-N 2 0 255.431 2.020 10 0 CEAERP CN(CC[NH+](C)C)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111134661 186357050 /nfs/dbraw/zinc/35/70/50/186357050.db2.gz FPKCGOVFRWIIEB-KLZNEWFBSA-N 2 0 279.472 2.024 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111135914 186357165 /nfs/dbraw/zinc/35/71/65/186357165.db2.gz WONKLFAXJJNCCR-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP CCOc1ccc([C@@H](C)[NH3+])cc1CN(C)CCC[NH+](C)C ZINC000111136418 186357401 /nfs/dbraw/zinc/35/74/01/186357401.db2.gz XRBYAMPJWMICCM-CQSZACIVSA-N 2 0 293.455 2.489 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111140784 186357717 /nfs/dbraw/zinc/35/77/17/186357717.db2.gz FAHYGHWDDFTJGH-UHFFFAOYSA-N 2 0 267.392 2.323 10 0 CEAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111135792 186357759 /nfs/dbraw/zinc/35/77/59/186357759.db2.gz ZNVCIZYSIUZFLK-RBSFLKMASA-N 2 0 255.450 2.166 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)CCC[NH+](C)C ZINC000111136477 186357874 /nfs/dbraw/zinc/35/78/74/186357874.db2.gz OYFKJSVMELZIPR-GDBMZVCRSA-N 2 0 263.429 2.219 10 0 CEAERP CCOc1ccc([C@@H](CN(C)CCC[NH+](C)C)[NH2+]C)cc1 ZINC000111136504 186357986 /nfs/dbraw/zinc/35/79/86/186357986.db2.gz HRHSAQDGKVCPMZ-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCC[NH+](C)C ZINC000111136766 186358050 /nfs/dbraw/zinc/35/80/50/186358050.db2.gz SMRGOODIILGJTA-PBHICJAKSA-N 2 0 293.455 2.228 10 0 CEAERP CCc1ccc([C@@H](CN(C)CCC[NH+](C)C)[NH2+]C)cc1 ZINC000111135918 186358138 /nfs/dbraw/zinc/35/81/38/186358138.db2.gz JVMLFOJARMIIEI-QGZVFWFLSA-N 2 0 277.456 2.393 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CC[NH+](C)C ZINC000111147269 186359086 /nfs/dbraw/zinc/35/90/86/186359086.db2.gz UIIBEQWVGRNZCQ-ZBFHGGJFSA-N 2 0 263.429 2.077 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)CC[NH+](C)C)c(C)o1 ZINC000111149889 186360352 /nfs/dbraw/zinc/36/03/52/186360352.db2.gz IULGRQFEAZDRDW-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000111322143 186396893 /nfs/dbraw/zinc/39/68/93/186396893.db2.gz CVTKFUTYNSQKOF-GJZGRUSLSA-N 2 0 254.418 2.123 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](C)C2CCCCC2)CCCOC1 ZINC000111324312 186397782 /nfs/dbraw/zinc/39/77/82/186397782.db2.gz ABEWWWVGWIPUHI-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccccc2C)CC[N@@H+]1C ZINC000111237355 186373140 /nfs/dbraw/zinc/37/31/40/186373140.db2.gz ZNVDKBYNSNNWRB-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000111708244 186449661 /nfs/dbraw/zinc/44/96/61/186449661.db2.gz CSICRKBNMFEJQK-UONOGXRCSA-N 2 0 289.423 2.334 10 0 CEAERP CC(C)[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562382 351416184 /nfs/dbraw/zinc/41/61/84/351416184.db2.gz MOJMMNJIPIFHKS-HBNTYKKESA-N 2 0 252.324 2.490 10 0 CEAERP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000085638261 295973337 /nfs/dbraw/zinc/97/33/37/295973337.db2.gz NEELHVFIBRPXRD-XQLPTFJDSA-N 2 0 266.429 2.121 10 0 CEAERP CC(=O)Nc1cccc(C2=CC[N@H+](CCC[NH3+])CC2)c1 ZINC000148144368 366580374 /nfs/dbraw/zinc/58/03/74/366580374.db2.gz CUZDKRSUWAJCQW-UHFFFAOYSA-N 2 0 273.380 2.083 10 0 CEAERP Cc1cccc2c(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc[nH+]c12 ZINC000301715306 201156245 /nfs/dbraw/zinc/15/62/45/201156245.db2.gz MPEQNAIMFDYMNF-HOTGVXAUSA-N 2 0 283.375 2.062 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000092634183 364093443 /nfs/dbraw/zinc/09/34/43/364093443.db2.gz HGICVNISVBAADP-HNNXBMFYSA-N 2 0 290.411 2.093 10 0 CEAERP c1cnc2c(c1)cccc2CC[NH2+]C1CC[NH2+]CC1 ZINC000159261929 366894178 /nfs/dbraw/zinc/89/41/78/366894178.db2.gz OFWQPTKLMIYECC-UHFFFAOYSA-N 2 0 255.365 2.119 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000251509338 299381775 /nfs/dbraw/zinc/38/17/75/299381775.db2.gz HTWGSHWRVNZUMN-FPMFFAJLSA-N 2 0 276.380 2.236 10 0 CEAERP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C12CCOCC2 ZINC000186193692 368934572 /nfs/dbraw/zinc/93/45/72/368934572.db2.gz MGJYMRWKBPCMKH-HOTGVXAUSA-N 2 0 298.471 2.282 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798514 370384730 /nfs/dbraw/zinc/38/47/30/370384730.db2.gz FRGZZLIOAJEFFD-HZPDHXFCSA-N 2 0 295.471 2.084 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668370 370485957 /nfs/dbraw/zinc/48/59/57/370485957.db2.gz SUXJFKBLJKIOHZ-OAHLLOKOSA-N 2 0 275.396 2.089 10 0 CEAERP C[N@H+](CCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231668195 370486290 /nfs/dbraw/zinc/48/62/90/370486290.db2.gz DQTASGHLQNZSIU-MRXNPFEDSA-N 2 0 274.408 2.238 10 0 CEAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247202298 371075170 /nfs/dbraw/zinc/07/51/70/371075170.db2.gz WKJOALNNKRORAT-QGPMSJSTSA-N 2 0 288.435 2.356 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000236990320 189857167 /nfs/dbraw/zinc/85/71/67/189857167.db2.gz HDOYFYMTMSSJSO-GJZGRUSLSA-N 2 0 283.460 2.132 10 0 CEAERP C[C@@H]1C[C@H]1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262029395 371803534 /nfs/dbraw/zinc/80/35/34/371803534.db2.gz XAFVLDDHMUZTSN-ILXRZTDVSA-N 2 0 288.439 2.020 10 0 CEAERP CC[NH+]1CCC(N(C)c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408860 184671596 /nfs/dbraw/zinc/67/15/96/184671596.db2.gz DLYUBCHXQWRZEH-UHFFFAOYSA-N 2 0 278.375 2.030 10 0 CEAERP OC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461785 184678179 /nfs/dbraw/zinc/67/81/79/184678179.db2.gz IVICMZLOQWQSDA-BPKGMFCQSA-N 2 0 280.456 2.295 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000132037467 285268811 /nfs/dbraw/zinc/26/88/11/285268811.db2.gz JYYMZFJPKPVCIS-VBNZEHGJSA-N 2 0 259.397 2.205 10 0 CEAERP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](C)CCC(C)C ZINC000093617906 184696576 /nfs/dbraw/zinc/69/65/76/184696576.db2.gz PKRFIWQIXHUFSV-HOTGVXAUSA-N 2 0 270.461 2.495 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](C)CCC(C)C ZINC000093617905 184696734 /nfs/dbraw/zinc/69/67/34/184696734.db2.gz PKRFIWQIXHUFSV-HZPDHXFCSA-N 2 0 270.461 2.495 10 0 CEAERP CC(C)(C)C1CC[NH+]([C@@H]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000093780926 184720401 /nfs/dbraw/zinc/72/04/01/184720401.db2.gz MKVPYBFWCKBJSZ-GDBMZVCRSA-N 2 0 268.445 2.377 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000094439380 184799704 /nfs/dbraw/zinc/79/97/04/184799704.db2.gz YZZBFUOIZMKGNY-BZUAXINKSA-N 2 0 265.445 2.077 10 0 CEAERP [NH3+]CCCOC1CC[NH+]([C@@H]2CCOc3ccccc32)CC1 ZINC000094070557 184753593 /nfs/dbraw/zinc/75/35/93/184753593.db2.gz NRRYBBGITGLKOS-MRXNPFEDSA-N 2 0 290.407 2.340 10 0 CEAERP C[C@]1(C[NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCCO1 ZINC000094804426 184868960 /nfs/dbraw/zinc/86/89/60/184868960.db2.gz GICYXNQJJPXBCO-QGZVFWFLSA-N 2 0 288.435 2.467 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN2CC[C@H]([NH+](C)C)C2)cc1F ZINC000094840950 184877537 /nfs/dbraw/zinc/87/75/37/184877537.db2.gz YMLHOJLFCQDXCJ-GOEBONIOSA-N 2 0 279.403 2.160 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CSCC[NH+](C)C)cc1 ZINC000095021718 184917403 /nfs/dbraw/zinc/91/74/03/184917403.db2.gz BIPMNECRNUGDPI-AWEZNQCLSA-N 2 0 268.426 2.380 10 0 CEAERP CC[C@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000087535239 135050250 /nfs/dbraw/zinc/05/02/50/135050250.db2.gz CNXHNEPOMCATLH-OAHLLOKOSA-N 2 0 261.413 2.102 10 0 CEAERP C[C@H]([NH3+])c1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091393431 135068418 /nfs/dbraw/zinc/06/84/18/135068418.db2.gz BDSZXBYGUQENAK-WCQYABFASA-N 2 0 265.376 2.376 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208962 135076245 /nfs/dbraw/zinc/07/62/45/135076245.db2.gz ICNRQDPZXQLCJF-ZFWWWQNUSA-N 2 0 291.826 2.365 10 0 CEAERP c1ccc2c(NCCC3CC[NH2+]CC3)cc[nH+]c2c1 ZINC000650311776 400868320 /nfs/dbraw/zinc/86/83/20/400868320.db2.gz ADSOSBGUPWPXBX-UHFFFAOYSA-N 2 0 255.365 2.458 10 0 CEAERP CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263263054 154044521 /nfs/dbraw/zinc/04/45/21/154044521.db2.gz REXYOWYEQXLPJA-VNCIIQTRSA-N 2 0 288.435 2.057 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCCC1 ZINC000178683894 165252622 /nfs/dbraw/zinc/25/26/22/165252622.db2.gz OQVJFWFAABGGRW-OAHLLOKOSA-N 2 0 295.471 2.275 10 0 CEAERP [NH3+]CC[C@@H](COc1cccc(F)c1)[NH+]1CCCC1 ZINC000020401975 171182094 /nfs/dbraw/zinc/18/20/94/171182094.db2.gz CKVPTHOJKHSSET-ZDUSSCGKSA-N 2 0 252.333 2.018 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH3+])(N1CCCCCCC1)C2 ZINC000020524109 171237279 /nfs/dbraw/zinc/23/72/79/171237279.db2.gz MJLCHIXIXMUGAZ-XYPWUTKMSA-N 2 0 265.445 2.207 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCCC[NH+]2CCCC2)C1 ZINC000037220932 173039300 /nfs/dbraw/zinc/03/93/00/173039300.db2.gz UFJDXRYPPVBFDC-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C(C)C)N(C)C)CC1 ZINC000037221293 173040512 /nfs/dbraw/zinc/04/05/12/173040512.db2.gz GBANVVFNLYCVKY-ZBFHGGJFSA-N 2 0 269.477 2.283 10 0 CEAERP c1cn(CCC[NH2+]C2CC[NH2+]CC2)c2ccccc12 ZINC000038040758 174041068 /nfs/dbraw/zinc/04/10/68/174041068.db2.gz JLAZNLINJRYFJO-UHFFFAOYSA-N 2 0 257.381 2.373 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000040593371 174347627 /nfs/dbraw/zinc/34/76/27/174347627.db2.gz DEYUVOUQGMRMBN-RHSMWYFYSA-N 2 0 258.409 2.475 10 0 CEAERP CC[C@H](C)[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693721 174377898 /nfs/dbraw/zinc/37/78/98/174377898.db2.gz LXLZSFPARDRJRS-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@]([NH3+])(CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000040694484 174378387 /nfs/dbraw/zinc/37/83/87/174378387.db2.gz RTEUHWZNNPDHDK-INIZCTEOSA-N 2 0 265.445 2.064 10 0 CEAERP COc1cc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1O ZINC000040748999 174393505 /nfs/dbraw/zinc/39/35/05/174393505.db2.gz TWHXRRNJBVAVDO-HLVVYCRESA-N 2 0 276.380 2.416 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCOc2ccccc21 ZINC000040749362 174393833 /nfs/dbraw/zinc/39/38/33/174393833.db2.gz KAQCICTZKBNYLD-VYHDIPPYSA-N 2 0 258.365 2.464 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)C[C@@H]12 ZINC000312675134 414865955 /nfs/dbraw/zinc/86/59/55/414865955.db2.gz JRDDHWROQHMFOG-OCVGTWLNSA-N 2 0 272.392 2.222 10 0 CEAERP Cc1ncc(CN[C@H](C[NH+](C)C)c2ccccc2)n1C ZINC000657298476 414844008 /nfs/dbraw/zinc/84/40/08/414844008.db2.gz VLYJAJRZNKZKNN-MRXNPFEDSA-N 2 0 272.396 2.121 10 0 CEAERP Cc1cc2c(n1CC1CC[NH+](C)CC1)CCC[C@@H]2[NH3+] ZINC000041722067 174617933 /nfs/dbraw/zinc/61/79/33/174617933.db2.gz KCVKYYVZCGTWKL-HNNXBMFYSA-N 2 0 261.413 2.474 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334455 175010288 /nfs/dbraw/zinc/01/02/88/175010288.db2.gz JZPXRGMXFKWWLM-UKRRQHHQSA-N 2 0 265.401 2.084 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335714 175011413 /nfs/dbraw/zinc/01/14/13/175011413.db2.gz YJALSJBINKGDEM-TZMCWYRMSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](CC)CC1 ZINC000043805903 175108262 /nfs/dbraw/zinc/10/82/62/175108262.db2.gz FHTAAPAKZPQGHK-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810462 175109645 /nfs/dbraw/zinc/10/96/45/175109645.db2.gz UDCSXEBFCHPGGX-KSZLIROESA-N 2 0 287.451 2.158 10 0 CEAERP CCc1ccc([C@@H]([NH2+]C)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000043810631 175109802 /nfs/dbraw/zinc/10/98/02/175109802.db2.gz MHFCEGQPCCIJMD-YOEHRIQHSA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897191 175119854 /nfs/dbraw/zinc/11/98/54/175119854.db2.gz IJNPSYUXCVISCI-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897062 175119981 /nfs/dbraw/zinc/11/99/81/175119981.db2.gz SQQQYMDFPPJUKM-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897010 175119997 /nfs/dbraw/zinc/11/99/97/175119997.db2.gz FIHKGXYIQWPHAI-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1C ZINC000043897305 175120150 /nfs/dbraw/zinc/12/01/50/175120150.db2.gz KGAQJCKXEPDLET-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965737 175127069 /nfs/dbraw/zinc/12/70/69/175127069.db2.gz RWGKJIYOAAQADZ-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967922 175128878 /nfs/dbraw/zinc/12/88/78/175128878.db2.gz CSULSQHHWBWVLF-PVAVHDDUSA-N 2 0 279.472 2.181 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967656 175129088 /nfs/dbraw/zinc/12/90/88/175129088.db2.gz IFXUDEURWCELPB-QGZVFWFLSA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@@H]1CSC(NC[C@H](C)[NH+]2CCCCC2)=[NH+]1 ZINC000045005853 175288086 /nfs/dbraw/zinc/28/80/86/175288086.db2.gz DSIZFWPIHCXGPR-NWDGAFQWSA-N 2 0 255.431 2.332 10 0 CEAERP C[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073294 175302827 /nfs/dbraw/zinc/30/28/27/175302827.db2.gz MBYNEDQKLHTXTI-ZNMIVQPWSA-N 2 0 252.402 2.018 10 0 CEAERP CC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCCC1)C(N)=O ZINC000045372448 175364981 /nfs/dbraw/zinc/36/49/81/175364981.db2.gz NZINGGDKVCPFBJ-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)CC(C)C ZINC000045381667 175370117 /nfs/dbraw/zinc/37/01/17/175370117.db2.gz PPFNNOGGCQLEJN-HNNXBMFYSA-N 2 0 272.433 2.415 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](CCC)C1CC1)C(N)=O ZINC000045387474 175372976 /nfs/dbraw/zinc/37/29/76/175372976.db2.gz AJPLCGPGLJUPAW-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CCCCC[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045388195 175374244 /nfs/dbraw/zinc/37/42/44/175374244.db2.gz JFKFLSDRFLLXEU-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)CCC)C(N)=O ZINC000045394775 175376024 /nfs/dbraw/zinc/37/60/24/175376024.db2.gz MJTLJWXEYGDXGY-ZFWWWQNUSA-N 2 0 271.449 2.131 10 0 CEAERP CO[C@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000665283814 415671787 /nfs/dbraw/zinc/67/17/87/415671787.db2.gz VOFGIGPLPDKERA-YMAMQOFZSA-N 2 0 254.418 2.441 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071090936 176031070 /nfs/dbraw/zinc/03/10/70/176031070.db2.gz CYIRYGXIULWZLK-XJKSGUPXSA-N 2 0 262.397 2.230 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071091561 176031875 /nfs/dbraw/zinc/03/18/75/176031875.db2.gz AAYAHVCXUIUNBZ-KRWDZBQOSA-N 2 0 274.408 2.361 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124168 176035482 /nfs/dbraw/zinc/03/54/82/176035482.db2.gz MESIQKMBIZHTJN-JYJNAYRXSA-N 2 0 286.460 2.267 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000071162115 176046659 /nfs/dbraw/zinc/04/66/59/176046659.db2.gz HIHZWAVPTGNBJV-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071188364 176062705 /nfs/dbraw/zinc/06/27/05/176062705.db2.gz UCPMWAWXWQIMKD-TZMCWYRMSA-N 2 0 281.469 2.194 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188111 176063190 /nfs/dbraw/zinc/06/31/90/176063190.db2.gz XZXUBOSTVLIFFA-IOASZLSFSA-N 2 0 279.403 2.098 10 0 CEAERP CCc1ccc([C@H](CN(C)C[C@@H]2CC[N@H+](C)C2)[NH2+]C)cc1 ZINC000071188879 176063715 /nfs/dbraw/zinc/06/37/15/176063715.db2.gz YCODJUBLXKOXHE-AEFFLSMTSA-N 2 0 289.467 2.393 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188696 176063980 /nfs/dbraw/zinc/06/39/80/176063980.db2.gz UKPQMUWWKCLIGK-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189004 176064858 /nfs/dbraw/zinc/06/48/58/176064858.db2.gz SHDZSXLJPIVJBK-LVQVYYBASA-N 2 0 267.461 2.037 10 0 CEAERP C[C@@H](C[NH2+]Cc1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192300 176073836 /nfs/dbraw/zinc/07/38/36/176073836.db2.gz DIDVEWUSXFDSOR-UONOGXRCSA-N 2 0 281.469 2.110 10 0 CEAERP CCCC[C@H](CC)C[N@H+](CCOC)CCC(N)=[NH2+] ZINC000071229036 176091371 /nfs/dbraw/zinc/09/13/71/176091371.db2.gz KUHQGWZRETZIFH-ZDUSSCGKSA-N 2 0 257.422 2.477 10 0 CEAERP CC[N@H+](Cc1ccc(F)cc1C[NH3+])[C@H](C)COC ZINC000071263532 176096710 /nfs/dbraw/zinc/09/67/10/176096710.db2.gz YEUNFPXOTJVILG-LLVKDONJSA-N 2 0 254.349 2.141 10 0 CEAERP COCC[N@@H+](Cc1ccc(F)cc1C(N)=[NH2+])CC(C)C ZINC000071267853 176101776 /nfs/dbraw/zinc/10/17/76/176101776.db2.gz SEPVEQHHZHWTPC-UHFFFAOYSA-N 2 0 281.375 2.214 10 0 CEAERP C[NH2+]CCCCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000071289707 176110201 /nfs/dbraw/zinc/11/02/01/176110201.db2.gz QKBPWEZFMKGCGP-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCCCC[NH2+]C)CC1 ZINC000071289793 176110460 /nfs/dbraw/zinc/11/04/60/176110460.db2.gz JBERNBRDPODAHH-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](CCOC)[C@H](C)COC ZINC000071289733 176110777 /nfs/dbraw/zinc/11/07/77/176110777.db2.gz SIZJDCXFACIBSX-OAHLLOKOSA-N 2 0 274.449 2.140 10 0 CEAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)c(Cl)c1 ZINC000076663550 177049851 /nfs/dbraw/zinc/04/98/51/177049851.db2.gz DPOWRIFHZYLOOB-JTQLQIEISA-N 2 0 256.777 2.343 10 0 CEAERP CCC[C@H](CC[NH3+])CCC[NH+](CCOC)CCOC ZINC000079256783 177459733 /nfs/dbraw/zinc/45/97/33/177459733.db2.gz YAYUJLDKZZKZKB-HNNXBMFYSA-N 2 0 274.449 2.127 10 0 CEAERP CN(CC[NH+]1CCCC1)C1(C[NH3+])CCC(C)(C)CC1 ZINC000079656134 177531076 /nfs/dbraw/zinc/53/10/76/177531076.db2.gz ZBLWNKALVGINAC-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000079672868 177534588 /nfs/dbraw/zinc/53/45/88/177534588.db2.gz CPMBKWRXPOFQAI-JKSUJKDBSA-N 2 0 281.488 2.428 10 0 CEAERP CC1(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000311212417 276118095 /nfs/dbraw/zinc/11/80/95/276118095.db2.gz LMMDZWMMLJLHSD-KBPBESRZSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557573 278242274 /nfs/dbraw/zinc/24/22/74/278242274.db2.gz XMCRTDJXMPLETH-DOTOQJQBSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC(C)(C)C1 ZINC000131389530 279955719 /nfs/dbraw/zinc/95/57/19/279955719.db2.gz MJCOYVYJNOHFPR-NFAWXSAZSA-N 2 0 256.434 2.103 10 0 CEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000246505820 280297825 /nfs/dbraw/zinc/29/78/25/280297825.db2.gz SIXCDIGAVJWVGN-SUJAAXHWSA-N 2 0 295.471 2.093 10 0 CEAERP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000124260193 290144524 /nfs/dbraw/zinc/14/45/24/290144524.db2.gz OVRYNKHTZIVBCE-JKSUJKDBSA-N 2 0 268.445 2.488 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000261569613 298877964 /nfs/dbraw/zinc/87/79/64/298877964.db2.gz NBGFGIVRPXWZMQ-WCVJEAGWSA-N 2 0 268.445 2.438 10 0 CEAERP C[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219033 314253476 /nfs/dbraw/zinc/25/34/76/314253476.db2.gz UUAIHGDLDFVKIB-OWCLPIDISA-N 2 0 267.461 2.086 10 0 CEAERP C[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219034 314253845 /nfs/dbraw/zinc/25/38/45/314253845.db2.gz UUAIHGDLDFVKIB-PMPSAXMXSA-N 2 0 267.461 2.086 10 0 CEAERP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000581005708 322361356 /nfs/dbraw/zinc/36/13/56/322361356.db2.gz CVMUHJQPUZCQND-CVEARBPZSA-N 2 0 267.461 2.086 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540313 519720707 /nfs/dbraw/zinc/72/07/07/519720707.db2.gz RUPKBFZZPBALFU-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]CC1(CN2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000062969947 519720182 /nfs/dbraw/zinc/72/01/82/519720182.db2.gz CDDMMKYJCIOJTF-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654414 519730140 /nfs/dbraw/zinc/73/01/40/519730140.db2.gz HSYVPZUFHHYPQX-OAHLLOKOSA-N 2 0 279.428 2.304 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511045 519927206 /nfs/dbraw/zinc/92/72/06/519927206.db2.gz UXHSDDSQMQUECK-HRCADAONSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074828 519929192 /nfs/dbraw/zinc/92/91/92/519929192.db2.gz RKVMGVQJAKGBPO-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456351 519950334 /nfs/dbraw/zinc/95/03/34/519950334.db2.gz BVKVGVLMPYIJGR-STQMWFEESA-N 2 0 268.426 2.337 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](CC)CCOC ZINC000052542663 519960186 /nfs/dbraw/zinc/96/01/86/519960186.db2.gz ZXARIFHXBPTAHN-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CC)CCOC)c(C)o1 ZINC000052542794 519986471 /nfs/dbraw/zinc/98/64/71/519986471.db2.gz IRNSERZNKODKPX-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]Cc1coc(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055082900 520016852 /nfs/dbraw/zinc/01/68/52/520016852.db2.gz PEHGLCPMAGPFOB-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1CC ZINC000054998301 520032945 /nfs/dbraw/zinc/03/29/45/520032945.db2.gz WBXPTFYPZFDTTA-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763401 521969097 /nfs/dbraw/zinc/96/90/97/521969097.db2.gz IYNCUDKUNFENBA-OAHLLOKOSA-N 2 0 268.445 2.393 10 0 CEAERP CC(C)[NH+]1CCN(CC[NH2+]C2CCCCCC2)CC1 ZINC000053341925 519682481 /nfs/dbraw/zinc/68/24/81/519682481.db2.gz UGLLWGBBCBGDHE-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479264 519723574 /nfs/dbraw/zinc/72/35/74/519723574.db2.gz ISKMJSLRWQIXHL-QEJZJMRPSA-N 2 0 254.418 2.262 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515158 519724296 /nfs/dbraw/zinc/72/42/96/519724296.db2.gz CLDLSLDEYBFEFI-MRXNPFEDSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905586 519748408 /nfs/dbraw/zinc/74/84/08/519748408.db2.gz BWGAGBYEGYBZTN-CYBMUJFWSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)C[NH2+]Cc1occc1COCCC[NH+](C)C ZINC000052672698 519749413 /nfs/dbraw/zinc/74/94/13/519749413.db2.gz CQVRVDQMODRYEQ-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205965 519814500 /nfs/dbraw/zinc/81/45/00/519814500.db2.gz RIQSVBVMTPUGLX-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553828 519853411 /nfs/dbraw/zinc/85/34/11/519853411.db2.gz XFRBTMPTTWEHHT-XHSDSOJGSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH+]1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052422130 519859484 /nfs/dbraw/zinc/85/94/84/519859484.db2.gz LKFYWNBWEDTDEM-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061291149 519906027 /nfs/dbraw/zinc/90/60/27/519906027.db2.gz NNNZNJRMUGSOST-UHFFFAOYSA-N 2 0 293.411 2.083 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763422 519910918 /nfs/dbraw/zinc/91/09/18/519910918.db2.gz JCGTYNNPWPYLOG-MRXNPFEDSA-N 2 0 298.471 2.020 10 0 CEAERP CCC[NH2+]CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000048784591 519913018 /nfs/dbraw/zinc/91/30/18/519913018.db2.gz PTPMSQACCHEKAR-UHFFFAOYSA-N 2 0 267.461 2.326 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972413 519932187 /nfs/dbraw/zinc/93/21/87/519932187.db2.gz HUYFEYDXROHDCL-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541465 519952506 /nfs/dbraw/zinc/95/25/06/519952506.db2.gz BLWPUWHVKPVCEF-LSDHHAIUSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484189 519969975 /nfs/dbraw/zinc/96/99/75/519969975.db2.gz ILUUODMWCORQJQ-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+]C[C@H](CC)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417094 519971392 /nfs/dbraw/zinc/97/13/92/519971392.db2.gz FSSQWLXMWCIYPM-KRWDZBQOSA-N 2 0 275.440 2.192 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(OC)c2)O1 ZINC000052372966 519976882 /nfs/dbraw/zinc/97/68/82/519976882.db2.gz IAXSECKVRLTCER-SJORKVTESA-N 2 0 292.423 2.284 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572308 520003363 /nfs/dbraw/zinc/00/33/63/520003363.db2.gz IDSAREJBJLDUCG-HNNXBMFYSA-N 2 0 294.439 2.279 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCOCC1(C)C ZINC000052546211 520007834 /nfs/dbraw/zinc/00/78/34/520007834.db2.gz KHOKPNBHSHYKKI-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1nc(C(C)C)ncc1OCC[NH+](CC)CC ZINC000051549240 520019898 /nfs/dbraw/zinc/01/98/98/520019898.db2.gz MMNUMEWAHGDLFP-UHFFFAOYSA-N 2 0 294.443 2.430 10 0 CEAERP CCC[NH2+][C@H](CC)CN1CC[NH+](CC(C)C)CC1 ZINC000055078685 520066825 /nfs/dbraw/zinc/06/68/25/520066825.db2.gz KKIRGXMFUGRFOH-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978930 520082076 /nfs/dbraw/zinc/08/20/76/520082076.db2.gz RMLSYMHIQBCXGM-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643761 520092046 /nfs/dbraw/zinc/09/20/46/520092046.db2.gz CUUCVROYUXTJIQ-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1COc2cc(OCC[NH+](CC)CC)ccc21 ZINC000062804937 520124243 /nfs/dbraw/zinc/12/42/43/520124243.db2.gz PVHITPUQCFVQJE-OAHLLOKOSA-N 2 0 278.396 2.450 10 0 CEAERP CC[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061643698 520196754 /nfs/dbraw/zinc/19/67/54/520196754.db2.gz MWKGKMLGPVXVPQ-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079315 520217777 /nfs/dbraw/zinc/21/77/77/520217777.db2.gz RJGARSXDVFQNEP-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554614 520219467 /nfs/dbraw/zinc/21/94/67/520219467.db2.gz ZLPNPEDAQXLBNB-JYJNAYRXSA-N 2 0 267.461 2.037 10 0 CEAERP CCO[C@H](C[NH3+])C[N@H+](C)Cc1ccc(CC)cc1 ZINC000062739588 520518105 /nfs/dbraw/zinc/51/81/05/520518105.db2.gz KHVMMBJWIPQJAT-OAHLLOKOSA-N 2 0 250.386 2.045 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052372360 520526661 /nfs/dbraw/zinc/52/66/61/520526661.db2.gz UXSLCVXYJMNLAS-ZDUSSCGKSA-N 2 0 266.385 2.308 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655159 520666124 /nfs/dbraw/zinc/66/61/24/520666124.db2.gz ZUEPIQNCQRGCLG-QLFBSQMISA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940554 520769294 /nfs/dbraw/zinc/76/92/94/520769294.db2.gz YHIWOIKEUYWPCH-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])C1 ZINC000062978858 520848037 /nfs/dbraw/zinc/84/80/37/520848037.db2.gz SEZFWOUGDFVHNS-NXHRZFHOSA-N 2 0 287.451 2.417 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069182599 520849214 /nfs/dbraw/zinc/84/92/14/520849214.db2.gz NADFXZBRIGXEBF-GFCCVEGCSA-N 2 0 294.468 2.400 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C[C@@H](C)C[NH2+]CC(C)C)C1 ZINC000062972392 520872353 /nfs/dbraw/zinc/87/23/53/520872353.db2.gz LYJOSHIMVNMAQV-HOTGVXAUSA-N 2 0 269.477 2.284 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069381076 521121734 /nfs/dbraw/zinc/12/17/34/521121734.db2.gz PHUNAONJWLGZEF-HOTGVXAUSA-N 2 0 267.461 2.454 10 0 CEAERP CCCC[C@](CC)(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000069380468 521252427 /nfs/dbraw/zinc/25/24/27/521252427.db2.gz FWFSYTHZWYJKJP-LSDHHAIUSA-N 2 0 274.449 2.267 10 0 CEAERP CC[N@H+](Cc1ccc(C[NH2+]C)cc1)[C@@H](C)COC ZINC000052504989 521305549 /nfs/dbraw/zinc/30/55/49/521305549.db2.gz ILNLJGBRAJJHLR-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544085 521566719 /nfs/dbraw/zinc/56/67/19/521566719.db2.gz XERSEJRSUQGTKP-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625051 521567368 /nfs/dbraw/zinc/56/73/68/521567368.db2.gz JODDSCMEMACKAW-GOSISDBHSA-N 2 0 289.467 2.363 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484102 521655994 /nfs/dbraw/zinc/65/59/94/521655994.db2.gz SKUSPLCDQPEEAY-DLBZAZTESA-N 2 0 298.471 2.281 10 0 CEAERP CCCN(CC[NH+](C)C)c1cccc(Cl)c1C(N)=[NH2+] ZINC000052906033 521658586 /nfs/dbraw/zinc/65/85/86/521658586.db2.gz JRGSFGCRGCFABL-UHFFFAOYSA-N 2 0 282.819 2.402 10 0 CEAERP CC[NH+]1CCN(Cc2cccc(C[NH2+]C(C)C)c2)CC1 ZINC000052422289 521689130 /nfs/dbraw/zinc/68/91/30/521689130.db2.gz IJHLHBMQYRYRPR-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422557 521692684 /nfs/dbraw/zinc/69/26/84/521692684.db2.gz DKTQSUSPVRMKSL-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cc(C[NH3+])c2ccccc2n1 ZINC000061654329 521843208 /nfs/dbraw/zinc/84/32/08/521843208.db2.gz MVUHYANXVJQXMZ-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1ccc(C[NH2+]C2CC2)o1 ZINC000061654494 521872278 /nfs/dbraw/zinc/87/22/78/521872278.db2.gz ZYNAAXBREIVOFF-CQSZACIVSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2C)CCOCC1 ZINC000052183543 521966357 /nfs/dbraw/zinc/96/63/57/521966357.db2.gz AAJNLYFPOCUDRY-UHFFFAOYSA-N 2 0 276.424 2.443 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422933 521999122 /nfs/dbraw/zinc/99/91/22/521999122.db2.gz FTBCCCYQIPYZRF-OAHLLOKOSA-N 2 0 291.439 2.205 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485025 522092624 /nfs/dbraw/zinc/09/26/24/522092624.db2.gz XWFFBXDSHJUMJM-CABCVRRESA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCCC[C@@H]2C)O1 ZINC000052546892 522092695 /nfs/dbraw/zinc/09/26/95/522092695.db2.gz VEMNVCRUAZEMJU-LJISPDSOSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000055065584 522120583 /nfs/dbraw/zinc/12/05/83/522120583.db2.gz FFVUTUUWVDULAZ-GDBMZVCRSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064241 522128652 /nfs/dbraw/zinc/12/86/52/522128652.db2.gz SINFHTCOKHQQDG-WBVHZDCISA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055063648 522128915 /nfs/dbraw/zinc/12/89/15/522128915.db2.gz CLZQVZCDGXNQEP-OCCSQVGLSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063755 522131622 /nfs/dbraw/zinc/13/16/22/522131622.db2.gz DIHCMEBMRBONJG-INMHGKMJSA-N 2 0 275.440 2.491 10 0 CEAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052545326 522138741 /nfs/dbraw/zinc/13/87/41/522138741.db2.gz HHRIRPCOCWPQHL-GFCCVEGCSA-N 2 0 266.385 2.246 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963955 522347072 /nfs/dbraw/zinc/34/70/72/522347072.db2.gz AFKRDORCUXTELW-IHRRRGAJSA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083017 522548495 /nfs/dbraw/zinc/54/84/95/522548495.db2.gz CJEFJRWEFKEZTC-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052181845 523249945 /nfs/dbraw/zinc/24/99/45/523249945.db2.gz DHSWTLPKJHWXDD-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571022 523351075 /nfs/dbraw/zinc/35/10/75/523351075.db2.gz OAECVRKDRFGJCE-ZBFHGGJFSA-N 2 0 292.423 2.284 10 0 CEAERP CC[C@@H]1CSC(N[C@@H](CC(C)C)C[NH+](C)C)=[NH+]1 ZINC000049559155 523519091 /nfs/dbraw/zinc/51/90/91/523519091.db2.gz PDTYFUISSKAAFU-NEPJUHHUSA-N 2 0 257.447 2.434 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653496 523640609 /nfs/dbraw/zinc/64/06/09/523640609.db2.gz PYPGECKHMLAXTO-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CN(c1nc(C2CC2)c(C[NH3+])s1)C1CC[NH+](C)CC1 ZINC000069146573 523664759 /nfs/dbraw/zinc/66/47/59/523664759.db2.gz YLCDCSBAZOQLRK-UHFFFAOYSA-N 2 0 280.441 2.010 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000055071834 523955268 /nfs/dbraw/zinc/95/52/68/523955268.db2.gz JQEBBDYRKQWXAV-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000062702699 523962994 /nfs/dbraw/zinc/96/29/94/523962994.db2.gz YCWSGZKBXYQGLA-NSHDSACASA-N 2 0 299.212 2.196 10 0 CEAERP C[NH+](C)C1CCN(Cc2ccoc2C[NH2+]C2CC2)CC1 ZINC000052477661 524040289 /nfs/dbraw/zinc/04/02/89/524040289.db2.gz LBTZXNFREVYPON-UHFFFAOYSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016912 524050199 /nfs/dbraw/zinc/05/01/99/524050199.db2.gz BLRKMXHVEPXSME-QGZVFWFLSA-N 3 0 275.440 2.350 10 0 CEAERP C[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125540 524126812 /nfs/dbraw/zinc/12/68/12/524126812.db2.gz JEGDVSPHMBXHHZ-CAOSSQGBSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761440 524389592 /nfs/dbraw/zinc/38/95/92/524389592.db2.gz RXXXFFUJXYWPSB-YPMHNXCESA-N 2 0 260.385 2.376 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N(C)CC[NH+]1CCCC1 ZINC000063054095 524496777 /nfs/dbraw/zinc/49/67/77/524496777.db2.gz AYVCUAKNNWVPEA-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@H](Cn1c(N)[nH+]c2cc(F)ccc21)C[NH+]1CCCC1 ZINC000062079837 524588288 /nfs/dbraw/zinc/58/82/88/524588288.db2.gz SBRCMVMIHIWYBB-NSHDSACASA-N 2 0 276.359 2.490 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049189693 524866145 /nfs/dbraw/zinc/86/61/45/524866145.db2.gz WOSSZXIXGWROND-STQMWFEESA-N 2 0 290.411 2.312 10 0 CEAERP C[C@H]([NH3+])c1cnc(N2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000062037741 524869034 /nfs/dbraw/zinc/86/90/34/524869034.db2.gz RAKYPMHGNFDTJH-LBPRGKRZSA-N 2 0 294.468 2.475 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN(C)CC[NH+]1CCCC1 ZINC000063053630 525423151 /nfs/dbraw/zinc/42/31/51/525423151.db2.gz JALIUIIWRXEBDJ-QGZVFWFLSA-N 2 0 275.440 2.413 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641911 525785274 /nfs/dbraw/zinc/78/52/74/525785274.db2.gz KZQZKWCBCAFNKA-DJIMGWMZSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC[NH+]2CCCC2)o1 ZINC000063050745 525785806 /nfs/dbraw/zinc/78/58/06/525785806.db2.gz QYLKSNYZDFTMKG-UKRRQHHQSA-N 2 0 265.401 2.004 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642203 525889181 /nfs/dbraw/zinc/88/91/81/525889181.db2.gz OYNGRIKWTPURLV-OLZOCXBDSA-N 2 0 267.442 2.082 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061642034 525951559 /nfs/dbraw/zinc/95/15/59/525951559.db2.gz CMHABELPYZJDAR-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684848 525961523 /nfs/dbraw/zinc/96/15/23/525961523.db2.gz FFYVNILILIJHOV-WMLDXEAASA-N 2 0 275.440 2.409 10 0 CEAERP C[NH2+]Cc1c(C)cc(C)nc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094443170 536468781 /nfs/dbraw/zinc/46/87/81/536468781.db2.gz MMNDUQUCLOOMMS-OAHLLOKOSA-N 2 0 288.439 2.092 10 0 CEAERP Cc1oc(C[NH2+]CC(C)C)cc1CN1CCC[N@H+](C)CC1 ZINC000052424404 526775201 /nfs/dbraw/zinc/77/52/01/526775201.db2.gz LPNWLCFFNHHAGR-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP Cc1oc(COCC[NH+](C)C)cc1C[NH2+]CC(C)C ZINC000052669557 526775389 /nfs/dbraw/zinc/77/53/89/526775389.db2.gz UZIJMGIQXRVXKS-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP NC(=[NH2+])c1ccccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980675 526824140 /nfs/dbraw/zinc/82/41/40/526824140.db2.gz HRKIIWLNTJPIQM-HNNXBMFYSA-N 2 0 286.423 2.031 10 0 CEAERP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1[C@@H](C)[NH3+] ZINC000061655473 526966239 /nfs/dbraw/zinc/96/62/39/526966239.db2.gz OOLWNUYCXRKNGX-MWLCHTKSSA-N 2 0 268.430 2.002 10 0 CEAERP [NH3+]C[C@]1(N2CCC([NH+]3CCCCC3)CC2)CCCSC1 ZINC000061590106 527243641 /nfs/dbraw/zinc/24/36/41/527243641.db2.gz UXPCJGPKLVEHRJ-MRXNPFEDSA-N 2 0 297.512 2.161 10 0 CEAERP [NH3+]Cc1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000050514201 527260616 /nfs/dbraw/zinc/26/06/16/527260616.db2.gz ZSBRBDQJTWZMQI-UHFFFAOYSA-N 2 0 270.376 2.140 10 0 CEAERP [NH3+][C@H](CCN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000062970555 527385554 /nfs/dbraw/zinc/38/55/54/527385554.db2.gz CVHXTLWZGKALQO-DLBZAZTESA-N 2 0 273.424 2.247 10 0 CEAERP CC(C)[C@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149857 574510678 /nfs/dbraw/zinc/51/06/78/574510678.db2.gz OSVDQWZTDITUQA-UKRRQHHQSA-N 2 0 254.418 2.469 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000124002044 623557883 /nfs/dbraw/zinc/55/78/83/623557883.db2.gz HYSKUNUHGWWSTR-RHSMWYFYSA-N 2 0 285.435 2.001 10 0 CEAERP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000312122719 628135482 /nfs/dbraw/zinc/13/54/82/628135482.db2.gz WQLGIDZYVFRQFF-SOUVJXGZSA-N 2 0 286.485 2.097 10 0 CEAERP CC(C)C[NH+]1CCC2(C[NH2+]C[C@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183298 631829962 /nfs/dbraw/zinc/82/99/62/631829962.db2.gz AWIFWKUKURQEEF-AWEZNQCLSA-N 2 0 296.455 2.286 10 0 CEAERP CC/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067879527 641350570 /nfs/dbraw/zinc/35/05/70/641350570.db2.gz UERRTPYFPMBVNY-HVJNQHDOSA-N 2 0 293.455 2.052 10 0 CEAERP COc1ccccc1N1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000034400825 361789186 /nfs/dbraw/zinc/78/91/86/361789186.db2.gz ACPZQKHHFKJDSA-UHFFFAOYSA-N 2 0 289.423 2.087 10 0 CEAERP CC(C)CC[N@H+](CCCC[C@](C)(O)C[NH3+])C1CC1 ZINC000096837355 185116450 /nfs/dbraw/zinc/11/64/50/185116450.db2.gz XXHSDPDGNACKDS-HNNXBMFYSA-N 2 0 256.434 2.377 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595553 539185553 /nfs/dbraw/zinc/18/55/53/539185553.db2.gz OGWXFPJXXIFMDJ-RRFJBIMHSA-N 2 0 260.381 2.173 10 0 CEAERP C[N@H+]([C@@H]1C[C@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264544 539212877 /nfs/dbraw/zinc/21/28/77/539212877.db2.gz URQOCWJRGDULTF-UONOGXRCSA-N 2 0 252.402 2.147 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000142158223 344402727 /nfs/dbraw/zinc/40/27/27/344402727.db2.gz PYGMRJTTXXNXLO-SWLSCSKDSA-N 2 0 277.387 2.125 10 0 CEAERP O[C@H](C[NH2+]C1CCCCCC1)C[NH+]1CCCCC1 ZINC000311085839 344732653 /nfs/dbraw/zinc/73/26/53/344732653.db2.gz XPXOKVOCSNBURM-OAHLLOKOSA-N 2 0 254.418 2.146 10 0 CEAERP O[C@@H](C[NH2+]C1CCCCCC1)C[NH+]1CCCCC1 ZINC000311085837 344732820 /nfs/dbraw/zinc/73/28/20/344732820.db2.gz XPXOKVOCSNBURM-HNNXBMFYSA-N 2 0 254.418 2.146 10 0 CEAERP [NH3+]C1(CC(=O)N2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000084186011 178819519 /nfs/dbraw/zinc/81/95/19/178819519.db2.gz BBWSCSCZWPIVDM-UHFFFAOYSA-N 2 0 293.455 2.125 10 0 CEAERP CCC[NH2+][C@@H](C)C[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000084391660 178879130 /nfs/dbraw/zinc/87/91/30/178879130.db2.gz MTPMFWJUDNUYQY-ZNMIVQPWSA-N 2 0 274.449 2.136 10 0 CEAERP Cc1csc(CC[NH2+]C[C@@H]2CCCC[C@H]2[NH3+])n1 ZINC000085376868 179044472 /nfs/dbraw/zinc/04/44/72/179044472.db2.gz CYBLPMBIYUNXIH-NWDGAFQWSA-N 2 0 253.415 2.101 10 0 CEAERP CC[NH+](CC)C[C@H](C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573194 179098560 /nfs/dbraw/zinc/09/85/60/179098560.db2.gz HWCLORBVIPDTJD-LBPRGKRZSA-N 2 0 276.428 2.309 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623652 179105256 /nfs/dbraw/zinc/10/52/56/179105256.db2.gz QXZNDYIPUPRXBK-XJKSGUPXSA-N 2 0 276.428 2.044 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621146 179106196 /nfs/dbraw/zinc/10/61/96/179106196.db2.gz LTNPMOWCLMKRGI-CABCVRRESA-N 2 0 266.429 2.410 10 0 CEAERP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C12CCCC2 ZINC000085679941 179113198 /nfs/dbraw/zinc/11/31/98/179113198.db2.gz IHHQJRGRZPFNTB-ZNMIVQPWSA-N 2 0 266.429 2.266 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085973014 179207283 /nfs/dbraw/zinc/20/72/83/179207283.db2.gz ABLANVDGBDXWMY-KBMXLJTQSA-N 2 0 268.445 2.248 10 0 CEAERP CC[C@](C[NH3+])(C1CC1)N(CC[NH+](C)C)CC(C)C ZINC000086120492 179234620 /nfs/dbraw/zinc/23/46/20/179234620.db2.gz ODMVEDQQGCJARV-HNNXBMFYSA-N 2 0 255.450 2.024 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](CC)C[NH2+]1 ZINC000086152527 179240533 /nfs/dbraw/zinc/24/05/33/179240533.db2.gz FFUDOIQCPHCQCP-QSPRXWTASA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086171858 179243506 /nfs/dbraw/zinc/24/35/06/179243506.db2.gz LWLOSSPDDDOWHS-XUWVNRHRSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086172121 179244963 /nfs/dbraw/zinc/24/49/63/179244963.db2.gz BPWNBHVDIQHWJK-OAGGEKHMSA-N 2 0 267.461 2.035 10 0 CEAERP CC[NH+]1CCC(CN2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000086177550 179246679 /nfs/dbraw/zinc/24/66/79/179246679.db2.gz HGXNQDMPMYQZTA-SFHVURJKSA-N 2 0 287.451 2.365 10 0 CEAERP CC[C@]1(C)CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182514 179248186 /nfs/dbraw/zinc/24/81/86/179248186.db2.gz PLNOWBBZXJQSSM-GVDBMIGSSA-N 2 0 279.472 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217789 179249460 /nfs/dbraw/zinc/24/94/60/179249460.db2.gz UPWHDWVSAKXAKM-RHSMWYFYSA-N 2 0 273.424 2.116 10 0 CEAERP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223181 179251905 /nfs/dbraw/zinc/25/19/05/179251905.db2.gz ACMYABMKFUEBPO-HZPDHXFCSA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227532 179254723 /nfs/dbraw/zinc/25/47/23/179254723.db2.gz GXHDLPUHTOOTLL-BHYGNILZSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182590 179247857 /nfs/dbraw/zinc/24/78/57/179247857.db2.gz ODYSDKZAQFTGOT-JCGIZDLHSA-N 2 0 291.483 2.323 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259229 179258116 /nfs/dbraw/zinc/25/81/16/179258116.db2.gz SOYSJAVPAJWXBN-CABCVRRESA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259217 179258452 /nfs/dbraw/zinc/25/84/52/179258452.db2.gz MYPFLPHGAWYLNW-OAGGEKHMSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259341 179258478 /nfs/dbraw/zinc/25/84/78/179258478.db2.gz RZVUWVANHKMODE-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)[C@@H](CC)CN1 ZINC000086259182 179258572 /nfs/dbraw/zinc/25/85/72/179258572.db2.gz PZKVMVMFVBJFJP-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+]C3(CCCC3)C2)CC1 ZINC000086290268 179265464 /nfs/dbraw/zinc/26/54/64/179265464.db2.gz XBDOIHRLRHVQIX-UHFFFAOYSA-N 2 0 279.472 2.469 10 0 CEAERP CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261064 179260064 /nfs/dbraw/zinc/26/00/64/179260064.db2.gz LDCLFJYJWFZDJN-HZPDHXFCSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260735 179260494 /nfs/dbraw/zinc/26/04/94/179260494.db2.gz ASKZXNSRNVONQU-CVEARBPZSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290457 179265479 /nfs/dbraw/zinc/26/54/79/179265479.db2.gz NCMGODXOFYGGGZ-KKUMJFAQSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287084 179264724 /nfs/dbraw/zinc/26/47/24/179264724.db2.gz GFMRCZKLCPPUPS-QPSCCSFWSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288765 179264811 /nfs/dbraw/zinc/26/48/11/179264811.db2.gz OZQFRHJIOZDSNF-INIZCTEOSA-N 2 0 259.397 2.088 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086288662 179264896 /nfs/dbraw/zinc/26/48/96/179264896.db2.gz GRYZHYVUWIYECD-XHSDSOJGSA-N 2 0 267.461 2.038 10 0 CEAERP CCC1(CC)C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288748 179265017 /nfs/dbraw/zinc/26/50/17/179265017.db2.gz HIPQJNMNERTPNO-UHFFFAOYSA-N 2 0 261.413 2.478 10 0 CEAERP CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259009 179256423 /nfs/dbraw/zinc/25/64/23/179256423.db2.gz JDZGONGKYRXWRD-HOTGVXAUSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCC[NH2+]C3(CCCC3)C2)CC1 ZINC000086291521 179266455 /nfs/dbraw/zinc/26/64/55/179266455.db2.gz XWVUADHHSQAZLH-UHFFFAOYSA-N 3 0 279.472 2.326 10 0 CEAERP CO[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+][C@@H](CC(C)C)C1 ZINC000086293517 179267963 /nfs/dbraw/zinc/26/79/63/179267963.db2.gz YSVDFYUKRGOZQL-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](COC)C(C)C)C[C@@H]1C ZINC000086701583 179321640 /nfs/dbraw/zinc/32/16/40/179321640.db2.gz HMJZIHROSKUAQX-ZNMIVQPWSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847373 179356056 /nfs/dbraw/zinc/35/60/56/179356056.db2.gz HQOGJTHPXVTGKG-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848963 179357845 /nfs/dbraw/zinc/35/78/45/179357845.db2.gz LGKBTLYMWVPZSW-KRWDZBQOSA-N 2 0 279.472 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848899 179357502 /nfs/dbraw/zinc/35/75/02/179357502.db2.gz ABLBTGWGTRIJCY-QLFBSQMISA-N 2 0 285.501 2.016 10 0 CEAERP CCN(C(C)C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846702 179354339 /nfs/dbraw/zinc/35/43/39/179354339.db2.gz WRFQBZLZIQNIGL-OAHLLOKOSA-N 2 0 255.450 2.309 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846132 179355696 /nfs/dbraw/zinc/35/56/96/179355696.db2.gz NLXBATPBSAKLKI-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868232 179360381 /nfs/dbraw/zinc/36/03/81/179360381.db2.gz YRUNYKAQJAZGOX-OAHLLOKOSA-N 2 0 254.418 2.144 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000086850785 179358105 /nfs/dbraw/zinc/35/81/05/179358105.db2.gz RGDMNFABNSKQHI-ULQDDVLXSA-N 2 0 279.472 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850897 179358333 /nfs/dbraw/zinc/35/83/33/179358333.db2.gz DECOCIJKLLUPBV-HRCADAONSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)CC2CC2)CC1 ZINC000086848839 179358354 /nfs/dbraw/zinc/35/83/54/179358354.db2.gz ONIHANUPQONEKL-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000086913420 179367373 /nfs/dbraw/zinc/36/73/73/179367373.db2.gz WUBWHLMJNBIEHF-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920919 179367959 /nfs/dbraw/zinc/36/79/59/179367959.db2.gz IUMIFPZCPYTOBG-GJZGRUSLSA-N 2 0 254.418 2.003 10 0 CEAERP C[C@@H]1CCC[C@@](O)(C[NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000087052794 179388773 /nfs/dbraw/zinc/38/87/73/179388773.db2.gz WWZPCJDNCOMWSK-KFWWJZLASA-N 2 0 254.418 2.002 10 0 CEAERP CCC1CCC(O)(C[NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000087061566 179389407 /nfs/dbraw/zinc/38/94/07/179389407.db2.gz ZUPWTUYLRCNBLW-PCKAHOCUSA-N 2 0 268.445 2.392 10 0 CEAERP COCC[N@H+](CCCC(C)(C)C[NH3+])[C@H](C)C1CC1 ZINC000087597958 179452245 /nfs/dbraw/zinc/45/22/45/179452245.db2.gz IKRRIPHDHQTCOJ-CYBMUJFWSA-N 2 0 256.434 2.498 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089456774 539717563 /nfs/dbraw/zinc/71/75/63/539717563.db2.gz KCPFQEXNUMJVDX-CVEARBPZSA-N 2 0 297.487 2.188 10 0 CEAERP C[NH+](C)CCCCn1cncc1C[NH2+]C(C)(C)C ZINC000090241982 179938930 /nfs/dbraw/zinc/93/89/30/179938930.db2.gz VRIVHTVLIGMMQU-UHFFFAOYSA-N 2 0 252.406 2.113 10 0 CEAERP COCc1nc(CNC[C@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655997 350075614 /nfs/dbraw/zinc/07/56/14/350075614.db2.gz KRCACRSMAJXDKV-GFCCVEGCSA-N 2 0 283.441 2.111 10 0 CEAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308133 179954596 /nfs/dbraw/zinc/95/45/96/179954596.db2.gz JYKSPRLMMFIEMA-CVEARBPZSA-N 2 0 279.472 2.181 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CC1CC1)C(C)C ZINC000090566559 180006453 /nfs/dbraw/zinc/00/64/53/180006453.db2.gz XOYCGEQBOMTKML-CABCVRRESA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567115 180006667 /nfs/dbraw/zinc/00/66/67/180006667.db2.gz HWNPDSOPLSWZMX-QZTJIDSGSA-N 2 0 288.435 2.102 10 0 CEAERP CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000090694471 180026011 /nfs/dbraw/zinc/02/60/11/180026011.db2.gz MJIVMLHCMMNRHT-ARFHVFGLSA-N 2 0 266.429 2.408 10 0 CEAERP C[N@H+](CCC[C@@H]1CCCO1)CCC1CC[NH2+]CC1 ZINC000090694049 180026074 /nfs/dbraw/zinc/02/60/74/180026074.db2.gz MAVPXZYSMQZWOD-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000090874134 180049651 /nfs/dbraw/zinc/04/96/51/180049651.db2.gz VGLULTWFQLOLTQ-CQSZACIVSA-N 2 0 262.397 2.168 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090873636 180050345 /nfs/dbraw/zinc/05/03/45/180050345.db2.gz YYUICAIJIPQECY-CJNGLKHVSA-N 2 0 274.408 2.310 10 0 CEAERP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1)O2 ZINC000090878910 180052599 /nfs/dbraw/zinc/05/25/99/180052599.db2.gz SYYYYBYQEMVMLQ-IAGOWNOFSA-N 2 0 286.419 2.454 10 0 CEAERP [NH3+]CCc1nc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000090958412 180074526 /nfs/dbraw/zinc/07/45/26/180074526.db2.gz VFVMGDYYPSABEM-UONOGXRCSA-N 2 0 273.405 2.290 10 0 CEAERP CC[C@H]1CCCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958012 180074556 /nfs/dbraw/zinc/07/45/56/180074556.db2.gz CIFGTNZALPFXMZ-LBPRGKRZSA-N 2 0 253.415 2.409 10 0 CEAERP [NH3+]CCc1nc(C[NH+]2CCCCCCC2)cs1 ZINC000090958000 180074655 /nfs/dbraw/zinc/07/46/55/180074655.db2.gz QKOBZHGPCHCCHT-UHFFFAOYSA-N 2 0 253.415 2.410 10 0 CEAERP C[C@H]1CC[C@H](C)[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958811 180075406 /nfs/dbraw/zinc/07/54/06/180075406.db2.gz DMBPZBSTJMFWHH-QWRGUYRKSA-N 2 0 253.415 2.265 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019754 180088191 /nfs/dbraw/zinc/08/81/91/180088191.db2.gz AIXBXWJPZJSOMR-VXGBXAGGSA-N 2 0 258.369 2.122 10 0 CEAERP C[N@H+](Cc1c[nH]c2ncccc12)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091019879 180088239 /nfs/dbraw/zinc/08/82/39/180088239.db2.gz SGAQWIKMCNZDRF-RISCZKNCSA-N 2 0 258.369 2.122 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091430838 180153669 /nfs/dbraw/zinc/15/36/69/180153669.db2.gz UINPLEOOCNNMGH-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP COc1cccc(C[NH+]2CCC(C[NH3+])(SC)CC2)c1 ZINC000091470814 180165001 /nfs/dbraw/zinc/16/50/01/180165001.db2.gz RQSNOUWWUGAZAR-UHFFFAOYSA-N 2 0 280.437 2.352 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091489420 180169268 /nfs/dbraw/zinc/16/92/68/180169268.db2.gz ANYGYRIZINNXOM-PVNJOJHASA-N 2 0 268.445 2.103 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000091393035 180145711 /nfs/dbraw/zinc/14/57/11/180145711.db2.gz OOFBCDNMMRTNKS-YDHLFZDLSA-N 2 0 265.401 2.002 10 0 CEAERP C[NH2+][C@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1C ZINC000091393931 180145755 /nfs/dbraw/zinc/14/57/55/180145755.db2.gz OIQZPAZFILOQAU-DOTOQJQBSA-N 2 0 275.440 2.282 10 0 CEAERP CCC[NH2+][C@H](CCC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394964 180145970 /nfs/dbraw/zinc/14/59/70/180145970.db2.gz VEOBHKDIFNOMPI-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395606 180146465 /nfs/dbraw/zinc/14/64/65/180146465.db2.gz NKSNVKXYKZVQKL-GJZGRUSLSA-N 2 0 255.450 2.024 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](CCCOC)CCOC ZINC000091403771 180146994 /nfs/dbraw/zinc/14/69/94/180146994.db2.gz TUJYYDOAEGZVTO-OAHLLOKOSA-N 2 0 288.476 2.386 10 0 CEAERP C[C@@H]([NH3+])C(C)(C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000091402334 180147035 /nfs/dbraw/zinc/14/70/35/180147035.db2.gz SQNMBLVWNVTMDI-GDBMZVCRSA-N 2 0 275.440 2.349 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CCC([NH+](C)C)CC1 ZINC000091402889 180147308 /nfs/dbraw/zinc/14/73/08/180147308.db2.gz IVZRVYAQLNYQKF-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091521036 180178308 /nfs/dbraw/zinc/17/83/08/180178308.db2.gz GHIQCMGRJCZTQF-CVEARBPZSA-N 2 0 262.397 2.218 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1ccnc(N)c1 ZINC000091716752 180232292 /nfs/dbraw/zinc/23/22/92/180232292.db2.gz VHPQSDZHJKEVGF-HNNXBMFYSA-N 2 0 278.444 2.306 10 0 CEAERP CC[C@@H](C)n1ccc(C[C@@H]([NH3+])CC[NH+](CC)CC)n1 ZINC000091715734 180232664 /nfs/dbraw/zinc/23/26/64/180232664.db2.gz UUQMKSAIEAAAIF-KGLIPLIRSA-N 2 0 266.433 2.456 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852328 180272934 /nfs/dbraw/zinc/27/29/34/180272934.db2.gz LMUXXHDEDAUTFD-VQCLRJIVSA-N 2 0 295.471 2.416 10 0 CEAERP CCC[N@H+](Cc1cnn(CC)c1)C1CCC([NH3+])CC1 ZINC000091852542 180273134 /nfs/dbraw/zinc/27/31/34/180273134.db2.gz SHYUFZXEXQHPRI-UHFFFAOYSA-N 2 0 264.417 2.385 10 0 CEAERP Cc1cc(C)n2cc(C[N@@H+](C)C3CCC([NH3+])CC3)nc2n1 ZINC000091846615 180270244 /nfs/dbraw/zinc/27/02/44/180270244.db2.gz WAILMBISTCCOCT-UHFFFAOYSA-N 2 0 287.411 2.048 10 0 CEAERP CC[N@H+](CC(=O)Nc1ccc(F)cc1)C1CCC([NH3+])CC1 ZINC000091850926 180272247 /nfs/dbraw/zinc/27/22/47/180272247.db2.gz HDTVUGVSRRNCDJ-UHFFFAOYSA-N 2 0 293.386 2.356 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N2CCCC2)CC1 ZINC000091870156 180277140 /nfs/dbraw/zinc/27/71/40/180277140.db2.gz YVBRRDZUWZYNBZ-FHERZECASA-N 2 0 295.471 2.240 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCC[C@@H]2CCCO2)CC1 ZINC000091870579 180277217 /nfs/dbraw/zinc/27/72/17/180277217.db2.gz VKHKEQZHEGUIDQ-YMAMQOFZSA-N 2 0 254.418 2.408 10 0 CEAERP CCCNC(=O)[C@@H](C)[N@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870162 180277560 /nfs/dbraw/zinc/27/75/60/180277560.db2.gz QUEQLLPADVXQOG-WLYUNCDWSA-N 2 0 283.460 2.144 10 0 CEAERP CCCC1CCC(C[NH3+])([C@@]2(O)CCC[NH2+]C2)CC1 ZINC000091907819 180284101 /nfs/dbraw/zinc/28/41/01/180284101.db2.gz HLJNYEKHSVZKEI-YMAMQOFZSA-N 2 0 254.418 2.036 10 0 CEAERP CC(C)(C)C1CCC(C[NH3+])([C@@]2(O)CCC[NH2+]C2)CC1 ZINC000091907839 180284267 /nfs/dbraw/zinc/28/42/67/180284267.db2.gz RPVNWQAXFAWVMY-AVVWSFFYSA-N 2 0 268.445 2.282 10 0 CEAERP CCC1CCC(C[NH3+])([C@@](C)(O)[C@H]2CCC[NH2+]C2)CC1 ZINC000091908084 180284565 /nfs/dbraw/zinc/28/45/65/180284565.db2.gz NGOBBRKYTXKSHV-PYBGIAKNSA-N 2 0 268.445 2.282 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)oc1C ZINC000092003663 180304254 /nfs/dbraw/zinc/30/42/54/180304254.db2.gz MTXIRBRPRVIHTB-CVEARBPZSA-N 2 0 291.439 2.366 10 0 CEAERP CC[NH2+]CCCc1c(C)nn(-c2cc[nH+]cc2)c1C ZINC000092321733 180362208 /nfs/dbraw/zinc/36/22/08/180362208.db2.gz QFBIAQYOPYKEFE-UHFFFAOYSA-N 2 0 258.369 2.426 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092622489 180417099 /nfs/dbraw/zinc/41/70/99/180417099.db2.gz JOBPSPHGWJDNMD-JKSUJKDBSA-N 2 0 261.413 2.021 10 0 CEAERP CN(c1cc(C[NH3+])nc2ccccc21)[C@H]1CCC[N@H+](C)C1 ZINC000109589457 186265239 /nfs/dbraw/zinc/26/52/39/186265239.db2.gz JWOASJGSOYDHMG-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000109604108 186267962 /nfs/dbraw/zinc/26/79/62/186267962.db2.gz IQFWQAKTEMMGDY-HNNXBMFYSA-N 2 0 276.380 2.063 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@H]([NH+](CC)CC)C2)nc1C ZINC000110275493 186289847 /nfs/dbraw/zinc/28/98/47/186289847.db2.gz ORGLHEYAEOXQTQ-ZDUSSCGKSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110478304 186298863 /nfs/dbraw/zinc/29/88/63/186298863.db2.gz QYRNMAWZGKMQDT-QWHCGFSZSA-N 2 0 282.432 2.446 10 0 CEAERP C[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551143 186303316 /nfs/dbraw/zinc/30/33/16/186303316.db2.gz IYZFYEHAFCSLQA-ZIAGYGMSSA-N 2 0 299.459 2.351 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000110650149 186309915 /nfs/dbraw/zinc/30/99/15/186309915.db2.gz DKOVWHANBKOOCM-LLVKDONJSA-N 2 0 259.353 2.387 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110840539 186328737 /nfs/dbraw/zinc/32/87/37/186328737.db2.gz QVTNHPUCLAWLBO-INIZCTEOSA-N 2 0 283.460 2.131 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705351 186314479 /nfs/dbraw/zinc/31/44/79/186314479.db2.gz UJLDCNCYDYXQKQ-DZGCQCFKSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717319 186315362 /nfs/dbraw/zinc/31/53/62/186315362.db2.gz LOPSNTGOPZMZNJ-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CC[N@@H+]1C ZINC000110715892 186315755 /nfs/dbraw/zinc/31/57/55/186315755.db2.gz POBOHOGLWODHEK-CZUORRHYSA-N 2 0 291.439 2.241 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711452 186315867 /nfs/dbraw/zinc/31/58/67/186315867.db2.gz VZJAKANWMPFZMD-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc(C)c([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711442 186316030 /nfs/dbraw/zinc/31/60/30/186316030.db2.gz WCESVDOIHQBCRX-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717144 186316104 /nfs/dbraw/zinc/31/61/04/186316104.db2.gz IMFONBICKLPSAG-GOEBONIOSA-N 2 0 275.440 2.362 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715472 186316399 /nfs/dbraw/zinc/31/63/99/186316399.db2.gz SDTRWNKZAFAXIY-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP CC[C@H]1CN(CCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000110757046 186319927 /nfs/dbraw/zinc/31/99/27/186319927.db2.gz JWGNYCBBUVYOCB-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000110757037 186320525 /nfs/dbraw/zinc/32/05/25/186320525.db2.gz PEGPSTCALHIYCP-HOCLYGCPSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022621 186345240 /nfs/dbraw/zinc/34/52/40/186345240.db2.gz KKVYMNUIYIUOEB-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP Cc1cc(CN(C)CC[NH+](C)C)oc1C[NH2+]CC(C)C ZINC000111149921 186360963 /nfs/dbraw/zinc/36/09/63/186360963.db2.gz TVZAOWOBTNJFKU-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP Cc1nc(N(C)CCC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000111152103 186361087 /nfs/dbraw/zinc/36/10/87/186361087.db2.gz POWFSHRJOLQRBY-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC2CCOCC2)CC1 ZINC000111157324 186362761 /nfs/dbraw/zinc/36/27/61/186362761.db2.gz GXGDZKVTGVZFAJ-ZDUSSCGKSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@@H](C[C@@H](C[NH3+])N(C)CC[NH+](C)C)c1ccccc1 ZINC000111132939 186355812 /nfs/dbraw/zinc/35/58/12/186355812.db2.gz VLGJJNFLIHZGHL-HOCLYGCPSA-N 2 0 263.429 2.001 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111131584 186356420 /nfs/dbraw/zinc/35/64/20/186356420.db2.gz KLKJNIIVANFGIZ-AAEUAGOBSA-N 2 0 255.431 2.020 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000111131340 186356829 /nfs/dbraw/zinc/35/68/29/186356829.db2.gz HYWYIPORNUQANH-WCQYABFASA-N 2 0 255.431 2.020 10 0 CEAERP CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H](C)N(C)CC[NH+](C)C ZINC000111134961 186356955 /nfs/dbraw/zinc/35/69/55/186356955.db2.gz ZXLJLINZGCNVPX-PBHICJAKSA-N 2 0 293.455 2.228 10 0 CEAERP CC(C)c1ccc([C@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111135188 186356964 /nfs/dbraw/zinc/35/69/64/186356964.db2.gz IDHVGVCQRTYXTF-MRXNPFEDSA-N 2 0 263.429 2.303 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)CCC[NH+](C)C ZINC000111135724 186357235 /nfs/dbraw/zinc/35/72/35/186357235.db2.gz YISHDKGZHXNZMD-KFWWJZLASA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CC[NH+](C)C ZINC000111134506 186357960 /nfs/dbraw/zinc/35/79/60/186357960.db2.gz RNGJPBLVQMJOPI-IAGOWNOFSA-N 2 0 275.440 2.145 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)CC[NH+](C)C)C1 ZINC000111134447 186358066 /nfs/dbraw/zinc/35/80/66/186358066.db2.gz YXRZLGHEWSXWHU-QLFBSQMISA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H](CCN(C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000111146934 186358416 /nfs/dbraw/zinc/35/84/16/186358416.db2.gz NIQSIPUCBIHCGZ-OAHLLOKOSA-N 2 0 283.847 2.484 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N(C)CCC[NH+](C)C ZINC000111149258 186359077 /nfs/dbraw/zinc/35/90/77/186359077.db2.gz FOLRCWWJSDTVFP-UHFFFAOYSA-N 2 0 278.444 2.196 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(C)CC[NH+](C)C ZINC000111147117 186359082 /nfs/dbraw/zinc/35/90/82/186359082.db2.gz UDMPNUNFSJONOF-OAGGEKHMSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CC[NH+](C)C ZINC000111147114 186359276 /nfs/dbraw/zinc/35/92/76/186359276.db2.gz UDMPNUNFSJONOF-BZUAXINKSA-N 2 0 269.477 2.284 10 0 CEAERP CN(CC[NH+](C)C)Cc1c(C[NH3+])sc2cccc(F)c21 ZINC000111149935 186360054 /nfs/dbraw/zinc/36/00/54/186360054.db2.gz GWJRPPQQZHYRPH-UHFFFAOYSA-N 2 0 295.427 2.493 10 0 CEAERP CCC[C@](C)(C[NH2+]C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171585 186364741 /nfs/dbraw/zinc/36/47/41/186364741.db2.gz KSSULESNWYZSJI-LSDHHAIUSA-N 2 0 256.434 2.371 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171870 186364871 /nfs/dbraw/zinc/36/48/71/186364871.db2.gz IHVGWLXUHXQWEY-SOUVJXGZSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326077 186398778 /nfs/dbraw/zinc/39/87/78/186398778.db2.gz FQDKUUPGGAELOK-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1C ZINC000111266850 186382698 /nfs/dbraw/zinc/38/26/98/186382698.db2.gz RUCCXQQZFGYBTP-ZFWWWQNUSA-N 2 0 289.423 2.322 10 0 CEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000070576806 363098518 /nfs/dbraw/zinc/09/85/18/363098518.db2.gz SJWLTQUGRVXCIV-GJZGRUSLSA-N 2 0 295.471 2.275 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(Br)c1F ZINC000575438828 366287896 /nfs/dbraw/zinc/28/78/96/366287896.db2.gz CAANESNHEKGKQU-SECBINFHSA-N 2 0 261.138 2.327 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093649212 364208382 /nfs/dbraw/zinc/20/83/82/364208382.db2.gz TXKFDWPRDOOGJL-ZDUSSCGKSA-N 2 0 266.433 2.329 10 0 CEAERP C[C@@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000631839128 367579301 /nfs/dbraw/zinc/57/93/01/367579301.db2.gz AQTPKEWWXNATHD-RISCZKNCSA-N 2 0 273.355 2.401 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576585 368726068 /nfs/dbraw/zinc/72/60/68/368726068.db2.gz VIDMNOYCLXHQAW-ZBFHGGJFSA-N 2 0 276.424 2.115 10 0 CEAERP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C[NH3+] ZINC000634999025 369031038 /nfs/dbraw/zinc/03/10/38/369031038.db2.gz OZDFCFMVIMNFBE-WFASDCNBSA-N 2 0 274.408 2.427 10 0 CEAERP FC(F)COCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000189367384 369506299 /nfs/dbraw/zinc/50/62/99/369506299.db2.gz KGVDLCQGEYSETP-LBPRGKRZSA-N 2 0 285.338 2.097 10 0 CEAERP COCCCC[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195284069 370122587 /nfs/dbraw/zinc/12/25/87/370122587.db2.gz UBDAKXVRIIUSPG-QGZVFWFLSA-N 2 0 291.439 2.262 10 0 CEAERP Brc1ccc(CCN[C@@H]2CC[NH2+]C2)s1 ZINC000226375802 370338293 /nfs/dbraw/zinc/33/82/93/370338293.db2.gz QWPSMQBNHTWXKH-MRVPVSSYSA-N 2 0 275.215 2.005 10 0 CEAERP C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000231668626 370485925 /nfs/dbraw/zinc/48/59/25/370485925.db2.gz MHGRXQUQKFMQFC-HNNXBMFYSA-N 2 0 293.386 2.228 10 0 CEAERP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248650257 371230164 /nfs/dbraw/zinc/23/01/64/371230164.db2.gz LXDMCDGOSQYJHO-SJORKVTESA-N 2 0 298.471 2.114 10 0 CEAERP [NH3+]C1CCN(C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000253565712 371530389 /nfs/dbraw/zinc/53/03/89/371530389.db2.gz IBIOOIHKRUQSMZ-QGZVFWFLSA-N 2 0 273.424 2.074 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261588177 371664438 /nfs/dbraw/zinc/66/44/38/371664438.db2.gz KAWQKENHNMRJPA-BPUTZDHNSA-N 2 0 260.381 2.254 10 0 CEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261591167 371667147 /nfs/dbraw/zinc/66/71/47/371667147.db2.gz LSJRUEXVVVLBGM-QEJZJMRPSA-N 2 0 260.381 2.173 10 0 CEAERP O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262025076 371804093 /nfs/dbraw/zinc/80/40/93/371804093.db2.gz WOCWNZYLNNRQDS-XJKSGUPXSA-N 2 0 296.361 2.072 10 0 CEAERP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1noc(CN)n1 ZINC000262259636 371844339 /nfs/dbraw/zinc/84/43/39/371844339.db2.gz QZMSXQFIVNDWLY-WDEREUQCSA-N 2 0 266.389 2.223 10 0 CEAERP CCOc1cc(C[NH2+][C@H]2CCN(CC)C2)ccc1OC ZINC000389482610 375303439 /nfs/dbraw/zinc/30/34/39/375303439.db2.gz XRSJXVCMWCSPGJ-AWEZNQCLSA-N 2 0 278.396 2.278 10 0 CEAERP OCC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000423007351 376927271 /nfs/dbraw/zinc/92/72/71/376927271.db2.gz QKOYJDDGNVPYMV-CABCVRRESA-N 2 0 254.418 2.049 10 0 CEAERP [NH3+]C1CCN(CC[N@H+](Cc2cccs2)C2CC2)CC1 ZINC000092721346 184623194 /nfs/dbraw/zinc/62/31/94/184623194.db2.gz WVXHIALUSBZLGZ-UHFFFAOYSA-N 2 0 279.453 2.136 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[NH2+][C@@H]2C)s1 ZINC000092957823 184637454 /nfs/dbraw/zinc/63/74/54/184637454.db2.gz AVFZOBIFQAEUCD-PTRXPTGYSA-N 2 0 253.415 2.409 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc([C@H](C)[NH2+]C)cs1 ZINC000080805932 177710168 /nfs/dbraw/zinc/71/01/68/177710168.db2.gz WAWRPUODRLEJND-NSHDSACASA-N 2 0 270.446 2.202 10 0 CEAERP C[NH2+][C@]1(CO)CCC[C@H]1CC[N@H+](CC(C)C)C(C)C ZINC000093617866 184696839 /nfs/dbraw/zinc/69/68/39/184696839.db2.gz AQMRAQRFHPMTNG-HOTGVXAUSA-N 2 0 270.461 2.494 10 0 CEAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCSC1 ZINC000093678056 184704619 /nfs/dbraw/zinc/70/46/19/184704619.db2.gz MCASZGPITGDNFL-WTUNAVPPSA-N 2 0 254.443 2.344 10 0 CEAERP CC(C)[NH2+]Cc1csc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094444616 184801245 /nfs/dbraw/zinc/80/12/45/184801245.db2.gz JFGQUGKBRKVNLS-CQSZACIVSA-N 2 0 294.468 2.316 10 0 CEAERP C[NH2+][C@@H]1[C@@H](CN2CC[C@H]([NH+](C)C)C2)CCCC1(C)C ZINC000094288427 184775903 /nfs/dbraw/zinc/77/59/03/184775903.db2.gz MHRDAHMBYLRZEA-QLFBSQMISA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094289417 184776053 /nfs/dbraw/zinc/77/60/53/184776053.db2.gz NEEGGDVBIOBYAB-HZPDHXFCSA-N 2 0 282.472 2.447 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000094462162 184805368 /nfs/dbraw/zinc/80/53/68/184805368.db2.gz GKNYDUFHRZUHEF-ICUGJSFKSA-N 2 0 291.483 2.466 10 0 CEAERP CC[NH2+][C@H]1[C@H](C[NH+]2CCCC2)C(C)(C)OC1(C)C ZINC000094427353 184796099 /nfs/dbraw/zinc/79/60/99/184796099.db2.gz VCLAKSVUROQBNJ-STQMWFEESA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+][C@@H](CCN(C)CCC[NH+](C)C)c1cc(F)cc(F)c1 ZINC000094830680 184876648 /nfs/dbraw/zinc/87/66/48/184876648.db2.gz ATWZKGPMIBNUGM-INIZCTEOSA-N 2 0 299.409 2.499 10 0 CEAERP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000400530511 533404618 /nfs/dbraw/zinc/40/46/18/533404618.db2.gz RNQISJDNSICKLT-CHWSQXEVSA-N 2 0 257.381 2.298 10 0 CEAERP C[C@@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354573 533611039 /nfs/dbraw/zinc/61/10/39/533611039.db2.gz AAJGSVPPXXTIAJ-XYJFISCASA-N 2 0 289.467 2.485 10 0 CEAERP [NH3+]CCC1(C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000088249271 135053665 /nfs/dbraw/zinc/05/36/65/135053665.db2.gz YYOBDTLKEXCMMI-UHFFFAOYSA-N 2 0 277.387 2.077 10 0 CEAERP OC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089495844 135059320 /nfs/dbraw/zinc/05/93/20/135059320.db2.gz LYTJXPYFSLOKJY-CABCVRRESA-N 2 0 289.423 2.049 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000091546085 135072026 /nfs/dbraw/zinc/07/20/26/135072026.db2.gz ZYCIYVVCGVYLKR-HZPDHXFCSA-N 2 0 273.424 2.244 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H](C)[C@@H](C)C[NH3+])CC2)c1C ZINC000093068245 135078955 /nfs/dbraw/zinc/07/89/55/135078955.db2.gz JOCDDBUGNQJXNN-GOEBONIOSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H]3CC[C@H]([NH3+])C3)CC2)c1C ZINC000093224223 135079664 /nfs/dbraw/zinc/07/96/64/135079664.db2.gz JMBCICRXPPEABH-HOTGVXAUSA-N 2 0 273.424 2.305 10 0 CEAERP COc1ccc(F)cc1C[NH2+]C1CCC([NH3+])CC1 ZINC000258908290 394599090 /nfs/dbraw/zinc/59/90/90/394599090.db2.gz WYRFQWXBWCKZOO-UHFFFAOYSA-N 2 0 252.333 2.194 10 0 CEAERP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292400 395174367 /nfs/dbraw/zinc/17/43/67/395174367.db2.gz JZAQESWTZLKLBK-DZUCGIPZSA-N 2 0 274.408 2.228 10 0 CEAERP Cc1cnccc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000180610060 395204915 /nfs/dbraw/zinc/20/49/15/395204915.db2.gz WCTKEGRLGUDCJA-CYBMUJFWSA-N 2 0 285.351 2.283 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165345160 162344107 /nfs/dbraw/zinc/34/41/07/162344107.db2.gz SVQJTKQBTGIWME-GOEBONIOSA-N 2 0 297.487 2.105 10 0 CEAERP CCn1cc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cn1 ZINC000178979875 165267213 /nfs/dbraw/zinc/26/72/13/165267213.db2.gz PYSHNAGHJJVXIE-UHFFFAOYSA-N 2 0 276.428 2.082 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@H]1CCSC1 ZINC000020128570 171015419 /nfs/dbraw/zinc/01/54/19/171015419.db2.gz URHYWNSPTNWCCP-AWEZNQCLSA-N 2 0 250.411 2.343 10 0 CEAERP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365703 171164068 /nfs/dbraw/zinc/16/40/68/171164068.db2.gz VUWZAAHNYOJDQW-HUUCEWRRSA-N 2 0 285.476 2.343 10 0 CEAERP [NH3+]Cc1ccccc1NC(=O)CCC[NH+]1CCCCC1 ZINC000022169088 171367299 /nfs/dbraw/zinc/36/72/99/171367299.db2.gz RNCLGTRVHNAEON-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022213087 171374298 /nfs/dbraw/zinc/37/42/98/171374298.db2.gz GTFKNARQJXQJER-INIZCTEOSA-N 2 0 291.439 2.111 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022218466 171376695 /nfs/dbraw/zinc/37/66/95/171376695.db2.gz NNHUSPUVDMUGTG-KRWDZBQOSA-N 2 0 291.439 2.111 10 0 CEAERP C[N@H+](Cc1ccc(C[NH3+])cc1F)[C@@H]1CCSC1 ZINC000035725208 172379973 /nfs/dbraw/zinc/37/99/73/172379973.db2.gz BOJHIYPTHMMICF-GFCCVEGCSA-N 2 0 254.374 2.222 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000036128007 172448794 /nfs/dbraw/zinc/44/87/94/172448794.db2.gz MOLJSXNUMFBSPD-KBUPBQIOSA-N 2 0 254.418 2.393 10 0 CEAERP CC[C@@H](C)CN(C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000037172720 173006649 /nfs/dbraw/zinc/00/66/49/173006649.db2.gz IYMBVJFEEUSMNK-CQSZACIVSA-N 2 0 255.450 2.166 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000037496828 173235938 /nfs/dbraw/zinc/23/59/38/173235938.db2.gz PSGGHFNQYMKNPH-CABCVRRESA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508124 174302982 /nfs/dbraw/zinc/30/29/82/174302982.db2.gz CNGGNLWSVBAXBO-HRCADAONSA-N 2 0 295.471 2.097 10 0 CEAERP C[C@H]1CCC[C@@](CNC(=O)C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000040670507 174368581 /nfs/dbraw/zinc/36/85/81/174368581.db2.gz KYLTYOFZTGQNOM-PBMMVSLJSA-N 2 0 295.471 2.131 10 0 CEAERP CC[C@@H](C)[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693719 174377811 /nfs/dbraw/zinc/37/78/11/174377811.db2.gz LXLZSFPARDRJRS-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[N@H+](C1CCC2(CC1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747522 174392643 /nfs/dbraw/zinc/39/26/43/174392643.db2.gz QVSFOZCEOROHIV-MZBDJJRSSA-N 2 0 294.439 2.277 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1C ZINC000043314886 175004873 /nfs/dbraw/zinc/00/48/73/175004873.db2.gz KUJZZCBCJXDSML-SFHVURJKSA-N 2 0 287.451 2.331 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CC[NH+](C)CC1 ZINC000043363798 175024730 /nfs/dbraw/zinc/02/47/30/175024730.db2.gz SWEWWNCYVCGELL-GOEBONIOSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]([NH3+])[C@H](N(CC[NH+](C)C)CC(C)C)C(F)(F)F ZINC000043379257 175030902 /nfs/dbraw/zinc/03/09/02/175030902.db2.gz NRPICWKTJXFOQX-RYUDHWBXSA-N 2 0 283.382 2.174 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000043810421 175109309 /nfs/dbraw/zinc/10/93/09/175109309.db2.gz WXZWIHWHAWFPKX-SFHVURJKSA-N 2 0 283.419 2.348 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000043810482 175109788 /nfs/dbraw/zinc/10/97/88/175109788.db2.gz FCUPMZSFFYOBTP-KRWDZBQOSA-N 2 0 289.467 2.492 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818519 175113071 /nfs/dbraw/zinc/11/30/71/175113071.db2.gz VNROVPZVNPUKOT-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818215 175113357 /nfs/dbraw/zinc/11/33/57/175113357.db2.gz AEZCAXPCLFETHD-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000043897159 175119743 /nfs/dbraw/zinc/11/97/43/175119743.db2.gz YLDZAMIUMQMTAA-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897266 175119909 /nfs/dbraw/zinc/11/99/09/175119909.db2.gz VTXFWBPORVIDGR-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897066 175120037 /nfs/dbraw/zinc/12/00/37/175120037.db2.gz SQQQYMDFPPJUKM-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000044798075 175255142 /nfs/dbraw/zinc/25/51/42/175255142.db2.gz GVGKBUMWKQYCSG-GDBMZVCRSA-N 2 0 291.439 2.171 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000044806021 175256473 /nfs/dbraw/zinc/25/64/73/175256473.db2.gz JLQIXXRXWKDTDV-CQSZACIVSA-N 2 0 285.476 2.234 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000045135557 175313648 /nfs/dbraw/zinc/31/36/48/175313648.db2.gz GBJQBZYWYYZCRI-OAHLLOKOSA-N 2 0 295.471 2.132 10 0 CEAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c1C ZINC000045171418 175321324 /nfs/dbraw/zinc/32/13/24/175321324.db2.gz HDNZNXUBUOVSEB-RISCZKNCSA-N 2 0 264.417 2.122 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000045173279 175322201 /nfs/dbraw/zinc/32/22/01/175322201.db2.gz VEKYBXXUVDSFMS-FUDCBSFHSA-N 2 0 262.401 2.052 10 0 CEAERP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045370738 175364219 /nfs/dbraw/zinc/36/42/19/175364219.db2.gz ACAYFXADVJXAEZ-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045372473 175364914 /nfs/dbraw/zinc/36/49/14/175364914.db2.gz NUOBZJBIGVWEOU-KRWDZBQOSA-N 2 0 295.471 2.417 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379757 175369082 /nfs/dbraw/zinc/36/90/82/175369082.db2.gz JEQMJRIWEDMLLU-DZKIICNBSA-N 2 0 283.460 2.272 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387490 175373105 /nfs/dbraw/zinc/37/31/05/175373105.db2.gz CUXPBAHTWKRCCV-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390522 175374415 /nfs/dbraw/zinc/37/44/15/175374415.db2.gz TUSGQWBDBDBPNU-KRWDZBQOSA-N 2 0 295.471 2.417 10 0 CEAERP CC[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CCO1 ZINC000070359415 175889079 /nfs/dbraw/zinc/88/90/79/175889079.db2.gz SFASATPXHGOJJT-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[C@@H]1C[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CCO1 ZINC000070368353 175897933 /nfs/dbraw/zinc/89/79/33/175897933.db2.gz BMAHQPMDOYRIAX-VHDGCEQUSA-N 2 0 254.418 2.393 10 0 CEAERP CC(C)[C@H]1C[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CCO1 ZINC000070368362 175898072 /nfs/dbraw/zinc/89/80/72/175898072.db2.gz SVPKRZBYZSRMNE-VHDGCEQUSA-N 2 0 254.418 2.249 10 0 CEAERP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200064 415635173 /nfs/dbraw/zinc/63/51/73/415635173.db2.gz IXGBQESELCTUNX-LSDHHAIUSA-N 2 0 261.413 2.219 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000070504624 175958629 /nfs/dbraw/zinc/95/86/29/175958629.db2.gz YBSWZHYEJPMYBR-UHFFFAOYSA-N 2 0 279.472 2.312 10 0 CEAERP CC[NH2+][C@](C)(CO)CCCC[NH+]1CCC(OCC)CC1 ZINC000070513767 175962503 /nfs/dbraw/zinc/96/25/03/175962503.db2.gz WBLUASPDVUSPHH-INIZCTEOSA-N 2 0 286.460 2.018 10 0 CEAERP CC(C)[NH2+][C@@](C)(CO)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000070514060 175962841 /nfs/dbraw/zinc/96/28/41/175962841.db2.gz BQSNBQKWGKHMJZ-JKSUJKDBSA-N 2 0 286.460 2.017 10 0 CEAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283061 415673941 /nfs/dbraw/zinc/67/39/41/415673941.db2.gz HAXBHGLRRXPVIA-BPLDGKMQSA-N 2 0 254.418 2.169 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071044969 176029666 /nfs/dbraw/zinc/02/96/66/176029666.db2.gz SMNWFFJYFUHVPW-INIZCTEOSA-N 2 0 276.424 2.478 10 0 CEAERP CC(C)[N@H+](CCC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044746 176029717 /nfs/dbraw/zinc/02/97/17/176029717.db2.gz LVZBKLAWOZSQMR-INIZCTEOSA-N 2 0 262.397 2.360 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](CCCOC)CCOC)C1 ZINC000071124067 176035124 /nfs/dbraw/zinc/03/51/24/176035124.db2.gz TUXQLLNNEBOSBD-CVEARBPZSA-N 2 0 286.460 2.269 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071124573 176035141 /nfs/dbraw/zinc/03/51/41/176035141.db2.gz QIHSMIDZQGRVHL-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124162 176035343 /nfs/dbraw/zinc/03/53/43/176035343.db2.gz MESIQKMBIZHTJN-ARFHVFGLSA-N 2 0 286.460 2.267 10 0 CEAERP Cc1cccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187913 176061301 /nfs/dbraw/zinc/06/13/01/176061301.db2.gz JQYAHXUVHKKJRQ-UXLLHSPISA-N 2 0 275.440 2.267 10 0 CEAERP C[N@@H+](Cc1ccc(N)c2cccnc12)C[C@H]1CC[NH+](C)C1 ZINC000071187806 176062109 /nfs/dbraw/zinc/06/21/09/176062109.db2.gz AXVPOPZFUSXDGQ-ZDUSSCGKSA-N 2 0 284.407 2.201 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188087 176062274 /nfs/dbraw/zinc/06/22/74/176062274.db2.gz OHVYRORCZCWICR-KBRIMQKVSA-N 2 0 293.430 2.488 10 0 CEAERP CCC1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188563 176062537 /nfs/dbraw/zinc/06/25/37/176062537.db2.gz IEYPIJMLPHYKOZ-PCKAHOCUSA-N 2 0 267.461 2.168 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188780 176063317 /nfs/dbraw/zinc/06/33/17/176063317.db2.gz ARTXEKGNDIEQGU-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189001 176064643 /nfs/dbraw/zinc/06/46/43/176064643.db2.gz JZKBBHAOMRZYLG-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](C)c1ccccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189415 176064813 /nfs/dbraw/zinc/06/48/13/176064813.db2.gz PRNDLXBZCIPGKE-ZIAGYGMSSA-N 2 0 261.413 2.355 10 0 CEAERP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000071191266 176069804 /nfs/dbraw/zinc/06/98/04/176069804.db2.gz INOHCUKSGJPTSG-PBHICJAKSA-N 2 0 293.430 2.360 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191643 176070027 /nfs/dbraw/zinc/07/00/27/176070027.db2.gz VUQGPMKBXRVUSZ-HNNXBMFYSA-N 2 0 290.455 2.196 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191376 176070604 /nfs/dbraw/zinc/07/06/04/176070604.db2.gz KGFLDFOJWAAJTR-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191480 176070661 /nfs/dbraw/zinc/07/06/61/176070661.db2.gz GBBAHFDXDUYPFL-HZPDHXFCSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH2+]Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192035 176072558 /nfs/dbraw/zinc/07/25/58/176072558.db2.gz MCAGSHZQMGKSKK-AWEZNQCLSA-N 2 0 279.428 2.081 10 0 CEAERP C[N@H+](CCCC[NH2+]C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000071191978 176072630 /nfs/dbraw/zinc/07/26/30/176072630.db2.gz ZWYDLHLBXSWCJS-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CN(Cc1oc2ccccc2c1C[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071191818 176072748 /nfs/dbraw/zinc/07/27/48/176072748.db2.gz WTPKTWWDIWMWIH-ZDUSSCGKSA-N 2 0 287.407 2.275 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192315 176073106 /nfs/dbraw/zinc/07/31/06/176073106.db2.gz RRNUBTORHAYVRF-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000071192593 176074820 /nfs/dbraw/zinc/07/48/20/176074820.db2.gz PFGUZSUEAURECF-LLVKDONJSA-N 2 0 296.484 2.287 10 0 CEAERP CCC[NH2+][C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197775 176076624 /nfs/dbraw/zinc/07/66/24/176076624.db2.gz MKBGHHYSZZIVMC-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071198143 176077070 /nfs/dbraw/zinc/07/70/70/176077070.db2.gz DAMUJNZFZZQYCL-WBVHZDCISA-N 2 0 279.472 2.467 10 0 CEAERP C[C@H](C[NH+]1CCCC1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268895 176102061 /nfs/dbraw/zinc/10/20/61/176102061.db2.gz JARGIYQPOJDAPT-LLVKDONJSA-N 2 0 261.344 2.451 10 0 CEAERP C(CCCN1CCC[N@@H+]2CCC[C@@H]2C1)CC[NH2+]C1CC1 ZINC000071289934 176110242 /nfs/dbraw/zinc/11/02/42/176110242.db2.gz JOBQLMKRHXSNDQ-QGZVFWFLSA-N 2 0 279.472 2.469 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]Cc2ccnn2C)CC1 ZINC000071333317 176126136 /nfs/dbraw/zinc/12/61/36/176126136.db2.gz YQBOHWIDULSRQY-CYBMUJFWSA-N 2 0 264.417 2.020 10 0 CEAERP CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000078005384 177316877 /nfs/dbraw/zinc/31/68/77/177316877.db2.gz CXSFBCOBUOBFPY-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NCCC[NH+](CC)CC ZINC000079235237 177452753 /nfs/dbraw/zinc/45/27/53/177452753.db2.gz VJLCUWFPBXLGAL-OAHLLOKOSA-N 2 0 285.476 2.380 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000079242358 177454908 /nfs/dbraw/zinc/45/49/08/177454908.db2.gz AEQBFEYMVXUHAH-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000079625900 177529155 /nfs/dbraw/zinc/52/91/55/177529155.db2.gz JVSFTYMJFMKMGX-KKUMJFAQSA-N 2 0 267.461 2.179 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])C(C)C)CC1 ZINC000136407897 419446514 /nfs/dbraw/zinc/44/65/14/419446514.db2.gz YXBQZFSKXZQOSR-INIZCTEOSA-N 2 0 297.487 2.330 10 0 CEAERP c1ccc(COCCCC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000390568782 262220214 /nfs/dbraw/zinc/22/02/14/262220214.db2.gz ACYDWEFQZABWKI-UHFFFAOYSA-N 2 0 262.397 2.325 10 0 CEAERP O[C@@H](C[NH2+]C1CCC2(CC2)CC1)C[NH+]1CCCCC1 ZINC000362918817 280420428 /nfs/dbraw/zinc/42/04/28/280420428.db2.gz QAYTWSMGQYBZAJ-HNNXBMFYSA-N 2 0 266.429 2.146 10 0 CEAERP Cc1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398348269 280693280 /nfs/dbraw/zinc/69/32/80/280693280.db2.gz HWWOMJALKHTFSU-NSHDSACASA-N 2 0 283.213 2.457 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000083799081 289117405 /nfs/dbraw/zinc/11/74/05/289117405.db2.gz IZBUNIGOLQHFBE-AWEZNQCLSA-N 2 0 299.459 2.175 10 0 CEAERP C[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000576219031 314253763 /nfs/dbraw/zinc/25/37/63/314253763.db2.gz UUAIHGDLDFVKIB-BZUAXINKSA-N 2 0 267.461 2.086 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545678 519723810 /nfs/dbraw/zinc/72/38/10/519723810.db2.gz BGTOKZUTVRYKMU-LSDHHAIUSA-N 2 0 266.385 2.257 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000052544077 519918877 /nfs/dbraw/zinc/91/88/77/519918877.db2.gz KDDAKPQTUKTEDU-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCC[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573523 519919815 /nfs/dbraw/zinc/91/98/15/519919815.db2.gz VHCXBAURUFDMKJ-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(C)o2)O1 ZINC000052455887 519953021 /nfs/dbraw/zinc/95/30/21/519953021.db2.gz ZTUXBZUPZNZGFM-DZGCQCFKSA-N 2 0 266.385 2.177 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903668 519963186 /nfs/dbraw/zinc/96/31/86/519963186.db2.gz YPNINBAYLBJDIH-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](CCO)C1CC1 ZINC000054560569 520121424 /nfs/dbraw/zinc/12/14/24/520121424.db2.gz SHSFZTOHFMOJOV-BFYDXBDKSA-N 2 0 282.472 2.494 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccccc1F ZINC000062740900 520515920 /nfs/dbraw/zinc/51/59/20/520515920.db2.gz DNMWJEMPKSAJGT-ZDUSSCGKSA-N 2 0 254.349 2.011 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000053858550 521655538 /nfs/dbraw/zinc/65/55/38/521655538.db2.gz VDUDDOFKPIQFHR-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052422335 521687567 /nfs/dbraw/zinc/68/75/67/521687567.db2.gz MWSRMFXLBKSTCU-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000061644634 521843178 /nfs/dbraw/zinc/84/31/78/521843178.db2.gz JDEREVYNOZGLDK-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074755 522121677 /nfs/dbraw/zinc/12/16/77/522121677.db2.gz YDGCGQWATZPIKL-JKSUJKDBSA-N 2 0 269.477 2.284 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643425 522491437 /nfs/dbraw/zinc/49/14/37/522491437.db2.gz RGUMEGHYCAHOFJ-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP C(CC[NH2+]C1CC1)CCOCC[NH+]1CCCCC1 ZINC000052670992 518384248 /nfs/dbraw/zinc/38/42/48/518384248.db2.gz RFVZWSPLQWPASN-UHFFFAOYSA-N 2 0 254.418 2.411 10 0 CEAERP CC(C)(C)[NH+]1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401314 518710451 /nfs/dbraw/zinc/71/04/51/518710451.db2.gz IINMZKWJHKQOCP-UHFFFAOYSA-N 2 0 279.403 2.201 10 0 CEAERP CC(C)N1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052479967 519681554 /nfs/dbraw/zinc/68/15/54/519681554.db2.gz NLUHYIWYABYRKS-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH+]1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052480171 519682929 /nfs/dbraw/zinc/68/29/29/519682929.db2.gz HNBQPMDDYMJMDL-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000055082185 519726116 /nfs/dbraw/zinc/72/61/16/519726116.db2.gz IRYMQADAIYTJPM-KRWDZBQOSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083737 519726727 /nfs/dbraw/zinc/72/67/27/519726727.db2.gz UJOOBIIEOZBPES-KRWDZBQOSA-N 2 0 275.440 2.134 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2cccc(F)c2)[C@H](C)[NH3+])CC1 ZINC000055077459 519727784 /nfs/dbraw/zinc/72/77/84/519727784.db2.gz FDKDVAVUUFTICK-YOEHRIQHSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055078268 519727883 /nfs/dbraw/zinc/72/78/83/519727883.db2.gz KVTYBBMMKSGGRG-MRXNPFEDSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055079049 519727924 /nfs/dbraw/zinc/72/79/24/519727924.db2.gz JNDUQWXNCHKQIQ-NVXWUHKLSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077363 519727961 /nfs/dbraw/zinc/72/79/61/519727961.db2.gz VQRCSBSUJDJPHR-ZIAGYGMSSA-N 2 0 255.450 2.022 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055078565 519728001 /nfs/dbraw/zinc/72/80/01/519728001.db2.gz ZYWMIKJLSUDAKR-OAHLLOKOSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507661 519745324 /nfs/dbraw/zinc/74/53/24/519745324.db2.gz DJFNAIBBOZQNMP-YESZJQIVSA-N 2 0 298.471 2.281 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000052503304 519745664 /nfs/dbraw/zinc/74/56/64/519745664.db2.gz JGBNNJZLZYIAJZ-INIZCTEOSA-N 2 0 271.493 2.388 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205963 519793601 /nfs/dbraw/zinc/79/36/01/519793601.db2.gz RIQSVBVMTPUGLX-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@@H](CN(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049197488 519793607 /nfs/dbraw/zinc/79/36/07/519793607.db2.gz YMSBPTYCASRPDW-QGZVFWFLSA-N 2 0 290.455 2.226 10 0 CEAERP CCC[NH+]1CCN(CCCCC[NH2+]CC(C)C)CC1 ZINC000052421998 519857259 /nfs/dbraw/zinc/85/72/59/519857259.db2.gz CIRDYMQUXBVQGP-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629103 519908934 /nfs/dbraw/zinc/90/89/34/519908934.db2.gz NLLHRGXZVVRGCV-HNSVSWJLSA-N 2 0 266.429 2.408 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183016 519910748 /nfs/dbraw/zinc/91/07/48/519910748.db2.gz ZPTGNHDTCWARAM-LSDHHAIUSA-N 2 0 266.429 2.267 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)[C@@H]1CCCO1 ZINC000054628108 519911158 /nfs/dbraw/zinc/91/11/58/519911158.db2.gz NGKFLKSPHXWDGT-MNFFZHCASA-N 2 0 252.402 2.159 10 0 CEAERP CC[NH2+]CCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417220 519919138 /nfs/dbraw/zinc/91/91/38/519919138.db2.gz CVVMFMJGBVOKNM-UHFFFAOYSA-N 2 0 292.423 2.452 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973284 519929731 /nfs/dbraw/zinc/92/97/31/519929731.db2.gz OITGUFVTOCDEKU-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673637 519938873 /nfs/dbraw/zinc/93/88/73/519938873.db2.gz VAWSIUHOWNFBBE-XHSDSOJGSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]Cc1cccc(C[N@H+](C)CCOC)c1 ZINC000052572792 519954850 /nfs/dbraw/zinc/95/48/50/519954850.db2.gz OOKLLZGMPNFONA-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000052480156 519975148 /nfs/dbraw/zinc/97/51/48/519975148.db2.gz YOQYPFFJQBSKRC-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]Cc1cc(COCCC[NH+](C)C)c(C)o1 ZINC000052672674 519991747 /nfs/dbraw/zinc/99/17/47/519991747.db2.gz GVDDLVDZJCOMAZ-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)o1 ZINC000052515299 519995524 /nfs/dbraw/zinc/99/55/24/519995524.db2.gz KEDQUXGLGCVCAU-UHFFFAOYSA-N 3 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1ccc(N2CC[NH+]([C@H](C)CC)CC2)nc1 ZINC000055073388 519998142 /nfs/dbraw/zinc/99/81/42/519998142.db2.gz NLPVUZVXXPEBKV-CQSZACIVSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1ccc(N2CC[NH+]([C@@H](C)CC)CC2)nc1 ZINC000055073392 519998211 /nfs/dbraw/zinc/99/82/11/519998211.db2.gz NLPVUZVXXPEBKV-AWEZNQCLSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](CCO)C1CC1 ZINC000054560567 520219345 /nfs/dbraw/zinc/21/93/45/520219345.db2.gz SHSFZTOHFMOJOV-UXLLHSPISA-N 2 0 282.472 2.494 10 0 CEAERP CCCO[C@H]1CCC[N@H+](CC2(C[NH2+]CC)CCOCC2)C1 ZINC000052198033 520285270 /nfs/dbraw/zinc/28/52/70/520285270.db2.gz QEJZMFISRDKDTL-INIZCTEOSA-N 2 0 298.471 2.284 10 0 CEAERP CCCC[N@H+](CCn1cc(C[NH2+]CC)nn1)[C@@H](C)CC ZINC000052372709 520541704 /nfs/dbraw/zinc/54/17/04/520541704.db2.gz XBURUOCFSMQMHF-AWEZNQCLSA-N 2 0 281.448 2.288 10 0 CEAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979113 520727637 /nfs/dbraw/zinc/72/76/37/520727637.db2.gz ZXIBSYIJJUWAKT-RRFJBIMHSA-N 2 0 253.434 2.063 10 0 CEAERP CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)[NH2+]C)cc1 ZINC000061318499 520748510 /nfs/dbraw/zinc/74/85/10/520748510.db2.gz MYPXOPYSKGVFMJ-UHFFFAOYSA-N 2 0 291.439 2.143 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000062979092 520829814 /nfs/dbraw/zinc/82/98/14/520829814.db2.gz APCTZJZUAKMIPN-LTIDMASMSA-N 2 0 279.472 2.453 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000062967626 520841012 /nfs/dbraw/zinc/84/10/12/520841012.db2.gz ACTXDOPESBQNRA-OAHLLOKOSA-N 2 0 295.471 2.228 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000062978891 520874434 /nfs/dbraw/zinc/87/44/34/520874434.db2.gz JYPDJCCOELGORX-UAGQMJEPSA-N 2 0 273.424 2.027 10 0 CEAERP CC[N@H+](CCOC)Cc1occc1C[NH2+]CC(C)C ZINC000052542667 521138696 /nfs/dbraw/zinc/13/86/96/521138696.db2.gz UHXFOVAFJNQYEY-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP C[NH2+][C@@H](C)c1ccccc1N1CCC([NH+](C)C)CC1 ZINC000036192375 536350814 /nfs/dbraw/zinc/35/08/14/536350814.db2.gz VERKZSXJWXHJJW-ZDUSSCGKSA-N 2 0 261.413 2.497 10 0 CEAERP CCC[C@](C)(C[NH2+]C1CC1)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969884 521266156 /nfs/dbraw/zinc/26/61/56/521266156.db2.gz IVXZHUZBGFADCG-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC(CC)(C[NH2+]C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763388 521439515 /nfs/dbraw/zinc/43/95/15/521439515.db2.gz KSLQULLVRDEPIO-AWEZNQCLSA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N(C)Cc2ccccc2C)CC1 ZINC000048872027 521550250 /nfs/dbraw/zinc/55/02/50/521550250.db2.gz CCTDNDBDVKLBPC-UHFFFAOYSA-N 2 0 275.440 2.240 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052543926 521567685 /nfs/dbraw/zinc/56/76/85/521567685.db2.gz SSQFNMSXQITGMA-INIZCTEOSA-N 2 0 269.477 2.425 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484099 521655860 /nfs/dbraw/zinc/65/58/60/521655860.db2.gz SKUSPLCDQPEEAY-SJORKVTESA-N 2 0 298.471 2.281 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CC(C)(C)C[NH2+]C(C)(C)C ZINC000061653541 521838196 /nfs/dbraw/zinc/83/81/96/521838196.db2.gz WOZACVQVXAVYBF-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000052203342 521950590 /nfs/dbraw/zinc/95/05/90/521950590.db2.gz WAFNKZYIIDRLRL-KRWDZBQOSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000053011978 522055406 /nfs/dbraw/zinc/05/54/06/522055406.db2.gz IJSLMBZXVLOVKO-HNNXBMFYSA-N 2 0 261.413 2.054 10 0 CEAERP C[NH2+]C[C@@](C)(CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000051213371 522064210 /nfs/dbraw/zinc/06/42/10/522064210.db2.gz BODOKQOVKGCUCP-SFHVURJKSA-N 2 0 289.467 2.190 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C)c(C[NH3+])o1 ZINC000052547353 522092429 /nfs/dbraw/zinc/09/24/29/522092429.db2.gz KXVVVPDCRQKIGZ-GFCCVEGCSA-N 2 0 254.374 2.294 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000055083475 522118334 /nfs/dbraw/zinc/11/83/34/522118334.db2.gz GKQVBHPQHPUQQT-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065460 522122488 /nfs/dbraw/zinc/12/24/88/522122488.db2.gz RHULKWJCLUWLLF-RHSMWYFYSA-N 2 0 291.439 2.111 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@H+](CCOC)CC(C)C)cc1 ZINC000052508577 522123148 /nfs/dbraw/zinc/12/31/48/522123148.db2.gz WOJIWMJNFZZRHY-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1cccnc1 ZINC000052479543 522133608 /nfs/dbraw/zinc/13/36/08/522133608.db2.gz CXCNGOJYUUNZDT-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000055076289 522137416 /nfs/dbraw/zinc/13/74/16/522137416.db2.gz MBDSPEZIRRLFMA-MNOVXSKESA-N 2 0 282.457 2.392 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653642 522377482 /nfs/dbraw/zinc/37/74/82/522377482.db2.gz SYTMSAZBGLXQJM-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP CN(C1CC[NH+](C)CC1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000052684826 522414984 /nfs/dbraw/zinc/41/49/84/522414984.db2.gz BDFRGOAAHYFSJJ-LSDHHAIUSA-N 2 0 253.434 2.063 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419790 522545168 /nfs/dbraw/zinc/54/51/68/522545168.db2.gz PTNYCMURMPTRGB-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP COC[C@H](C)[N@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557117 522593289 /nfs/dbraw/zinc/59/32/89/522593289.db2.gz YNJSIYJJGYOIJD-NFOMZHRRSA-N 2 0 256.434 2.497 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977586 522648633 /nfs/dbraw/zinc/64/86/33/522648633.db2.gz ILMJPWYEVLEGHY-UXLLHSPISA-N 2 0 288.439 2.030 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963924 522653535 /nfs/dbraw/zinc/65/35/35/522653535.db2.gz ZMNHOZNCGXLYGY-XHSDSOJGSA-N 2 0 279.403 2.240 10 0 CEAERP COC1CC[NH+](CC2(C[NH2+]CC(C)C)CCOCC2)CC1 ZINC000052181524 522703123 /nfs/dbraw/zinc/70/31/23/522703123.db2.gz DVKUQONVINYROL-UHFFFAOYSA-N 2 0 298.471 2.140 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401736 523285561 /nfs/dbraw/zinc/28/55/61/523285561.db2.gz HPMKCPZTHYFORT-HNNXBMFYSA-N 2 0 294.370 2.202 10 0 CEAERP CC[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087179 523332369 /nfs/dbraw/zinc/33/23/69/523332369.db2.gz GWNUMXAELPDOJN-CVEARBPZSA-N 2 0 274.408 2.454 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571021 523514673 /nfs/dbraw/zinc/51/46/73/523514673.db2.gz OAECVRKDRFGJCE-GDBMZVCRSA-N 2 0 292.423 2.284 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571161 523517790 /nfs/dbraw/zinc/51/77/90/523517790.db2.gz OPRSWQVLAQBXBK-CZUORRHYSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064171 523957691 /nfs/dbraw/zinc/95/76/91/523957691.db2.gz ABWNVHQQXNHJNM-ARFHVFGLSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccc(Cl)c(C[NH3+])n2)CC1 ZINC000055073562 523960681 /nfs/dbraw/zinc/96/06/81/523960681.db2.gz PPAISBFWPPQEON-NSHDSACASA-N 2 0 282.819 2.114 10 0 CEAERP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[NH2+]2)CCCCC1 ZINC000050949854 524035482 /nfs/dbraw/zinc/03/54/82/524035482.db2.gz DNFIDYKZDKWTQS-HNNXBMFYSA-N 2 0 295.471 2.289 10 0 CEAERP C[NH+](C)C1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052477839 524040159 /nfs/dbraw/zinc/04/01/59/524040159.db2.gz SVKIWUXNVRIIOQ-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH+](C)C1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016026 524040908 /nfs/dbraw/zinc/04/09/08/524040908.db2.gz KLPLGXUEUZSEPK-INIZCTEOSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH+](C)CCCO[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052672717 524058136 /nfs/dbraw/zinc/05/81/36/524058136.db2.gz ADFUVILQYIGRQU-INIZCTEOSA-N 2 0 262.397 2.448 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761621 524131358 /nfs/dbraw/zinc/13/13/58/524131358.db2.gz OJJPPJXEIFUEHY-RISCZKNCSA-N 2 0 260.385 2.376 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000068628177 524336208 /nfs/dbraw/zinc/33/62/08/524336208.db2.gz AYGCGLVDEONFFY-INMHGKMJSA-N 2 0 279.472 2.168 10 0 CEAERP C[C@H]1CN(C2CC[NH+](C)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062667051 524574692 /nfs/dbraw/zinc/57/46/92/524574692.db2.gz ZWBYSLOBTZMJSU-YOEHRIQHSA-N 2 0 273.424 2.116 10 0 CEAERP C[C@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@@H+]1C ZINC000068812053 524664083 /nfs/dbraw/zinc/66/40/83/524664083.db2.gz RORHBMBAIXLTLA-JSGCOSHPSA-N 2 0 273.380 2.069 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CC[NH+]1CCCC1 ZINC000063050788 525433048 /nfs/dbraw/zinc/43/30/48/525433048.db2.gz ZLJKKLVFVYOAGR-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)s1 ZINC000062963981 525786034 /nfs/dbraw/zinc/78/60/34/525786034.db2.gz UDZHZXYAELWPLY-MBNYWOFBSA-N 2 0 267.442 2.081 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061653674 525960179 /nfs/dbraw/zinc/96/01/79/525960179.db2.gz FCKJNTKUPXYKJC-IAGOWNOFSA-N 2 0 275.440 2.411 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062963916 525980124 /nfs/dbraw/zinc/98/01/24/525980124.db2.gz OUVBVDLRIWLDAQ-BPUTZDHNSA-N 2 0 261.413 2.019 10 0 CEAERP c1cc(C[NH+]2CCSCC2)ccc1C[NH2+]C1CC1 ZINC000052443268 526425343 /nfs/dbraw/zinc/42/53/43/526425343.db2.gz XMRWVHDJVAPQKY-UHFFFAOYSA-N 2 0 262.422 2.487 10 0 CEAERP Cc1oc(CN2CC[NH+](C3CCCC3)CC2)cc1C[NH3+] ZINC000052573498 526771567 /nfs/dbraw/zinc/77/15/67/526771567.db2.gz LTQHMNQNYRGFCJ-UHFFFAOYSA-N 2 0 277.412 2.107 10 0 CEAERP Cc1oc(CN2CCC[N@H+](C)CC2)cc1C[NH2+]C(C)C ZINC000052424185 526772308 /nfs/dbraw/zinc/77/23/08/526772308.db2.gz WEXQYUJYTBXOGU-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1[C@@H](C)[NH3+] ZINC000061655474 526966045 /nfs/dbraw/zinc/96/60/45/526966045.db2.gz OOLWNUYCXRKNGX-KOLCDFICSA-N 2 0 268.430 2.002 10 0 CEAERP [NH3+]Cc1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000062971483 527264055 /nfs/dbraw/zinc/26/40/55/527264055.db2.gz AWHVICHKVWOJGZ-ZDUSSCGKSA-N 2 0 294.830 2.258 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757153618 574511117 /nfs/dbraw/zinc/51/11/17/574511117.db2.gz YHBUVGDXXDPCQK-AWEZNQCLSA-N 2 0 252.402 2.081 10 0 CEAERP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000262480970 625177437 /nfs/dbraw/zinc/17/74/37/625177437.db2.gz JZDBPJYGDGMYAN-VBNZEHGJSA-N 2 0 298.386 2.271 10 0 CEAERP Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000311831381 627702932 /nfs/dbraw/zinc/70/29/32/627702932.db2.gz PDHODLBDSJMHMH-ZNMIVQPWSA-N 2 0 260.381 2.043 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000094074957 628753668 /nfs/dbraw/zinc/75/36/68/628753668.db2.gz PDWGCGPPORRSMO-UHFFFAOYSA-N 2 0 287.407 2.173 10 0 CEAERP Cc1nn(C)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261628919 628952538 /nfs/dbraw/zinc/95/25/38/628952538.db2.gz FEMLKCQLKCXTLA-AEFFLSMTSA-N 2 0 298.434 2.211 10 0 CEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000237004870 629148470 /nfs/dbraw/zinc/14/84/70/629148470.db2.gz BVKLIALFLPULFP-IAQYHMDHSA-N 2 0 277.412 2.369 10 0 CEAERP CN(C)C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000054240194 630696265 /nfs/dbraw/zinc/69/62/65/630696265.db2.gz OGAGSIMUIVIIJO-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000262480963 631017921 /nfs/dbraw/zinc/01/79/21/631017921.db2.gz JZDBPJYGDGMYAN-APHBMKBZSA-N 2 0 298.386 2.271 10 0 CEAERP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000133575260 652667352 /nfs/dbraw/zinc/66/73/52/652667352.db2.gz HGOOOICYFRKZNV-OAHLLOKOSA-N 2 0 287.407 2.045 10 0 CEAERP C[NH+](C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]12 ZINC000503717829 230429242 /nfs/dbraw/zinc/42/92/42/230429242.db2.gz PMMKSRXZXJDXCO-XIRDDKMYSA-N 2 0 292.398 2.224 10 0 CEAERP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000336481067 365583734 /nfs/dbraw/zinc/58/37/34/365583734.db2.gz JGJVFUXVWMPDFA-SAZUREKKSA-N 2 0 266.429 2.287 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC000261562748 282188256 /nfs/dbraw/zinc/18/82/56/282188256.db2.gz WOBMZNDDWCGTMD-ZDUSSCGKSA-N 2 0 251.761 2.233 10 0 CEAERP c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553359 539346895 /nfs/dbraw/zinc/34/68/95/539346895.db2.gz YAFJVZSSYLXNBE-MSOLQXFVSA-N 2 0 286.419 2.476 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576761 343793911 /nfs/dbraw/zinc/79/39/11/343793911.db2.gz JBOZRQSRCAQTKV-CVEARBPZSA-N 2 0 295.471 2.083 10 0 CEAERP OC[C@@H]1C[NH2+]C[C@H]1C1CC[NH+](CC2CCCCC2)CC1 ZINC000169789005 344482429 /nfs/dbraw/zinc/48/24/29/344482429.db2.gz ULXDVWXXPMULSK-IRXDYDNUSA-N 2 0 280.456 2.107 10 0 CEAERP Nc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000306869213 344718485 /nfs/dbraw/zinc/71/84/85/344718485.db2.gz SJFVJIQFLPAAKI-CQSZACIVSA-N 2 0 268.364 2.350 10 0 CEAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCO)C2)CC(C)(C)C1 ZINC000384331188 344828476 /nfs/dbraw/zinc/82/84/76/344828476.db2.gz ADKHKFCDPMGWCE-KFWWJZLASA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]1C[C@H](C)CC(C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000084470004 178892923 /nfs/dbraw/zinc/89/29/23/178892923.db2.gz IJWAHXKLVNZKQD-MZBDJJRSSA-N 2 0 267.461 2.166 10 0 CEAERP CCCC1CC[NH+](CCCC[C@@](C)([NH3+])CO)CC1 ZINC000085210943 178973414 /nfs/dbraw/zinc/97/34/14/178973414.db2.gz SGJVMFWPQCMDTM-OAHLLOKOSA-N 2 0 256.434 2.379 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCC[NH+]1Cc2ccccc2C1 ZINC000085210859 178973860 /nfs/dbraw/zinc/97/38/60/178973860.db2.gz ZHQHUJSEGCYEGF-MRXNPFEDSA-N 2 0 262.397 2.143 10 0 CEAERP C[C@H](C[C@](C)(O)C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000085302087 179011133 /nfs/dbraw/zinc/01/11/33/179011133.db2.gz FMUAZLYWCYEMSZ-DOMZBBRYSA-N 2 0 256.434 2.233 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368421 179038150 /nfs/dbraw/zinc/03/81/50/179038150.db2.gz QICKJQTXKOVNAA-HOTGVXAUSA-N 2 0 297.487 2.330 10 0 CEAERP CC(C)NC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403508 179053140 /nfs/dbraw/zinc/05/31/40/179053140.db2.gz ZRKWABRFSZWVDY-GDBMZVCRSA-N 2 0 295.471 2.144 10 0 CEAERP CC(C)[N@H+](C)CCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085570922 179095833 /nfs/dbraw/zinc/09/58/33/179095833.db2.gz ACZNGPPPIDGMEE-UHFFFAOYSA-N 2 0 278.444 2.167 10 0 CEAERP CC(C)c1nc2c(n1C[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572222 179096839 /nfs/dbraw/zinc/09/68/39/179096839.db2.gz JZTPQFBIPFDIGG-CQSZACIVSA-N 2 0 290.455 2.384 10 0 CEAERP C1C[C@@H]2[C@H](N3CC[NH2+][C@H](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000086145121 179237567 /nfs/dbraw/zinc/23/75/67/179237567.db2.gz MLLCIQAAMVQUNA-GVDBMIGSSA-N 2 0 277.456 2.077 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086143085 179237991 /nfs/dbraw/zinc/23/79/91/179237991.db2.gz PEMWAVNRQTVVTM-QZTJIDSGSA-N 2 0 287.451 2.291 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086153956 179241470 /nfs/dbraw/zinc/24/14/70/179241470.db2.gz WBIJVSRNDJOKFP-XIRDDKMYSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153937 179241507 /nfs/dbraw/zinc/24/15/07/179241507.db2.gz WYVDZCMKVYNDKD-ROUUACIJSA-N 2 0 289.467 2.233 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1CCC[NH+](C)C ZINC000086217776 179249434 /nfs/dbraw/zinc/24/94/34/179249434.db2.gz VNVADRSTBNIORB-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)C1 ZINC000086222999 179251172 /nfs/dbraw/zinc/25/11/72/179251172.db2.gz DOKCNJDIGNYMKW-LZLYRXPVSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225381 179253011 /nfs/dbraw/zinc/25/30/11/179253011.db2.gz RAQJKXGKLWTJRC-BBWFWOEESA-N 2 0 279.472 2.323 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223918 179253806 /nfs/dbraw/zinc/25/38/06/179253806.db2.gz HHVHQNLXXCHFDZ-DJIMGWMZSA-N 2 0 273.424 2.116 10 0 CEAERP CCC[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@H]2CC)CC1 ZINC000086227327 179254133 /nfs/dbraw/zinc/25/41/33/179254133.db2.gz JRYLPLAKOCKINF-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259321 179258125 /nfs/dbraw/zinc/25/81/25/179258125.db2.gz QRDHGLOZGBZUOS-ULQDDVLXSA-N 2 0 279.472 2.179 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259358 179258329 /nfs/dbraw/zinc/25/83/29/179258329.db2.gz FNJLZPVCPZPIQI-GJZGRUSLSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261095 179260104 /nfs/dbraw/zinc/26/01/04/179260104.db2.gz HEFIVWIXRPTKTQ-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261043 179260123 /nfs/dbraw/zinc/26/01/23/179260123.db2.gz FVQFTRMBCBGDCN-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086286972 179264581 /nfs/dbraw/zinc/26/45/81/179264581.db2.gz SGRGPIBLEROGFL-UHFFFAOYSA-N 2 0 265.445 2.079 10 0 CEAERP CCC[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292997 179266216 /nfs/dbraw/zinc/26/62/16/179266216.db2.gz FQVAPDXTDAHQCT-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291572 179266271 /nfs/dbraw/zinc/26/62/71/179266271.db2.gz WVLJDNWROQIARW-ARFHVFGLSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291671 179266404 /nfs/dbraw/zinc/26/64/04/179266404.db2.gz FCVJYIHWMMXMEM-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086291705 179266618 /nfs/dbraw/zinc/26/66/18/179266618.db2.gz RBIKWVHGKAXETO-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086400829 179285301 /nfs/dbraw/zinc/28/53/01/179285301.db2.gz RHYYITNDLOHUQX-RKDXNWHRSA-N 2 0 275.215 2.480 10 0 CEAERP CC(C)C[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443967 179293752 /nfs/dbraw/zinc/29/37/52/179293752.db2.gz RWVJCGAVMVLVQM-LBPRGKRZSA-N 2 0 294.468 2.257 10 0 CEAERP CN(CC[NH+]1CCCC1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444098 179293790 /nfs/dbraw/zinc/29/37/90/179293790.db2.gz HJVISDCNSQKFOC-NSHDSACASA-N 2 0 280.441 2.011 10 0 CEAERP C[C@H]1CCC[C@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000086677106 179319450 /nfs/dbraw/zinc/31/94/50/179319450.db2.gz XCGIHNXESYOSDT-GOEBONIOSA-N 2 0 265.445 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835481 179349674 /nfs/dbraw/zinc/34/96/74/179349674.db2.gz OSMAPIUUFDZKTO-WLYUNCDWSA-N 2 0 254.418 2.144 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086819478 179348494 /nfs/dbraw/zinc/34/84/94/179348494.db2.gz TVVRXSICLKGDFS-MRXNPFEDSA-N 2 0 277.412 2.057 10 0 CEAERP CCOC(=O)C1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818800 179346430 /nfs/dbraw/zinc/34/64/30/179346430.db2.gz JTSNUFJEDWGOHI-SLTAFYQDSA-N 2 0 282.428 2.182 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818559 179347097 /nfs/dbraw/zinc/34/70/97/179347097.db2.gz JMAAWMPIOYBSJO-GXTWGEPZSA-N 2 0 290.411 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847657 179356178 /nfs/dbraw/zinc/35/61/78/179356178.db2.gz GLPKTWSPBVSRMJ-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086847004 179356572 /nfs/dbraw/zinc/35/65/72/179356572.db2.gz MRSBNQCAWKEZDL-HNNXBMFYSA-N 2 0 281.469 2.383 10 0 CEAERP CCN(Cc1ccco1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847553 179356682 /nfs/dbraw/zinc/35/66/82/179356682.db2.gz DSYLSQSOYJSVNF-MRXNPFEDSA-N 2 0 279.428 2.305 10 0 CEAERP CCN(Cc1ccco1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847556 179356739 /nfs/dbraw/zinc/35/67/39/179356739.db2.gz DSYLSQSOYJSVNF-INIZCTEOSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[NH+]1CCC(N[C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086836816 179351822 /nfs/dbraw/zinc/35/18/22/179351822.db2.gz QDOAMDAWERVTIW-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC2CC[NH+](CC)CC2)CC1 ZINC000086842257 179353657 /nfs/dbraw/zinc/35/36/57/179353657.db2.gz SJAKQFLXSMEDLD-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843123 179353792 /nfs/dbraw/zinc/35/37/92/179353792.db2.gz LVIGMCHZKATPPX-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000086850994 179359346 /nfs/dbraw/zinc/35/93/46/179359346.db2.gz GVIMDSHFWQSFOB-OWCLPIDISA-N 2 0 267.461 2.453 10 0 CEAERP COCC[N@H+](C1CC1)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891075 179366011 /nfs/dbraw/zinc/36/60/11/179366011.db2.gz JSEJGLDQLUYMCY-HIFRSBDPSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC)CC2)CC1 ZINC000086910433 179367281 /nfs/dbraw/zinc/36/72/81/179367281.db2.gz CCOYOQGYSIZWRG-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@](C)(O)CC)CC1 ZINC000087012009 179379459 /nfs/dbraw/zinc/37/94/59/179379459.db2.gz FGBFXXQVHRVBOP-UKRRQHHQSA-N 2 0 256.434 2.248 10 0 CEAERP CN(CCC[NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128845452 187394464 /nfs/dbraw/zinc/39/44/64/187394464.db2.gz PJVJTUGMAJFDGA-OAHLLOKOSA-N 2 0 261.413 2.245 10 0 CEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1ccc(SC)cc1 ZINC000087912755 179520401 /nfs/dbraw/zinc/52/04/01/179520401.db2.gz GGWKXRDSTASBBY-HNNXBMFYSA-N 2 0 281.469 2.340 10 0 CEAERP CCc1cc(C[NH+]2CCC([C@H](C)[NH2+]C)CC2)n(CC)n1 ZINC000089180629 179744754 /nfs/dbraw/zinc/74/47/54/179744754.db2.gz RLDBFUQYUXGOIA-ZDUSSCGKSA-N 2 0 278.444 2.285 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000400563632 233179451 /nfs/dbraw/zinc/17/94/51/233179451.db2.gz IKFLCBGTMMYVCS-HLLBOEOZSA-N 2 0 276.424 2.427 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335279 233176244 /nfs/dbraw/zinc/17/62/44/233176244.db2.gz DARCQEMPPFRNIQ-TZMCWYRMSA-N 2 0 250.361 2.264 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400331542 233176321 /nfs/dbraw/zinc/17/63/21/233176321.db2.gz BZYXDPXNTBCDDZ-CJNGLKHVSA-N 2 0 269.392 2.365 10 0 CEAERP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369573 233177476 /nfs/dbraw/zinc/17/74/76/233177476.db2.gz TUTXEYQYSFFBPX-JQHSSLGASA-N 2 0 287.451 2.096 10 0 CEAERP Cc1csc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000089483536 179801401 /nfs/dbraw/zinc/80/14/01/179801401.db2.gz HJZBJXGMXDZTQC-TUAOUCFPSA-N 2 0 253.415 2.477 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566745 180006239 /nfs/dbraw/zinc/00/62/39/180006239.db2.gz PETLMKQMJORPTI-OCCSQVGLSA-N 2 0 268.426 2.161 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566664 180006283 /nfs/dbraw/zinc/00/62/83/180006283.db2.gz MSOYEZYYJSNWCO-ZIAGYGMSSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566744 180006560 /nfs/dbraw/zinc/00/65/60/180006560.db2.gz PETLMKQMJORPTI-TZMCWYRMSA-N 2 0 268.426 2.161 10 0 CEAERP C[C@]1(C[NH+]2CCC(Cc3ccccc3)CC2)COC[C@H]1[NH3+] ZINC000090606526 180011257 /nfs/dbraw/zinc/01/12/57/180011257.db2.gz BQCNMDZPIYTUQU-MSOLQXFVSA-N 2 0 288.435 2.305 10 0 CEAERP CCC1(CC)CC[NH+](C[C@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090621039 180013600 /nfs/dbraw/zinc/01/36/00/180013600.db2.gz UXMLQYIXUXDWOI-ZIAGYGMSSA-N 2 0 254.418 2.252 10 0 CEAERP CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H]2C2CC[NH2+]CC2)C1 ZINC000090694476 180026476 /nfs/dbraw/zinc/02/64/76/180026476.db2.gz MJIVMLHCMMNRHT-BZUAXINKSA-N 2 0 266.429 2.408 10 0 CEAERP CC(C)[N@@H+]1CCO[C@@H](CSc2cccc(C[NH3+])c2)C1 ZINC000090870472 180048920 /nfs/dbraw/zinc/04/89/20/180048920.db2.gz KNJXGBDWGGDILE-CQSZACIVSA-N 2 0 280.437 2.347 10 0 CEAERP C[NH2+]CC[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876274 180051820 /nfs/dbraw/zinc/05/18/20/180051820.db2.gz VPNMDIPFWVTSDF-HOTGVXAUSA-N 2 0 274.408 2.454 10 0 CEAERP CC(C)[N@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879151 180052971 /nfs/dbraw/zinc/05/29/71/180052971.db2.gz DDXBHFKXUXFSQP-CQSZACIVSA-N 2 0 266.360 2.188 10 0 CEAERP CC[N@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893374 180055098 /nfs/dbraw/zinc/05/50/98/180055098.db2.gz BZSXMBOHHVTNRM-MFKMUULPSA-N 2 0 279.359 2.023 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[N@H+](CCC[NH3+])C1CC1)O2 ZINC000090896979 180056724 /nfs/dbraw/zinc/05/67/24/180056724.db2.gz JVJQLGIPBXDYCT-HNNXBMFYSA-N 2 0 260.381 2.112 10 0 CEAERP [NH3+]CC1CC[NH+](C[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900064 180058848 /nfs/dbraw/zinc/05/88/48/180058848.db2.gz VMJJWWONDWUZJW-AWEZNQCLSA-N 2 0 280.799 2.314 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090903303 180059846 /nfs/dbraw/zinc/05/98/46/180059846.db2.gz SETDFYPUWCOALG-ZDUSSCGKSA-N 2 0 268.788 2.185 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958610 180074952 /nfs/dbraw/zinc/07/49/52/180074952.db2.gz JGKXAZFPMNPHGU-YPMHNXCESA-N 2 0 282.457 2.079 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019726 180087918 /nfs/dbraw/zinc/08/79/18/180087918.db2.gz AFFWBZNKHDRQOG-GFCCVEGCSA-N 2 0 258.369 2.124 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000091322693 180134502 /nfs/dbraw/zinc/13/45/02/180134502.db2.gz CKLFGDMMQHEEHN-ARFHVFGLSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)n1cncc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000091273006 180117643 /nfs/dbraw/zinc/11/76/43/180117643.db2.gz JNCBCRKGKDKMCS-MRXNPFEDSA-N 2 0 276.428 2.428 10 0 CEAERP CC[NH2+][C@@H](CCN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091428991 180153223 /nfs/dbraw/zinc/15/32/23/180153223.db2.gz QBSNPAZBRBDDCC-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432955 180153701 /nfs/dbraw/zinc/15/37/01/180153701.db2.gz GFRLIZHNSHSHRJ-LSDHHAIUSA-N 2 0 255.450 2.035 10 0 CEAERP CCCCCC[NH2+]CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091432964 180153770 /nfs/dbraw/zinc/15/37/70/180153770.db2.gz AARBLYZYTLPCBB-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091449255 180157523 /nfs/dbraw/zinc/15/75/23/180157523.db2.gz FVTMTELPZSOTRA-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]CC[C@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091467970 180164206 /nfs/dbraw/zinc/16/42/06/180164206.db2.gz FQIGHIILSXUQNU-HOTGVXAUSA-N 2 0 262.397 2.013 10 0 CEAERP COc1ccccc1C[NH+]1CCC(C[NH3+])(SC)CC1 ZINC000091470816 180164958 /nfs/dbraw/zinc/16/49/58/180164958.db2.gz VHEGQDKSDXNCPF-UHFFFAOYSA-N 2 0 280.437 2.352 10 0 CEAERP CCOc1cccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091392531 180144626 /nfs/dbraw/zinc/14/46/26/180144626.db2.gz MJCBLAYYJPPEMO-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392314 180144789 /nfs/dbraw/zinc/14/47/89/180144789.db2.gz VEBYLJDQUQYSRT-KKUMJFAQSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393129 180145375 /nfs/dbraw/zinc/14/53/75/180145375.db2.gz BQTRMKFDPQVPKI-VNQPRFMTSA-N 2 0 261.413 2.101 10 0 CEAERP CCc1ccc([C@@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393934 180145465 /nfs/dbraw/zinc/14/54/65/180145465.db2.gz MXASCUYCAFSSBH-IRXDYDNUSA-N 2 0 275.440 2.275 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394054 180145676 /nfs/dbraw/zinc/14/56/76/180145676.db2.gz FYINAIPIFUCHEG-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)[C@H]1CCCN(C2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000091393337 180145689 /nfs/dbraw/zinc/14/56/89/180145689.db2.gz BCHTYTVEXCWSFD-AWEZNQCLSA-N 2 0 267.461 2.310 10 0 CEAERP COc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393576 180145706 /nfs/dbraw/zinc/14/57/06/180145706.db2.gz RXPMIUPKMZEXPL-QRTARXTBSA-N 2 0 291.439 2.110 10 0 CEAERP COc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091394385 180145968 /nfs/dbraw/zinc/14/59/68/180145968.db2.gz GJPSBFRSWFHYSK-KMFMINBZSA-N 2 0 291.439 2.110 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CCC([NH+](C)C)CC1 ZINC000091402887 180147560 /nfs/dbraw/zinc/14/75/60/180147560.db2.gz IVZRVYAQLNYQKF-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CCCN(CC[NH+](C)C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091420447 180150808 /nfs/dbraw/zinc/15/08/08/180150808.db2.gz BVMKJXBLSVMTKQ-UHFFFAOYSA-N 2 0 293.459 2.000 10 0 CEAERP C[NH2+][C@@H](C1CCOCC1)C(C)(C)[NH+]1CCCCC1 ZINC000091564702 180193319 /nfs/dbraw/zinc/19/33/19/180193319.db2.gz CKAKVQHCQUMTKW-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)([C@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567570 180194894 /nfs/dbraw/zinc/19/48/94/180194894.db2.gz UOKBFMOEDMYCQI-OAHLLOKOSA-N 2 0 277.412 2.222 10 0 CEAERP CC[C@@](C)([C@H]([NH2+]C)C1CCOCC1)[NH+]1CCCC1 ZINC000091605994 180204723 /nfs/dbraw/zinc/20/47/23/180204723.db2.gz OCOOJIJZSPSBPG-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@](C)([C@@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608559 180205203 /nfs/dbraw/zinc/20/52/03/180205203.db2.gz CGTKBMWBUZIQIS-HOTGVXAUSA-N 2 0 277.412 2.222 10 0 CEAERP CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091521037 180178059 /nfs/dbraw/zinc/17/80/59/180178059.db2.gz GHIQCMGRJCZTQF-HZPDHXFCSA-N 2 0 262.397 2.218 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542336 180184468 /nfs/dbraw/zinc/18/44/68/180184468.db2.gz FRGZZLIOAJEFFD-CVEARBPZSA-N 2 0 295.471 2.084 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544347 180185689 /nfs/dbraw/zinc/18/56/89/180185689.db2.gz AOPYWDIOTZBBIW-HUUCEWRRSA-N 3 0 265.445 2.064 10 0 CEAERP CC[NH2+][C@H](C1CCOCC1)C1([NH+](C)C)CCCC1 ZINC000091637908 180212122 /nfs/dbraw/zinc/21/21/22/180212122.db2.gz UBMZEFKODYBCQN-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1sc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723140 180241524 /nfs/dbraw/zinc/24/15/24/180241524.db2.gz PJMZBHANTBIVBA-CHWSQXEVSA-N 2 0 295.452 2.487 10 0 CEAERP CC[NH2+]Cc1sc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723129 180242135 /nfs/dbraw/zinc/24/21/35/180242135.db2.gz PVILBYSFMCZIRY-NEPJUHHUSA-N 2 0 281.425 2.097 10 0 CEAERP CC[C@H]1CCCCN1C(=O)C[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850806 180272239 /nfs/dbraw/zinc/27/22/39/180272239.db2.gz OLBGJQWELQKOJS-PCKAHOCUSA-N 2 0 295.471 2.369 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870123 180276966 /nfs/dbraw/zinc/27/69/66/180276966.db2.gz QDDINPRPUFAQDD-QQFBHYJXSA-N 2 0 297.487 2.486 10 0 CEAERP CC[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871214 180277066 /nfs/dbraw/zinc/27/70/66/180277066.db2.gz YBAPTFZJTLQDPF-PFSRBDOWSA-N 2 0 254.418 2.406 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000091870318 180277208 /nfs/dbraw/zinc/27/72/08/180277208.db2.gz AYBMTQRLSHBKEE-UHFFFAOYSA-N 3 0 267.461 2.325 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H](C)c2cn(C)nc2C)CC1 ZINC000091871289 180277268 /nfs/dbraw/zinc/27/72/68/180277268.db2.gz HXJLRJHWLMLOFQ-IYXRBSQSSA-N 2 0 264.417 2.252 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCc2cccnc2)CC1 ZINC000091870286 180277302 /nfs/dbraw/zinc/27/73/02/180277302.db2.gz NPKXKHUTHQETIS-UHFFFAOYSA-N 2 0 261.413 2.477 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC[C@@H]2CCCO2)CC1 ZINC000091870436 180277463 /nfs/dbraw/zinc/27/74/63/180277463.db2.gz IVANZAFJGVSVNJ-NRXISQOPSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CCCC(=O)N(C)C)CC1 ZINC000091870082 180277513 /nfs/dbraw/zinc/27/75/13/180277513.db2.gz XZRJTMUHVMZBPC-UHFFFAOYSA-N 2 0 283.460 2.097 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000091872730 180277938 /nfs/dbraw/zinc/27/79/38/180277938.db2.gz GZZVLFDAGJFNOY-HWOWSKLDSA-N 3 0 267.461 2.323 10 0 CEAERP CC[N@@H+]1CCO[C@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000092060195 180315626 /nfs/dbraw/zinc/31/56/26/180315626.db2.gz LTYQPZVJKKHTJR-HNNXBMFYSA-N 2 0 279.428 2.097 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092209102 180344744 /nfs/dbraw/zinc/34/47/44/180344744.db2.gz VWRUTIQZLLKSBZ-KPXOXKRLSA-N 2 0 251.399 2.314 10 0 CEAERP C[C@@H](C[NH2+]C[C@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000092300896 180358416 /nfs/dbraw/zinc/35/84/16/180358416.db2.gz WFOOHCSVNCRPHA-GJZGRUSLSA-N 2 0 274.408 2.484 10 0 CEAERP CC(C)[N@H+](CCC(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302321 180359384 /nfs/dbraw/zinc/35/93/84/180359384.db2.gz HBWUMEDDCHLJER-GFCCVEGCSA-N 2 0 261.369 2.199 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302585 180359594 /nfs/dbraw/zinc/35/95/94/180359594.db2.gz XTYRNXDYCSAFDK-HZSPNIEDSA-N 2 0 260.381 2.222 10 0 CEAERP CC[N@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302312 180359703 /nfs/dbraw/zinc/35/97/03/180359703.db2.gz OJPQZXIITXIQAM-VXGBXAGGSA-N 2 0 261.369 2.057 10 0 CEAERP CC(C)C[N@H+](CCC(N)=[NH2+])C[C@@H]1COc2ccccc21 ZINC000092302327 180359732 /nfs/dbraw/zinc/35/97/32/180359732.db2.gz PGRUJVUPMBKNJE-CYBMUJFWSA-N 2 0 275.396 2.447 10 0 CEAERP CCc1nc(CC[NH+](CC)CC)nc(CC)c1CC[NH2+]C ZINC000092318442 180361660 /nfs/dbraw/zinc/36/16/60/180361660.db2.gz WDFLWBCIVNWTTN-UHFFFAOYSA-N 2 0 292.471 2.248 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000092419013 180382046 /nfs/dbraw/zinc/38/20/46/180382046.db2.gz XXWDVXYCWGACHB-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092419482 180382619 /nfs/dbraw/zinc/38/26/19/180382619.db2.gz NDUCNQHIXLRBFS-CVEARBPZSA-N 2 0 274.412 2.182 10 0 CEAERP Cc1cccc(C[N@@H+](C)Cc2ccccc2C[NH3+])n1 ZINC000092427866 180383793 /nfs/dbraw/zinc/38/37/93/180383793.db2.gz UAIGGGRUTWZMGL-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000109603712 186266537 /nfs/dbraw/zinc/26/65/37/186266537.db2.gz JGJWPTBJJACORE-CYBMUJFWSA-N 2 0 294.370 2.060 10 0 CEAERP Cc1cc(C)c(C[NH+]2CCN([C@H](C)C[NH3+])CC2)c(C)c1 ZINC000109458402 186254525 /nfs/dbraw/zinc/25/45/25/186254525.db2.gz PEBHVWKSBWHRAC-MRXNPFEDSA-N 2 0 275.440 2.077 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705220 186314929 /nfs/dbraw/zinc/31/49/29/186314929.db2.gz ATTKKHCDIYAISO-IUODEOHRSA-N 2 0 279.403 2.240 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711976 186315461 /nfs/dbraw/zinc/31/54/61/186315461.db2.gz WQQLLVVPASEGCT-OAHLLOKOSA-N 2 0 255.450 2.166 10 0 CEAERP C[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110712592 186315485 /nfs/dbraw/zinc/31/54/85/186315485.db2.gz LEBOANQTADBOGJ-XYPHTWIQSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@H]1CN(C2(C[NH3+])CCCCCCC2)CC[N@@H+]1C ZINC000110710827 186316018 /nfs/dbraw/zinc/31/60/18/186316018.db2.gz KHYAWJSDIKJCRK-HNNXBMFYSA-N 2 0 267.461 2.454 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC[N@@H+]1C ZINC000110715781 186316248 /nfs/dbraw/zinc/31/62/48/186316248.db2.gz XPKYFOBHMHZREP-NXHRZFHOSA-N 2 0 287.451 2.288 10 0 CEAERP C[N@@H+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1(C)C ZINC000110722424 186317993 /nfs/dbraw/zinc/31/79/93/186317993.db2.gz DZAUBQPZCJPLQK-AWEZNQCLSA-N 2 0 274.412 2.080 10 0 CEAERP C[N@@H+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1(C)C ZINC000110760340 186322674 /nfs/dbraw/zinc/32/26/74/186322674.db2.gz BKJXLZOBTSFRSJ-UHFFFAOYSA-N 2 0 296.484 2.430 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[N@H+](C)[C@@H](CC)C2)nc1C ZINC000110760257 186323611 /nfs/dbraw/zinc/32/36/11/186323611.db2.gz QGGPXUNLTPRVNT-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP Cc1oc(CN(C)CC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000111149818 186360588 /nfs/dbraw/zinc/36/05/88/186360588.db2.gz YMIYKNAYQYAWPK-UHFFFAOYSA-N 2 0 267.417 2.079 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149715 186361168 /nfs/dbraw/zinc/36/11/68/186361168.db2.gz SUKAVSHERFYGNE-LBPRGKRZSA-N 2 0 278.400 2.122 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111157495 186361775 /nfs/dbraw/zinc/36/17/75/186361775.db2.gz KRZBTKLBNJQNDQ-VHDGCEQUSA-N 2 0 254.418 2.108 10 0 CEAERP CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)CCC[NH+](C)C ZINC000111133865 186355897 /nfs/dbraw/zinc/35/58/97/186355897.db2.gz GGVMGNGDTXBJNP-HUUCEWRRSA-N 2 0 257.466 2.414 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CC[NH+](C)C ZINC000111129635 186356229 /nfs/dbraw/zinc/35/62/29/186356229.db2.gz CVAQNIWYKYUNPK-HZPDHXFCSA-N 2 0 263.429 2.267 10 0 CEAERP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C ZINC000111130920 186356242 /nfs/dbraw/zinc/35/62/42/186356242.db2.gz LPQCLIBDUUAOCG-QWHCGFSZSA-N 2 0 269.458 2.328 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)c1 ZINC000111133666 186356385 /nfs/dbraw/zinc/35/63/85/186356385.db2.gz ZHASGUGLLCEVEN-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1C ZINC000111134605 186357026 /nfs/dbraw/zinc/35/70/26/186357026.db2.gz QATSWPXJJKWZRG-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CCC[NH+](C)C ZINC000111136473 186357144 /nfs/dbraw/zinc/35/71/44/186357144.db2.gz OYFKJSVMELZIPR-ZBFHGGJFSA-N 2 0 263.429 2.219 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)CCC[NH+](C)C ZINC000111135965 186358021 /nfs/dbraw/zinc/35/80/21/186358021.db2.gz HBKAROUHMCLFEV-HUUCEWRRSA-N 2 0 257.466 2.427 10 0 CEAERP C[NH2+]CC1(CN(C)CCC[NH+](C)C)CCCCC1 ZINC000111148038 186359583 /nfs/dbraw/zinc/35/95/83/186359583.db2.gz OATVSEUNWWDEFI-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP C[N@H+](C[C@@H]1CCCOC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172167 186365827 /nfs/dbraw/zinc/36/58/27/186365827.db2.gz PXZKBOADNOZMEH-RDJZCZTQSA-N 2 0 298.471 2.140 10 0 CEAERP CCOC1CC[NH+](C[C@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111326106 186398673 /nfs/dbraw/zinc/39/86/73/186398673.db2.gz XYGWORYEEQLBHI-QGZVFWFLSA-N 2 0 296.455 2.036 10 0 CEAERP CCOC1CC[NH+](C[C@@]2(C[NH2+]C(C)C)CCCOC2)CC1 ZINC000111326118 186398913 /nfs/dbraw/zinc/39/89/13/186398913.db2.gz UBGMJMSCBVMNKM-KRWDZBQOSA-N 2 0 298.471 2.282 10 0 CEAERP CC[N@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324780 186399036 /nfs/dbraw/zinc/39/90/36/186399036.db2.gz QQERPWURCPDVMY-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP CC[N@H+](C[C@]1(C[NH2+]C(C)C)CCCOC1)C1CC1 ZINC000111324696 186399218 /nfs/dbraw/zinc/39/92/18/186399218.db2.gz CHPZXZLNFZBAJP-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C[C@]1(C[NH+]2CCCCCCC2)CCCOC1 ZINC000111324477 186399232 /nfs/dbraw/zinc/39/92/32/186399232.db2.gz CAVUKCVQASQPKF-HNNXBMFYSA-N 2 0 254.418 2.269 10 0 CEAERP C[NH2+]C[C@]1(C[NH+]2CCC(C)(C)CC2)CCCOC1 ZINC000111329055 186399709 /nfs/dbraw/zinc/39/97/09/186399709.db2.gz JLUFRRRUXUPECJ-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccccc2C)CC[N@@H+]1C ZINC000111237354 186373571 /nfs/dbraw/zinc/37/35/71/186373571.db2.gz ZNVDKBYNSNNWRB-ZBFHGGJFSA-N 2 0 261.413 2.021 10 0 CEAERP CCC[N@H+](CC)C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059218 540079436 /nfs/dbraw/zinc/07/94/36/540079436.db2.gz MEKLRAFCKAIIHF-MRXNPFEDSA-N 2 0 262.397 2.098 10 0 CEAERP C[C@@H]1C[N@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840212 367581119 /nfs/dbraw/zinc/58/11/19/367581119.db2.gz ASJAQVGCMHGQES-OLZOCXBDSA-N 2 0 250.411 2.305 10 0 CEAERP C[C@@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841223 367583505 /nfs/dbraw/zinc/58/35/05/367583505.db2.gz ZVQNJLZWQDDZII-DOMZBBRYSA-N 2 0 255.365 2.261 10 0 CEAERP COCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572612610 299384736 /nfs/dbraw/zinc/38/47/36/299384736.db2.gz LVLJIDWQQFXXDJ-UONOGXRCSA-N 2 0 262.397 2.311 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC(C)(C)O ZINC000634576584 368725885 /nfs/dbraw/zinc/72/58/85/368725885.db2.gz VIDMNOYCLXHQAW-HOCLYGCPSA-N 2 0 276.424 2.115 10 0 CEAERP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231453839 370479289 /nfs/dbraw/zinc/47/92/89/370479289.db2.gz ZKOLCYYIDAENNV-INIZCTEOSA-N 2 0 284.407 2.446 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000236688269 189838964 /nfs/dbraw/zinc/83/89/64/189838964.db2.gz ZUDGHJHLAHQIOO-INIZCTEOSA-N 2 0 295.471 2.003 10 0 CEAERP C[C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000251636454 371409787 /nfs/dbraw/zinc/40/97/87/371409787.db2.gz ITENVVWXTWJWCX-MAUKXSAKSA-N 2 0 287.451 2.320 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695771 371703729 /nfs/dbraw/zinc/70/37/29/371703729.db2.gz BIKQNICHZZKCAU-GDBMZVCRSA-N 3 0 276.428 2.082 10 0 CEAERP C[C@H](C[NH2+]C1CC[NH2+]CC1)COCc1ccccc1 ZINC000389931497 375309440 /nfs/dbraw/zinc/30/94/40/375309440.db2.gz DXYCSHJAVSJQDN-CQSZACIVSA-N 2 0 262.397 2.181 10 0 CEAERP CC(C)[C@@H]1C[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)CCO1 ZINC000311191055 376655795 /nfs/dbraw/zinc/65/57/95/376655795.db2.gz FQAYKILZOCYDTO-APIJFGDWSA-N 2 0 254.418 2.107 10 0 CEAERP FC(F)(F)CSCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423017866 376933850 /nfs/dbraw/zinc/93/38/50/376933850.db2.gz PRFHYKYGWDYLOP-SECBINFHSA-N 2 0 256.337 2.014 10 0 CEAERP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000564825542 377466513 /nfs/dbraw/zinc/46/65/13/377466513.db2.gz OQVWLLBBINBHIF-ZJUUUORDSA-N 2 0 270.364 2.260 10 0 CEAERP CCC[NH2+]Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)o1 ZINC000092673955 184620137 /nfs/dbraw/zinc/62/01/37/184620137.db2.gz NCWLPYVQMXSEID-AWEZNQCLSA-N 2 0 279.428 2.305 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C1CCC(C[NH3+])CC1)[NH+](C)C ZINC000093425567 184674135 /nfs/dbraw/zinc/67/41/35/184674135.db2.gz RSSVLHSRXDCPML-BCLQGDPASA-N 2 0 297.487 2.234 10 0 CEAERP COC[C@H]1CC[N@H+](CCC[C@@H](CC[NH3+])C(C)C)C1 ZINC000081069262 177765077 /nfs/dbraw/zinc/76/50/77/177765077.db2.gz HOSASCAPNGDHOD-GJZGRUSLSA-N 2 0 256.434 2.356 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[N@H+](CC)CC1CC1 ZINC000093598454 184694701 /nfs/dbraw/zinc/69/47/01/184694701.db2.gz IOGRBBMPULLZRL-HZPDHXFCSA-N 2 0 268.445 2.249 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000093730948 184710283 /nfs/dbraw/zinc/71/02/83/184710283.db2.gz WGCBLZMTBQXGAT-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H]1[C@@H](CN2CC[NH+](CC3CC3)CC2)CCC1(C)C ZINC000094318147 184779951 /nfs/dbraw/zinc/77/99/51/184779951.db2.gz GJNLBHIPBBAABK-CVEARBPZSA-N 2 0 279.472 2.038 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCCC[NH3+] ZINC000094462037 184805361 /nfs/dbraw/zinc/80/53/61/184805361.db2.gz MSFPSHZDCNATIB-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](CC)CCO)CC1 ZINC000094948805 184901950 /nfs/dbraw/zinc/90/19/50/184901950.db2.gz ZYNYBCAVCXXNDZ-HUUCEWRRSA-N 2 0 270.461 2.495 10 0 CEAERP CC[C@@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000087535238 135050368 /nfs/dbraw/zinc/05/03/68/135050368.db2.gz CNXHNEPOMCATLH-HNNXBMFYSA-N 2 0 261.413 2.102 10 0 CEAERP C[C@H]([NH3+])Cc1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444574 135089112 /nfs/dbraw/zinc/08/91/12/135089112.db2.gz HISYOXXVTXEVLG-GOEBONIOSA-N 2 0 273.424 2.251 10 0 CEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324462837 394549427 /nfs/dbraw/zinc/54/94/27/394549427.db2.gz YMPKQIHXBFLIEQ-MCIONIFRSA-N 2 0 256.434 2.294 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@@H]12 ZINC000261629288 394604875 /nfs/dbraw/zinc/60/48/75/394604875.db2.gz VRYBZPCZSAEOJO-MRVWCRGKSA-N 2 0 253.349 2.408 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000380304654 395167932 /nfs/dbraw/zinc/16/79/32/395167932.db2.gz IRBYMDOHNBYHQE-CQSZACIVSA-N 2 0 275.396 2.219 10 0 CEAERP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292401 395173325 /nfs/dbraw/zinc/17/33/25/395173325.db2.gz JZAQESWTZLKLBK-ORQFMDKSSA-N 2 0 274.408 2.228 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OCC)cc2)CC1 ZINC000020179715 171043983 /nfs/dbraw/zinc/04/39/83/171043983.db2.gz DAPXFOAHVAZWAO-KRWDZBQOSA-N 2 0 291.439 2.113 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1 ZINC000020179469 171044490 /nfs/dbraw/zinc/04/44/90/171044490.db2.gz HXSMEPPIXYFEEN-QGZVFWFLSA-N 2 0 273.424 2.022 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000020315991 171146442 /nfs/dbraw/zinc/14/64/42/171146442.db2.gz SXUJFCDQJPAQIL-LSDHHAIUSA-N 2 0 285.476 2.247 10 0 CEAERP Cc1ccc(Cl)c(OC[C@@H](CC[NH3+])[NH+](C)C)c1 ZINC000020401679 171182563 /nfs/dbraw/zinc/18/25/63/171182563.db2.gz KNGGWCRMQDBQCA-LLVKDONJSA-N 2 0 256.777 2.306 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022210448 171373291 /nfs/dbraw/zinc/37/32/91/171373291.db2.gz LPLYJPZFDPGWCF-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000035176681 172029317 /nfs/dbraw/zinc/02/93/17/172029317.db2.gz JLWZJARHICSCFD-UHFFFAOYSA-N 2 0 267.461 2.453 10 0 CEAERP C[C@H]1C[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000037496829 173235371 /nfs/dbraw/zinc/23/53/71/173235371.db2.gz PSGGHFNQYMKNPH-GJZGRUSLSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096072 174110514 /nfs/dbraw/zinc/11/05/14/174110514.db2.gz XFNQGPZMZMOJHR-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098046 174112932 /nfs/dbraw/zinc/11/29/32/174112932.db2.gz RKFMIEFCFBFHFB-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000040622541 174355835 /nfs/dbraw/zinc/35/58/35/174355835.db2.gz RINOLQLNPRSOCT-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040670615 174368744 /nfs/dbraw/zinc/36/87/44/174368744.db2.gz DZWYLYFBMTUBQT-DOTOQJQBSA-N 2 0 297.487 2.391 10 0 CEAERP CC[C@@H](C)[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693715 174377986 /nfs/dbraw/zinc/37/79/86/174377986.db2.gz LXLZSFPARDRJRS-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000040735929 174389324 /nfs/dbraw/zinc/38/93/24/174389324.db2.gz DLIUAWNSRRAUNC-ZFWWWQNUSA-N 2 0 262.397 2.255 10 0 CEAERP CCC[N@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CN2CCC1CC2 ZINC000040747660 174392898 /nfs/dbraw/zinc/39/28/98/174392898.db2.gz GZCUHFGKJNBRLO-FCLJQHQZSA-N 2 0 277.456 2.076 10 0 CEAERP COc1ccc([C@@H](C[NH3+])CC[NH+](C)C)cc1Cl ZINC000041327450 174523827 /nfs/dbraw/zinc/52/38/27/174523827.db2.gz QQJSBWKPKSMQKN-LLVKDONJSA-N 2 0 256.777 2.343 10 0 CEAERP C[NH+](C)CC1CC[NH+](C2(CN)CCCCCC2)CC1 ZINC000042392201 174706877 /nfs/dbraw/zinc/70/68/77/174706877.db2.gz WCYYVRRSKWBGCH-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335799 175011086 /nfs/dbraw/zinc/01/10/86/175011086.db2.gz JADZCCVKNWGSAK-HOCLYGCPSA-N 2 0 277.412 2.086 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](CC)CC1 ZINC000043336251 175011864 /nfs/dbraw/zinc/01/18/64/175011864.db2.gz PUEIOCFDGPDKAU-GOEBONIOSA-N 2 0 279.428 2.474 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](CC)CC1 ZINC000043336250 175012136 /nfs/dbraw/zinc/01/21/36/175012136.db2.gz PUEIOCFDGPDKAU-ZBFHGGJFSA-N 2 0 279.428 2.474 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043336247 175012180 /nfs/dbraw/zinc/01/21/80/175012180.db2.gz GFWFPFLLBUJBJO-IUODEOHRSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335944 175012351 /nfs/dbraw/zinc/01/23/51/175012351.db2.gz PPZNCLRGAZBDOL-ZBFHGGJFSA-N 2 0 279.428 2.332 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000043348523 175018819 /nfs/dbraw/zinc/01/88/19/175018819.db2.gz XAWYURZSTMNVOQ-IRXDYDNUSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N(CC[NH+](C)C)CC(C)C ZINC000043354821 175022697 /nfs/dbraw/zinc/02/26/97/175022697.db2.gz NPDOSACJLVIANA-IRXDYDNUSA-N 2 0 292.471 2.380 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[NH+](C(C)C)CC2)c1 ZINC000043394174 175034992 /nfs/dbraw/zinc/03/49/92/175034992.db2.gz CLTQIZLDEGKDDK-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc2ccccc2c1 ZINC000043810423 175109795 /nfs/dbraw/zinc/10/97/95/175109795.db2.gz WXZWIHWHAWFPKX-GOSISDBHSA-N 2 0 283.419 2.348 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815262 175111634 /nfs/dbraw/zinc/11/16/34/175111634.db2.gz YLQUCCQMXWAAPQ-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000043818237 175113392 /nfs/dbraw/zinc/11/33/92/175113392.db2.gz CRUHXEXWLMSRTL-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897057 175120016 /nfs/dbraw/zinc/12/00/16/175120016.db2.gz UUDREJYXVLVRRE-PMPSAXMXSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1C ZINC000043896949 175120104 /nfs/dbraw/zinc/12/01/04/175120104.db2.gz HNRJQIJXXRIALQ-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1C[N@H+](C)CCOC ZINC000043915643 175124943 /nfs/dbraw/zinc/12/49/43/175124943.db2.gz XQIJIFQAVBCNDJ-CYBMUJFWSA-N 2 0 280.412 2.444 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967620 175128841 /nfs/dbraw/zinc/12/88/41/175128841.db2.gz SWIPXXARLGGXLM-ZWKOTPCHSA-N 2 0 285.435 2.042 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967681 175129091 /nfs/dbraw/zinc/12/90/91/175129091.db2.gz ZEXPHABWMASMSN-HZPDHXFCSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763730 175247941 /nfs/dbraw/zinc/24/79/41/175247941.db2.gz TVVVMYHYXOKCSG-HNNXBMFYSA-N 2 0 295.471 2.276 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134752 175313062 /nfs/dbraw/zinc/31/30/62/175313062.db2.gz MQJKMYQEVSYSDE-GFCCVEGCSA-N 2 0 282.350 2.275 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000045172712 175321852 /nfs/dbraw/zinc/32/18/52/175321852.db2.gz HGZOMITVGZSAPL-NSHDSACASA-N 2 0 264.417 2.029 10 0 CEAERP C[C@@](CCC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045371673 175364155 /nfs/dbraw/zinc/36/41/55/175364155.db2.gz LAMKUGGTNVLWQN-INIZCTEOSA-N 2 0 281.444 2.029 10 0 CEAERP CC[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045372478 175364797 /nfs/dbraw/zinc/36/47/97/175364797.db2.gz NUOBZJBIGVWEOU-QGZVFWFLSA-N 2 0 295.471 2.417 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[NH+](CCC)CCC)C(N)=O ZINC000045378628 175367647 /nfs/dbraw/zinc/36/76/47/175367647.db2.gz ONUKUNPMPLHBCR-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381746 175370261 /nfs/dbraw/zinc/37/02/61/175370261.db2.gz BDLKOYKTFRXQRP-INIZCTEOSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390648 175374766 /nfs/dbraw/zinc/37/47/66/175374766.db2.gz CWAQLYRAHADRCU-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390526 175375142 /nfs/dbraw/zinc/37/51/42/175375142.db2.gz TUSGQWBDBDBPNU-QGZVFWFLSA-N 2 0 295.471 2.417 10 0 CEAERP CC(C)C[NH+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045420430 175378802 /nfs/dbraw/zinc/37/88/02/175378802.db2.gz DUFBEBRRXSBWNL-QGZVFWFLSA-N 2 0 297.487 2.377 10 0 CEAERP C[C@@H]1C[N@@H+](C[C@@H]2CC23CC[NH2+]CC3)C[C@H](C)S1 ZINC000070387901 175905307 /nfs/dbraw/zinc/90/53/07/175905307.db2.gz AZCRXOMOMVWYFY-XQQFMLRXSA-N 2 0 254.443 2.202 10 0 CEAERP CC[NH2+][C@@H](Cc1c[nH+]ccc1N)c1cc(C)ccn1 ZINC000070401267 175911132 /nfs/dbraw/zinc/91/11/32/175911132.db2.gz KRNSBDLZJZZRBR-HNNXBMFYSA-N 2 0 256.353 2.261 10 0 CEAERP CO[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284052 415672834 /nfs/dbraw/zinc/67/28/34/415672834.db2.gz ZMXAJIXHXNLYFL-GJZGRUSLSA-N 2 0 254.418 2.313 10 0 CEAERP c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071090728 176031159 /nfs/dbraw/zinc/03/11/59/176031159.db2.gz NXFSQECFJVEKRN-KBXCAEBGSA-N 2 0 286.419 2.374 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071124576 176035214 /nfs/dbraw/zinc/03/52/14/176035214.db2.gz QIHSMIDZQGRVHL-ARFHVFGLSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071124905 176035502 /nfs/dbraw/zinc/03/55/02/176035502.db2.gz VPJWFKMYOKBSKO-XHSDSOJGSA-N 2 0 267.461 2.168 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(C)c2)C1 ZINC000071145447 176041753 /nfs/dbraw/zinc/04/17/53/176041753.db2.gz XPDFTRCKVFBRBZ-HNNXBMFYSA-N 2 0 289.423 2.255 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)CCC[NH+](C)C ZINC000071162282 176046829 /nfs/dbraw/zinc/04/68/29/176046829.db2.gz CWRIEGUQTZMPAG-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188094 176061435 /nfs/dbraw/zinc/06/14/35/176061435.db2.gz OKGCUUBLTOPYFF-IPYPFGDCSA-N 2 0 281.469 2.410 10 0 CEAERP C[C@H](C[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188447 176062522 /nfs/dbraw/zinc/06/25/22/176062522.db2.gz SWOCKCVDRCRMJJ-NUJGCVRESA-N 2 0 289.467 2.391 10 0 CEAERP Cc1cc(C)c([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188612 176063665 /nfs/dbraw/zinc/06/36/65/176063665.db2.gz RCUVGLLHFAZLDZ-IAGOWNOFSA-N 2 0 289.467 2.495 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188819 176063812 /nfs/dbraw/zinc/06/38/12/176063812.db2.gz HQWHZMUAKXXURI-OAGGEKHMSA-N 2 0 269.477 2.427 10 0 CEAERP CCc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188680 176063837 /nfs/dbraw/zinc/06/38/37/176063837.db2.gz ITXQLCSCSSFLNE-NVXWUHKLSA-N 2 0 275.440 2.132 10 0 CEAERP CCC[C@]1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]C1 ZINC000071190952 176068819 /nfs/dbraw/zinc/06/88/19/176068819.db2.gz GWXAJOMWRAKSMP-CVEARBPZSA-N 2 0 267.461 2.040 10 0 CEAERP Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192038 176072388 /nfs/dbraw/zinc/07/23/88/176072388.db2.gz YLIRQFIAYMTOEI-OAHLLOKOSA-N 2 0 293.455 2.470 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC000071197757 176076752 /nfs/dbraw/zinc/07/67/52/176076752.db2.gz IIXJFFKJGVVEKH-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC000071197756 176076767 /nfs/dbraw/zinc/07/67/67/176076767.db2.gz IIXJFFKJGVVEKH-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198306 176077216 /nfs/dbraw/zinc/07/72/16/176077216.db2.gz UMUOIKFKEDIVIA-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071201394 176078106 /nfs/dbraw/zinc/07/81/06/176078106.db2.gz HUQCBWFFIPWDHU-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071268011 176101905 /nfs/dbraw/zinc/10/19/05/176101905.db2.gz YWQYEJLZMHECGA-LBPRGKRZSA-N 2 0 292.402 2.026 10 0 CEAERP CC[NH2+]CCCCCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071289939 176110365 /nfs/dbraw/zinc/11/03/65/176110365.db2.gz LGVBQKOOCFDRGA-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CCCn1c(C[NH3+])nnc1SCC[C@@H]1CCCC[N@@H+]1C ZINC000071375341 176140240 /nfs/dbraw/zinc/14/02/40/176140240.db2.gz PLAUIMWNJXXCHS-LBPRGKRZSA-N 2 0 297.472 2.113 10 0 CEAERP CCN1CC[NH+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401633 176153761 /nfs/dbraw/zinc/15/37/61/176153761.db2.gz AZRMOUULKCFJST-INIZCTEOSA-N 2 0 261.413 2.104 10 0 CEAERP COc1ccc([C@H](CC[NH3+])C[NH+](C)C)c(C)c1C ZINC000076655186 177045091 /nfs/dbraw/zinc/04/50/91/177045091.db2.gz PAGTVLJXMBJLCG-CYBMUJFWSA-N 2 0 250.386 2.306 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000079239784 177453916 /nfs/dbraw/zinc/45/39/16/177453916.db2.gz JAXBUCXQTMAAPN-CVEARBPZSA-N 2 0 297.487 2.378 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261813009 276180870 /nfs/dbraw/zinc/18/08/70/276180870.db2.gz ZWPBYVSNTKWFAS-HOTGVXAUSA-N 2 0 295.471 2.227 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000037770557 277151513 /nfs/dbraw/zinc/15/15/13/277151513.db2.gz FZHYHNOGPHBQQJ-UHFFFAOYSA-N 2 0 289.423 2.138 10 0 CEAERP CC(C)(C)OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307939 277216228 /nfs/dbraw/zinc/21/62/28/277216228.db2.gz GTWIVWFVWIMDBV-HZPDHXFCSA-N 2 0 298.471 2.113 10 0 CEAERP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529334 278344238 /nfs/dbraw/zinc/34/42/38/278344238.db2.gz RDIKHXLMCOGRBN-NVXWUHKLSA-N 2 0 275.440 2.096 10 0 CEAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237905032 303484094 /nfs/dbraw/zinc/48/40/94/303484094.db2.gz WTEKHRDOOFFZDL-CVEARBPZSA-N 2 0 295.471 2.276 10 0 CEAERP C[C@@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581005710 322361209 /nfs/dbraw/zinc/36/12/09/322361209.db2.gz CVMUHJQPUZCQND-HZPDHXFCSA-N 2 0 267.461 2.086 10 0 CEAERP CC(C)C[C@@H]1CSC(N[C@@H](C)CC[NH+](C)C)=[NH+]1 ZINC000049559264 519275409 /nfs/dbraw/zinc/27/54/09/519275409.db2.gz SCIWQYGRWOUEAR-NWDGAFQWSA-N 2 0 257.447 2.434 10 0 CEAERP CC(C)C[N@H+](C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181364 519709118 /nfs/dbraw/zinc/70/91/18/519709118.db2.gz YMGQPJSMIJNYSG-UHFFFAOYSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197949 519719691 /nfs/dbraw/zinc/71/96/91/519719691.db2.gz FJAVLPLDWXKIRD-UHFFFAOYSA-N 2 0 286.485 2.220 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180439 519910833 /nfs/dbraw/zinc/91/08/33/519910833.db2.gz YOAOXFNURSPEJX-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000052180792 519912632 /nfs/dbraw/zinc/91/26/32/519912632.db2.gz WDCACHYJPCOZBK-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]CCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515413 519912062 /nfs/dbraw/zinc/91/20/62/519912062.db2.gz NLOVZGHGXHYCGO-UHFFFAOYSA-N 3 0 269.477 2.430 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054997450 520033112 /nfs/dbraw/zinc/03/31/12/520033112.db2.gz JHIZBNPVEPBZLT-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000062741245 520515963 /nfs/dbraw/zinc/51/59/63/520515963.db2.gz DWDZFPPXFCGWQR-HOTGVXAUSA-N 2 0 262.397 2.230 10 0 CEAERP CCC(CC)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478135 521543685 /nfs/dbraw/zinc/54/36/85/521543685.db2.gz QVPPEWSGYURPDY-UHFFFAOYSA-N 2 0 281.448 2.287 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482371 522095581 /nfs/dbraw/zinc/09/55/81/522095581.db2.gz BGUQYOPTEXMASA-ZJIFWQFVSA-N 2 0 266.429 2.266 10 0 CEAERP C[NH2+]Cc1oc(CN2CC[NH+](CC(C)C)CC2)cc1C ZINC000055083117 522161092 /nfs/dbraw/zinc/16/10/92/522161092.db2.gz QQZXCFPRDHFATM-UHFFFAOYSA-N 2 0 279.428 2.081 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052511965 522218634 /nfs/dbraw/zinc/21/86/34/522218634.db2.gz NBJWDQDSDUXTPK-CYBMUJFWSA-N 2 0 268.401 2.492 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1C[NH+]1CCC(OC)CC1 ZINC000053866153 522376731 /nfs/dbraw/zinc/37/67/31/522376731.db2.gz LRHCUIXJDNZOIT-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)CN(CC[NH+](C)C)c1nc([C@H](C)[NH3+])cs1 ZINC000080805286 517420508 /nfs/dbraw/zinc/42/05/08/517420508.db2.gz YBHRHDDYVZQRLF-NSHDSACASA-N 2 0 270.446 2.187 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050953907 518383891 /nfs/dbraw/zinc/38/38/91/518383891.db2.gz VMLFPPYCSHIOCV-GJZGRUSLSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050945835 518705307 /nfs/dbraw/zinc/70/53/07/518705307.db2.gz DREJWMOVCZKVLD-CQSZACIVSA-N 2 0 295.471 2.288 10 0 CEAERP CC(C)(C)[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883467 518711370 /nfs/dbraw/zinc/71/13/70/518711370.db2.gz FMRMHVANYJCPHB-QGZVFWFLSA-N 2 0 275.440 2.277 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061624887 518714163 /nfs/dbraw/zinc/71/41/63/518714163.db2.gz DQKTXVHFEBLQNA-QGZVFWFLSA-N 2 0 289.467 2.363 10 0 CEAERP CC(C)(C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000069311243 518755281 /nfs/dbraw/zinc/75/52/81/518755281.db2.gz CQCNKYGMODATCH-UHFFFAOYSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000051694594 518804967 /nfs/dbraw/zinc/80/49/67/518804967.db2.gz CMWYRVKTEVRQCZ-JXQTWKCFSA-N 2 0 297.443 2.245 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050951971 519613517 /nfs/dbraw/zinc/61/35/17/519613517.db2.gz MHXLKCQCQNRKMK-HNNXBMFYSA-N 2 0 283.460 2.145 10 0 CEAERP CC(C)[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022903 519682922 /nfs/dbraw/zinc/68/29/22/519682922.db2.gz PXLRDPFZPUQETG-HNNXBMFYSA-N 2 0 274.412 2.080 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377149 519723404 /nfs/dbraw/zinc/72/34/04/519723404.db2.gz ZTHKFDARBPHQKV-GJZGRUSLSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[NH2+]C[C@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417109 519724222 /nfs/dbraw/zinc/72/42/22/519724222.db2.gz ORZSNJLMSHJQKQ-KRWDZBQOSA-N 2 0 289.467 2.438 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](C)C2)O1 ZINC000052381579 519725814 /nfs/dbraw/zinc/72/58/14/519725814.db2.gz UKMHIRHPMVTHPO-KFWWJZLASA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083673 519726467 /nfs/dbraw/zinc/72/64/67/519726467.db2.gz WVTDQTYECKMPNO-ULQDDVLXSA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000052513800 519728208 /nfs/dbraw/zinc/72/82/08/519728208.db2.gz ZBVDIPJBAJWAHH-GDBMZVCRSA-N 2 0 293.459 2.287 10 0 CEAERP CC(C)C[NH+]1CCN(c2cc(C[NH2+]C(C)C)ccn2)CC1 ZINC000055082564 519728387 /nfs/dbraw/zinc/72/83/87/519728387.db2.gz OQFGWFXDKKZCFS-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571580 519744466 /nfs/dbraw/zinc/74/44/66/519744466.db2.gz ZNJCHPFNSCLVGT-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010823 519746107 /nfs/dbraw/zinc/74/61/07/519746107.db2.gz CEAYRRMLOQHCAT-OAHLLOKOSA-N 2 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507665 519746550 /nfs/dbraw/zinc/74/65/50/519746550.db2.gz DJFNAIBBOZQNMP-IXDOHACOSA-N 2 0 298.471 2.281 10 0 CEAERP CCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052347072 519859037 /nfs/dbraw/zinc/85/90/37/519859037.db2.gz RNLOLMBJSUONPU-CVEARBPZSA-N 2 0 266.429 2.408 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000052503295 519920420 /nfs/dbraw/zinc/92/04/20/519920420.db2.gz VIBQGCSTOHONMT-OAHLLOKOSA-N 2 0 257.466 2.142 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481012 519923977 /nfs/dbraw/zinc/92/39/77/519923977.db2.gz BQLQLBBPCVYETP-JKSUJKDBSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379025 519925299 /nfs/dbraw/zinc/92/52/99/519925299.db2.gz OLJZCHXBBOXSPP-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](CCCOC)CCOC)o1 ZINC000052543238 519947032 /nfs/dbraw/zinc/94/70/32/519947032.db2.gz DDWJJOGAGQUXDK-UHFFFAOYSA-N 2 0 298.427 2.264 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](C)CCOC)cc1 ZINC000052572917 519948104 /nfs/dbraw/zinc/94/81/04/519948104.db2.gz IXEWIQKCEGAJOF-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC000061654218 519950353 /nfs/dbraw/zinc/95/03/53/519950353.db2.gz GNHFWXVELSEFAB-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000061231347 519967732 /nfs/dbraw/zinc/96/77/32/519967732.db2.gz LVRFWXOUUOYFRA-AWEZNQCLSA-N 2 0 289.423 2.467 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419165 519981031 /nfs/dbraw/zinc/98/10/31/519981031.db2.gz LTSVUODGFRJQGT-IAGOWNOFSA-N 2 0 274.408 2.202 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416591 519981779 /nfs/dbraw/zinc/98/17/79/519981779.db2.gz WQULCUMJCYVVCC-ZIAGYGMSSA-N 2 0 280.437 2.263 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061646071 519992910 /nfs/dbraw/zinc/99/29/10/519992910.db2.gz AJXDYSUGKQIARO-HNNXBMFYSA-N 2 0 279.403 2.466 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](CCOC)CC(C)C ZINC000052508492 520011242 /nfs/dbraw/zinc/01/12/42/520011242.db2.gz JLOBKECBGPCOCJ-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC[NH2+]Cc1oc(COCC[NH+]2CCCC2)cc1C ZINC000052670589 520028669 /nfs/dbraw/zinc/02/86/69/520028669.db2.gz FYDDEWNFFHLEMI-UHFFFAOYSA-N 2 0 266.385 2.310 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453272 520031749 /nfs/dbraw/zinc/03/17/49/520031749.db2.gz AGVDTSVCLWALTP-GFCCVEGCSA-N 2 0 254.399 2.326 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554621 520095668 /nfs/dbraw/zinc/09/56/68/520095668.db2.gz SRXYXIRGLBNXCD-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970589 520116728 /nfs/dbraw/zinc/11/67/28/520116728.db2.gz MUMWCFNLBGWVHR-IXDOHACOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082097 520116803 /nfs/dbraw/zinc/11/68/03/520116803.db2.gz UFIZGRBEULWXLN-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CC1(C)COCC[N@@H+]1CCCOc1ccc(C[NH3+])cc1 ZINC000048926439 520502680 /nfs/dbraw/zinc/50/26/80/520502680.db2.gz UOABBEBEQUUSPI-UHFFFAOYSA-N 2 0 278.396 2.025 10 0 CEAERP CCCC[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075931 520692338 /nfs/dbraw/zinc/69/23/38/520692338.db2.gz YLIVAMNIYKKACS-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000052337230 520738122 /nfs/dbraw/zinc/73/81/22/520738122.db2.gz TXFDRHUXGADTHQ-DZGCQCFKSA-N 2 0 256.434 2.248 10 0 CEAERP CC[N@H+](CCOc1ccccc1C[NH2+]C)[C@H](C)COC ZINC000052504856 521153251 /nfs/dbraw/zinc/15/32/51/521153251.db2.gz NYVYYQGEHYQZDS-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CC[N@H+](Cc1cccc(C[NH2+]C)c1)[C@@H](C)COC ZINC000052504739 521340034 /nfs/dbraw/zinc/34/00/34/521340034.db2.gz POFGTDAVUDQZPS-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147774 521555833 /nfs/dbraw/zinc/55/58/33/521555833.db2.gz VEGZXWNGDCPNCD-CABCVRRESA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049553834 521583175 /nfs/dbraw/zinc/58/31/75/521583175.db2.gz YZZAHSGWWSZPAN-UONOGXRCSA-N 3 0 255.450 2.037 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000052203565 521954031 /nfs/dbraw/zinc/95/40/31/521954031.db2.gz XPBRBFTYDCFKNM-KRWDZBQOSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]CCC[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417244 522000121 /nfs/dbraw/zinc/00/01/21/522000121.db2.gz FATLSQNFRRBMCZ-ZDUSSCGKSA-N 2 0 292.423 2.450 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374730 522000961 /nfs/dbraw/zinc/00/09/61/522000961.db2.gz GRTIJVYNUJSLSI-AWEZNQCLSA-N 2 0 279.403 2.336 10 0 CEAERP C[NH+](C)[C@H]1CCN(CC2(C[NH2+]C3CC3)CCCCC2)C1 ZINC000062969904 522104211 /nfs/dbraw/zinc/10/42/11/522104211.db2.gz CPKBRZGJBSQAHX-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453538 522118531 /nfs/dbraw/zinc/11/85/31/522118531.db2.gz WFFONAIYEKPQBY-CQSZACIVSA-N 2 0 250.411 2.343 10 0 CEAERP C[NH2+]Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000052515423 522118604 /nfs/dbraw/zinc/11/86/04/522118604.db2.gz UXSPKPJIZQIYQF-UHFFFAOYSA-N 3 0 275.440 2.180 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065103 522118554 /nfs/dbraw/zinc/11/85/54/522118554.db2.gz GZHUZHILKFJLOS-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064066 522129932 /nfs/dbraw/zinc/12/99/32/522129932.db2.gz PQQYXDSCBQZTQE-OCCSQVGLSA-N 2 0 265.401 2.004 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N(C)CC[NH+]2CCCC2)nc1C ZINC000063054451 522339355 /nfs/dbraw/zinc/33/93/55/522339355.db2.gz UIEXHYSBGLVEDX-NSHDSACASA-N 2 0 282.457 2.264 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642090 522339632 /nfs/dbraw/zinc/33/96/32/522339632.db2.gz ZHPAVZXXSVRNFE-IPYPFGDCSA-N 2 0 265.401 2.084 10 0 CEAERP C[NH2+][C@H](CCN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055082000 522460186 /nfs/dbraw/zinc/46/01/86/522460186.db2.gz FIIVWFGGPSNPMO-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1F)N1CC[C@H]([NH+](C)C)C1 ZINC000062964162 522654003 /nfs/dbraw/zinc/65/40/03/522654003.db2.gz JDRHNUFZUBGTOT-MAZHCROVSA-N 2 0 279.403 2.240 10 0 CEAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCc1ccccn1 ZINC000050952484 522787791 /nfs/dbraw/zinc/78/77/91/522787791.db2.gz CKUBDPPBCZMPLA-HNNXBMFYSA-N 2 0 261.413 2.478 10 0 CEAERP CC[C@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642541 523186435 /nfs/dbraw/zinc/18/64/35/523186435.db2.gz USWSIGFDDOHJFA-CAOSSQGBSA-N 2 0 267.461 2.166 10 0 CEAERP C[N@@H+](Cc1ccccn1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052478893 523395361 /nfs/dbraw/zinc/39/53/61/523395361.db2.gz PVNCVNCNRZZJGZ-JKSUJKDBSA-N 2 0 291.439 2.449 10 0 CEAERP C[N@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453285 523478066 /nfs/dbraw/zinc/47/80/66/523478066.db2.gz VDNJMAKRLHKEDL-CYBMUJFWSA-N 2 0 266.410 2.469 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570855 523508980 /nfs/dbraw/zinc/50/89/80/523508980.db2.gz OJCRSDWERWWEQV-XJKSGUPXSA-N 2 0 262.397 2.405 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)oc1C ZINC000052572955 523618924 /nfs/dbraw/zinc/61/89/24/523618924.db2.gz AHWWOLIUHCOAGO-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP COCC[N@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052572817 523624248 /nfs/dbraw/zinc/62/42/48/523624248.db2.gz MZDNDUVVNVVXTN-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP COCC[N@H+](C[C@H](C)C[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545312 523733545 /nfs/dbraw/zinc/73/35/45/523733545.db2.gz KFCHDDWMYMOWCX-OLZOCXBDSA-N 2 0 254.418 2.121 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@H](C)C1CC1 ZINC000052545388 523740160 /nfs/dbraw/zinc/74/01/60/523740160.db2.gz SALUEJCDFWYSED-LLVKDONJSA-N 2 0 266.385 2.294 10 0 CEAERP C[N@@H+]1CCCN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000052424067 523810437 /nfs/dbraw/zinc/81/04/37/523810437.db2.gz JGQAZPCCVNNYML-UHFFFAOYSA-N 2 0 296.484 2.169 10 0 CEAERP C[NH+]1CCN(Cc2c(C[NH3+])sc3cccc(F)c32)CC1 ZINC000052379360 523907962 /nfs/dbraw/zinc/90/79/62/523907962.db2.gz JPVNJPPDVFPGSJ-UHFFFAOYSA-N 2 0 293.411 2.247 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075300 523958076 /nfs/dbraw/zinc/95/80/76/523958076.db2.gz WPSJMOMMQRZBHS-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065268 523958477 /nfs/dbraw/zinc/95/84/77/523958477.db2.gz WNXKOJJANRFCSA-QGTPRVQTSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncccc2C[NH2+]C2CC2)CC1 ZINC000055073366 523962230 /nfs/dbraw/zinc/96/22/30/523962230.db2.gz SGURUTHIRNQXFJ-AWEZNQCLSA-N 2 0 288.439 2.254 10 0 CEAERP C[NH+](C)C1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054895684 524040699 /nfs/dbraw/zinc/04/06/99/524040699.db2.gz ZZEJSSPRPXNQDD-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP COc1cccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642041 524105657 /nfs/dbraw/zinc/10/56/57/524105657.db2.gz NMFKXYMJRLCCNN-YSVLISHTSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H](CCC[NH3+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484222 524140612 /nfs/dbraw/zinc/14/06/12/524140612.db2.gz ILEOSCAMPZLVRG-CQSZACIVSA-N 3 0 253.434 2.064 10 0 CEAERP C[C@H](CCC[NH2+]C(C)(C)C)[NH+]1CCN(C2CC2)CC1 ZINC000052371369 524141958 /nfs/dbraw/zinc/14/19/58/524141958.db2.gz MCMZAMLWVZWQSG-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@H]1CCC[C@](CNC(=O)C[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000054308617 524222953 /nfs/dbraw/zinc/22/29/53/524222953.db2.gz LOXFKBYEMKVHND-ZOBUZTSGSA-N 2 0 295.471 2.003 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206002 524333968 /nfs/dbraw/zinc/33/39/68/524333968.db2.gz QBWFBTIETZPQRR-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H](CNCC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000052206192 524484580 /nfs/dbraw/zinc/48/45/80/524484580.db2.gz HXALIZKWYXZSRG-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206003 524604728 /nfs/dbraw/zinc/60/47/28/524604728.db2.gz QBWFBTIETZPQRR-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C)CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087210 525107700 /nfs/dbraw/zinc/10/77/00/525107700.db2.gz SVZYNCTXAAQQOK-FMKPAKJESA-N 2 0 274.408 2.310 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061643309 525128696 /nfs/dbraw/zinc/12/86/96/525128696.db2.gz QPCQCYDBUZIQST-CZUORRHYSA-N 2 0 291.439 2.241 10 0 CEAERP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642045 525377281 /nfs/dbraw/zinc/37/72/81/525377281.db2.gz IYGAXUXKUSPRHZ-BFYDXBDKSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](C(C)C)CC2)ccc1F ZINC000050546103 525536073 /nfs/dbraw/zinc/53/60/73/525536073.db2.gz GIQRYPCPOLPIPI-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP COc1cccc(C[NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666968 525956173 /nfs/dbraw/zinc/95/61/73/525956173.db2.gz ZJTXMXOONIUBEV-KBPBESRZSA-N 2 0 262.397 2.373 10 0 CEAERP Fc1ccccc1N1CC[NH+](CCC[C@H]2CCC[NH2+]2)CC1 ZINC000052764393 526413498 /nfs/dbraw/zinc/41/34/98/526413498.db2.gz XTYPFFSRLAKFPB-OAHLLOKOSA-N 2 0 291.414 2.480 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1CN1CCC[N@H+](C)CC1 ZINC000052424398 526775155 /nfs/dbraw/zinc/77/51/55/526775155.db2.gz MNRDFYPDLSNDMQ-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP Cc1nc(C[NH2+]CCC[C@H]2CCCC[NH2+]2)cs1 ZINC000050953553 526888159 /nfs/dbraw/zinc/88/81/59/526888159.db2.gz YEFWGFVLLWUKSM-GFCCVEGCSA-N 2 0 253.415 2.463 10 0 CEAERP [NH3+]C[C@H]1c2ccccc2CCN1CCC[NH+]1CCCC1 ZINC000069311839 527241933 /nfs/dbraw/zinc/24/19/33/527241933.db2.gz XGQIBLVGHDTZTC-KRWDZBQOSA-N 2 0 273.424 2.030 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)ccn1 ZINC000068749628 527248048 /nfs/dbraw/zinc/24/80/48/527248048.db2.gz NQOBRBJCADZQNA-INIZCTEOSA-N 2 0 268.364 2.272 10 0 CEAERP CC(C)[C@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143747 574510268 /nfs/dbraw/zinc/51/02/68/574510268.db2.gz MQOJBJFFNDGCGV-UKRRQHHQSA-N 2 0 252.402 2.223 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932778 628230843 /nfs/dbraw/zinc/23/08/43/628230843.db2.gz WZLAKURBYHXWJM-FJIDUMEYSA-N 2 0 286.419 2.276 10 0 CEAERP CC(C)(C)OC(=O)[C@@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757186415 631831163 /nfs/dbraw/zinc/83/11/63/631831163.db2.gz XNZOLHONWJBTHD-LBPRGKRZSA-N 2 0 296.455 2.475 10 0 CEAERP [NH3+]Cc1cccc(-c2cccc3c2O[C@H](C[NH3+])C3)c1 ZINC000067956388 641362823 /nfs/dbraw/zinc/36/28/23/641362823.db2.gz ZLIOQFOKBBAHOJ-AWEZNQCLSA-N 2 0 254.333 2.075 10 0 CEAERP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21 ZINC000096081866 185091374 /nfs/dbraw/zinc/09/13/74/185091374.db2.gz UETUPBQDOZNYQN-ZMSDIMECSA-N 2 0 273.424 2.491 10 0 CEAERP [NH3+]CCN1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000038956320 343434641 /nfs/dbraw/zinc/43/46/41/343434641.db2.gz WEXZUXZCSUGEFO-QGZVFWFLSA-N 2 0 273.424 2.030 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000146890276 344411098 /nfs/dbraw/zinc/41/10/98/344411098.db2.gz IFNPDRDKKJAXSO-GOSISDBHSA-N 2 0 287.451 2.146 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCC[N@H+](C)CC1CCC1 ZINC000085211085 178973350 /nfs/dbraw/zinc/97/33/50/178973350.db2.gz XEQOYUVGMQHJOH-OAHLLOKOSA-N 2 0 256.434 2.249 10 0 CEAERP CC[N@@H+]1CCC[C@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568659 179095226 /nfs/dbraw/zinc/09/52/26/179095226.db2.gz ZZBXKGMBAGWYPG-ZDUSSCGKSA-N 2 0 290.455 2.311 10 0 CEAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615127 179104504 /nfs/dbraw/zinc/10/45/04/179104504.db2.gz GGNIBEFODAFTRA-KRWDZBQOSA-N 2 0 290.455 2.436 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1[C@@H]1CCOC1 ZINC000085621005 179105452 /nfs/dbraw/zinc/10/54/52/179105452.db2.gz UVKLIGOQNKZWPG-UONOGXRCSA-N 2 0 252.402 2.162 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H](C(C)(C)C)C2)CC1 ZINC000086144515 179237512 /nfs/dbraw/zinc/23/75/12/179237512.db2.gz NJZQOPNFGAAYJO-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCN[C@](C)(c3ccccc3)C2)CC1 ZINC000086145632 179238125 /nfs/dbraw/zinc/23/81/25/179238125.db2.gz YQBFCALAQUEUIU-SFHVURJKSA-N 2 0 287.451 2.149 10 0 CEAERP CCC[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182755 179247451 /nfs/dbraw/zinc/24/74/51/179247451.db2.gz KCSFAWFDOWGAGL-YESZJQIVSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223002 179250438 /nfs/dbraw/zinc/25/04/38/179250438.db2.gz MFKFJXXQPKMTJK-OIISXLGYSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259606 179257687 /nfs/dbraw/zinc/25/76/87/179257687.db2.gz AFYUEYGOKHSYPI-NUEKZKHPSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259605 179258723 /nfs/dbraw/zinc/25/87/23/179258723.db2.gz AFYUEYGOKHSYPI-FVQBIDKESA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1CCCC[NH+](C)C ZINC000086261081 179260327 /nfs/dbraw/zinc/26/03/27/179260327.db2.gz XVEIEQMMYQTHJD-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC1(CC)CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290510 179265212 /nfs/dbraw/zinc/26/52/12/179265212.db2.gz SJDAUFFCRBGKRX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C1CCC2(CC1)CN([C@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285927 179263818 /nfs/dbraw/zinc/26/38/18/179263818.db2.gz QEQUFRQAMLPIHQ-INIZCTEOSA-N 2 0 277.456 2.079 10 0 CEAERP C[NH+](C)CCCN1CCC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086286968 179264169 /nfs/dbraw/zinc/26/41/69/179264169.db2.gz DHYQSNPIZBXGGH-KRWDZBQOSA-N 2 0 275.440 2.149 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288943 179264411 /nfs/dbraw/zinc/26/44/11/179264411.db2.gz XJXCSLWXIISUNK-SJORKVTESA-N 2 0 273.424 2.117 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289427 179264542 /nfs/dbraw/zinc/26/45/42/179264542.db2.gz XVIAUSSJDHVKEP-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP C1CCC2(C1)CN([C@H]1CC[N@@H+]3CCCC[C@@H]13)CCC[NH2+]2 ZINC000086290606 179265344 /nfs/dbraw/zinc/26/53/44/179265344.db2.gz HIYMAXAGUJWZLT-HOTGVXAUSA-N 2 0 277.456 2.221 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H](C)CC[NH+](C)C ZINC000086255834 179257248 /nfs/dbraw/zinc/25/72/48/179257248.db2.gz WNZGAMPJJVHHOC-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291674 179266600 /nfs/dbraw/zinc/26/66/00/179266600.db2.gz FCVJYIHWMMXMEM-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP C1CC1[N@@H+]1CC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086291989 179266659 /nfs/dbraw/zinc/26/66/59/179266659.db2.gz GYIOFNBQBWRLTL-MSOLQXFVSA-N 2 0 291.483 2.467 10 0 CEAERP CO[C@@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293532 179267433 /nfs/dbraw/zinc/26/74/33/179267433.db2.gz GDVFXJXNYGERHL-UONOGXRCSA-N 2 0 252.402 2.162 10 0 CEAERP C[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc2ccccc2n1 ZINC000086317355 179269808 /nfs/dbraw/zinc/26/98/08/179269808.db2.gz VSZPLXYSJSYTRQ-CJNGLKHVSA-N 2 0 255.365 2.447 10 0 CEAERP CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC[N@@H+]1C ZINC000086444158 179293763 /nfs/dbraw/zinc/29/37/63/179293763.db2.gz DPGHZHBLIQCFEA-MNOVXSKESA-N 2 0 280.441 2.010 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](COC)C(C)C)CC1 ZINC000086696265 179320637 /nfs/dbraw/zinc/32/06/37/179320637.db2.gz GHVSVNGJBDYOKY-UKRRQHHQSA-N 2 0 256.434 2.367 10 0 CEAERP C[C@H]1C[NH+](CC2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000178989459 290839390 /nfs/dbraw/zinc/83/93/90/290839390.db2.gz WTNIKCNSYRMUBN-KBPBESRZSA-N 2 0 266.429 2.360 10 0 CEAERP CCC(CC)[C@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817436 179344954 /nfs/dbraw/zinc/34/49/54/179344954.db2.gz AAABTIGNWLUIFL-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@H](OCC)C2)CC1 ZINC000086848057 179356256 /nfs/dbraw/zinc/35/62/56/179356256.db2.gz ASJRPOKMUDREDW-DLBZAZTESA-N 2 0 297.487 2.081 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccc(C)o2)CC1 ZINC000086846954 179356944 /nfs/dbraw/zinc/35/69/44/179356944.db2.gz VSZLDEUFOZLYII-MRXNPFEDSA-N 2 0 279.428 2.223 10 0 CEAERP CCOC(=O)C[C@]1([NH+]2CCCCC2)CCC[N@H+](C)CC1 ZINC000086834409 179349815 /nfs/dbraw/zinc/34/98/15/179349815.db2.gz FGMHNWJJIOSOBP-INIZCTEOSA-N 2 0 282.428 2.280 10 0 CEAERP CC[NH+](CC)CCCN[C@H]1CCC[N@H+](CC)CC1 ZINC000086835636 179349883 /nfs/dbraw/zinc/34/98/83/179349883.db2.gz PCJXORPSKOVZTC-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836669 179350885 /nfs/dbraw/zinc/35/08/85/179350885.db2.gz XABTUBLZJFHFFU-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843069 179353157 /nfs/dbraw/zinc/35/31/57/179353157.db2.gz RBMKJDFPXIQVEB-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840480 179353340 /nfs/dbraw/zinc/35/33/40/179353340.db2.gz UNZPMYASGDISJK-GJZGRUSLSA-N 2 0 264.417 2.126 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842121 179353865 /nfs/dbraw/zinc/35/38/65/179353865.db2.gz FEIHAOBTFBMJCY-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850905 179358272 /nfs/dbraw/zinc/35/82/72/179358272.db2.gz SSLLFILKPJXTND-YESZJQIVSA-N 2 0 279.472 2.466 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851239 179359023 /nfs/dbraw/zinc/35/90/23/179359023.db2.gz LKRGQEPDBKLIRV-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000086891020 179366164 /nfs/dbraw/zinc/36/61/64/179366164.db2.gz CIWGJSGYWVMRLM-DOTOQJQBSA-N 2 0 279.472 2.312 10 0 CEAERP C[NH+](C)[C@H]1CCN([C@@]2(C[NH3+])CCCC(C)(C)CC2)C1 ZINC000086913430 179367149 /nfs/dbraw/zinc/36/71/49/179367149.db2.gz AIXQBPPSYQMXRI-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086913664 179367303 /nfs/dbraw/zinc/36/73/03/179367303.db2.gz DUNMDIWITASUQK-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086904709 179367366 /nfs/dbraw/zinc/36/73/66/179367366.db2.gz JOZWXKHIQIUXLA-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086943910 179367570 /nfs/dbraw/zinc/36/75/70/179367570.db2.gz LYHOSJHTCWCAGT-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000087017731 179380692 /nfs/dbraw/zinc/38/06/92/179380692.db2.gz QZHDRGFSMYZDEL-KBPBESRZSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H]([NH3+])CCC[C@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000087699872 179472694 /nfs/dbraw/zinc/47/26/94/179472694.db2.gz KALONMXAQLPACV-UONOGXRCSA-N 2 0 283.460 2.083 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000087768529 179482742 /nfs/dbraw/zinc/48/27/42/179482742.db2.gz LVLHHCHYJUEGBA-HOTGVXAUSA-N 2 0 279.472 2.453 10 0 CEAERP C[NH2+]C1(CC(=O)N[C@H](C[NH+](C)C)C(C)C)CCCCC1 ZINC000087577560 179449189 /nfs/dbraw/zinc/44/91/89/179449189.db2.gz WMMZOLFQBGSDNR-CQSZACIVSA-N 2 0 283.460 2.001 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C[NH3+])c2)C1 ZINC000087825786 179494788 /nfs/dbraw/zinc/49/47/88/179494788.db2.gz ZJERAQNGWSSZDJ-OAHLLOKOSA-N 2 0 278.396 2.155 10 0 CEAERP CN(C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911722 187399069 /nfs/dbraw/zinc/39/90/69/187399069.db2.gz ZKUOPKUHZOVJHC-QWHCGFSZSA-N 2 0 267.442 2.083 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000104195678 185925582 /nfs/dbraw/zinc/92/55/82/185925582.db2.gz UAHGGMVMOINYKX-OCCSQVGLSA-N 2 0 269.458 2.410 10 0 CEAERP CC[NH+](CC)CCSc1nc2ccccn2c1C[NH2+]C ZINC000088735428 179661402 /nfs/dbraw/zinc/66/14/02/179661402.db2.gz CRZCCJOKYCZLHJ-UHFFFAOYSA-N 2 0 292.452 2.488 10 0 CEAERP C[C@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400429682 233178168 /nfs/dbraw/zinc/17/81/68/233178168.db2.gz ZRPJLWHHCIQWHD-UONOGXRCSA-N 2 0 254.418 2.313 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089402256 179781697 /nfs/dbraw/zinc/78/16/97/179781697.db2.gz ULNNNFPLTFFPQL-HOTGVXAUSA-N 3 0 267.461 2.025 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCCCCCC1 ZINC000090566080 180006091 /nfs/dbraw/zinc/00/60/91/180006091.db2.gz NTPVGRFCZRLWAX-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]CC1(C)CCCC1 ZINC000090567001 180006431 /nfs/dbraw/zinc/00/64/31/180006431.db2.gz RZZORHQQTBMXJB-KGLIPLIRSA-N 2 0 254.418 2.171 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CC(C)C)C(C)C ZINC000090566554 180006573 /nfs/dbraw/zinc/00/65/73/180006573.db2.gz DVTZMSGUCOIBGH-HUUCEWRRSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090620795 180013946 /nfs/dbraw/zinc/01/39/46/180013946.db2.gz SOAOUNGTAUKGHL-HIFRSBDPSA-N 2 0 254.418 2.108 10 0 CEAERP CCC(C)(C)NC(=O)[C@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693340 180025050 /nfs/dbraw/zinc/02/50/50/180025050.db2.gz XVRZGFFRQWNDRO-KBPBESRZSA-N 2 0 283.460 2.144 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090873634 180050115 /nfs/dbraw/zinc/05/01/15/180050115.db2.gz ARGVWVZILBHACU-IUODEOHRSA-N 2 0 260.381 2.049 10 0 CEAERP C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878927 180052736 /nfs/dbraw/zinc/05/27/36/180052736.db2.gz DQMOFVCAEGQLGI-IOASZLSFSA-N 2 0 292.398 2.449 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892503 180054153 /nfs/dbraw/zinc/05/41/53/180054153.db2.gz FMXZVSIQAVNOIJ-SMDDNHRTSA-N 2 0 266.360 2.059 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH+]1CCC(CC[NH3+])CC1)O2 ZINC000090898937 180058090 /nfs/dbraw/zinc/05/80/90/180058090.db2.gz KASJWHVMDSKQNT-MRXNPFEDSA-N 2 0 274.408 2.359 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907444 180060779 /nfs/dbraw/zinc/06/07/79/180060779.db2.gz YKTGHYCLDJZEJK-QLFBSQMISA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@](C)(C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377209 539759001 /nfs/dbraw/zinc/75/90/01/539759001.db2.gz JKUUEVKERJUDRF-IAGOWNOFSA-N 2 0 276.424 2.389 10 0 CEAERP C[C@H]1CCC[N@H+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958667 180074539 /nfs/dbraw/zinc/07/45/39/180074539.db2.gz UXQABWCLJWKIGJ-NSHDSACASA-N 2 0 253.415 2.266 10 0 CEAERP c1ccc2c(c1)C[C@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000090976397 180079155 /nfs/dbraw/zinc/07/91/55/180079155.db2.gz SIIOSUBEOMLPPH-HIFRSBDPSA-N 2 0 256.393 2.400 10 0 CEAERP c1ccc2c(c1)C[C@H]2C[N@H+]1CC[C@H](C[NH2+]C2CC2)C1 ZINC000090992961 180082484 /nfs/dbraw/zinc/08/24/84/180082484.db2.gz XRUURNKWCMUICQ-HIFRSBDPSA-N 2 0 256.393 2.400 10 0 CEAERP CC(C)[N@@H+]1CCO[C@@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000091004116 180084295 /nfs/dbraw/zinc/08/42/95/180084295.db2.gz TWFRVFWKHBQQGR-INIZCTEOSA-N 2 0 293.455 2.485 10 0 CEAERP CC[C@](C)(C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000669377180 539758468 /nfs/dbraw/zinc/75/84/68/539758468.db2.gz ISTLKHUXYVGBJT-MRXNPFEDSA-N 2 0 276.424 2.389 10 0 CEAERP C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000091362504 180141696 /nfs/dbraw/zinc/14/16/96/180141696.db2.gz OPSMCMCJSXYMTB-KSZLIROESA-N 2 0 291.483 2.325 10 0 CEAERP C[NH+](C)C1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362326 180141781 /nfs/dbraw/zinc/14/17/81/180141781.db2.gz QGTPHJYBPMEULT-VYDXJSESSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@@H+]1C ZINC000091362846 180142143 /nfs/dbraw/zinc/14/21/43/180142143.db2.gz DRBMGDQTYQBGLP-NXOAAHMSSA-N 2 0 279.472 2.323 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091429733 180153059 /nfs/dbraw/zinc/15/30/59/180153059.db2.gz YGZQVWDAAZRSJX-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091430173 180153169 /nfs/dbraw/zinc/15/31/69/180153169.db2.gz HZKPXZILIKTNCE-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH2+]Cc1cncc(OC[C@H]2CCCC[N@@H+]2C)n1 ZINC000091435566 180154468 /nfs/dbraw/zinc/15/44/68/180154468.db2.gz CWCXFQRZEKHXMW-OAHLLOKOSA-N 2 0 292.427 2.085 10 0 CEAERP C[C@@H]([NH2+]CCN1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000091449271 180157427 /nfs/dbraw/zinc/15/74/27/180157427.db2.gz VSBHPYPAPBHJCI-KGLIPLIRSA-N 2 0 281.469 2.425 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091491152 180169568 /nfs/dbraw/zinc/16/95/68/180169568.db2.gz QBXFGAWDXHCVLO-UHFFFAOYSA-N 2 0 268.445 2.105 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490559 180169670 /nfs/dbraw/zinc/16/96/70/180169670.db2.gz UXSNZQSQGADDKF-BHDPWAOGSA-N 2 0 268.445 2.248 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000091393293 180145301 /nfs/dbraw/zinc/14/53/01/180145301.db2.gz HZQUULBQZGFHCY-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP C[NH2+][C@@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1C ZINC000091393932 180145551 /nfs/dbraw/zinc/14/55/51/180145551.db2.gz OIQZPAZFILOQAU-RDJZCZTQSA-N 2 0 275.440 2.282 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394055 180145737 /nfs/dbraw/zinc/14/57/37/180145737.db2.gz FYINAIPIFUCHEG-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395698 180146270 /nfs/dbraw/zinc/14/62/70/180146270.db2.gz BSUVEDHXXJRDJV-DZKIICNBSA-N 2 0 279.428 2.392 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395417 180146446 /nfs/dbraw/zinc/14/64/46/180146446.db2.gz CAUMXQZRRZHKFE-SGMGOOAPSA-N 2 0 267.442 2.162 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394968 180146648 /nfs/dbraw/zinc/14/66/48/180146648.db2.gz BFUWFLIAHNLSQJ-ZNMIVQPWSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)s2)C1 ZINC000091394403 180146653 /nfs/dbraw/zinc/14/66/53/180146653.db2.gz SLECYVZKBGWSRI-QWRGUYRKSA-N 2 0 287.860 2.427 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC(C)(C)[C@@H](C)[NH2+]C)C1 ZINC000091404965 180147152 /nfs/dbraw/zinc/14/71/52/180147152.db2.gz WDNPMMZCVHQDMR-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C(C)C)CC1 ZINC000091402942 180147170 /nfs/dbraw/zinc/14/71/70/180147170.db2.gz PTYATVZFWNQUPQ-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](CCCO)C(C)C ZINC000091404451 180147437 /nfs/dbraw/zinc/14/74/37/180147437.db2.gz JBRGBKDXEUXVNL-CQSZACIVSA-N 2 0 258.450 2.494 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C(C)C)CC1 ZINC000091402944 180147520 /nfs/dbraw/zinc/14/75/20/180147520.db2.gz VURSJKAYJREGEC-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091429097 180152712 /nfs/dbraw/zinc/15/27/12/180152712.db2.gz HBBDTBIRPULMLT-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+][C@@H](Cc1ccnc(N)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607167 180204287 /nfs/dbraw/zinc/20/42/87/180204287.db2.gz UNOGKRILMUSESH-RDJZCZTQSA-N 2 0 290.455 2.449 10 0 CEAERP CC[C@](C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608142 180204557 /nfs/dbraw/zinc/20/45/57/180204557.db2.gz XIOXZHGLOPPIKT-MRXNPFEDSA-N 2 0 275.396 2.430 10 0 CEAERP CC[C@@](C)([C@@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606079 180204602 /nfs/dbraw/zinc/20/46/02/180204602.db2.gz SLVGHALVQZDSSZ-ZBFHGGJFSA-N 2 0 276.428 2.059 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722456 180240303 /nfs/dbraw/zinc/24/03/03/180240303.db2.gz XQRIIDYUWVBCIT-NQBHXWOUSA-N 2 0 293.436 2.276 10 0 CEAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850895 180272451 /nfs/dbraw/zinc/27/24/51/180272451.db2.gz LACIUJMCMWWABU-ZUJMUWTESA-N 2 0 283.460 2.272 10 0 CEAERP CC[N@H+](CC[C@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091850658 180272072 /nfs/dbraw/zinc/27/20/72/180272072.db2.gz JMTISHKWBYMKBB-HWOWSKLDSA-N 3 0 267.461 2.453 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000092003620 180304230 /nfs/dbraw/zinc/30/42/30/180304230.db2.gz YQKAHUQTJCTYLA-CABCVRRESA-N 2 0 291.439 2.446 10 0 CEAERP CCC[NH2+][C@](C)(CO)C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090268 180322293 /nfs/dbraw/zinc/32/22/93/180322293.db2.gz UBGRKYFYKITKBL-XGUBFFRZSA-N 2 0 256.434 2.103 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092203743 180343422 /nfs/dbraw/zinc/34/34/22/180343422.db2.gz AOTCVCJMZFVAII-ZFWWWQNUSA-N 2 0 287.407 2.370 10 0 CEAERP C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298023 180358565 /nfs/dbraw/zinc/35/85/65/180358565.db2.gz MYSUTQPVHLZFSI-RBSFLKMASA-N 2 0 274.408 2.483 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092302590 180359229 /nfs/dbraw/zinc/35/92/29/180359229.db2.gz YDQUKFHWBCZILR-AWEZNQCLSA-N 2 0 260.381 2.223 10 0 CEAERP COc1ccc2c(c1)[C@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387318 180374408 /nfs/dbraw/zinc/37/44/08/180374408.db2.gz YPTIBYLRSCGBHN-JKIFEVAISA-N 2 0 272.392 2.224 10 0 CEAERP CC(C)[C@H]1CSC(NCC2CC[NH+](C)CC2)=[NH+]1 ZINC000092402479 180377405 /nfs/dbraw/zinc/37/74/05/180377405.db2.gz OVGQAIORTZXYBT-GFCCVEGCSA-N 2 0 255.431 2.045 10 0 CEAERP CCCNc1cc[nH+]c(CN(C)C2CC[NH+](C)CC2)c1 ZINC000092417982 180380909 /nfs/dbraw/zinc/38/09/09/180380909.db2.gz PDYHARIWQZOIAX-UHFFFAOYSA-N 2 0 276.428 2.430 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000107347644 186170172 /nfs/dbraw/zinc/17/01/72/186170172.db2.gz HVPBJHHUCMEGDG-INIZCTEOSA-N 2 0 297.487 2.489 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000107352834 186171176 /nfs/dbraw/zinc/17/11/76/186171176.db2.gz LCZCBQMIIMFCGG-OAHLLOKOSA-N 2 0 283.460 2.051 10 0 CEAERP C[NH2+]Cc1cc(OCCC[NH+](C)C)c2ccccc2n1 ZINC000109590670 186265265 /nfs/dbraw/zinc/26/52/65/186265265.db2.gz RHDVMRKSNKZRLF-UHFFFAOYSA-N 2 0 273.380 2.285 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000109603756 186267248 /nfs/dbraw/zinc/26/72/48/186267248.db2.gz XGBGGPIXQLEHSN-CYBMUJFWSA-N 2 0 294.370 2.060 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000109604171 186267285 /nfs/dbraw/zinc/26/72/85/186267285.db2.gz XLHQZHYGXRHRDL-HNNXBMFYSA-N 2 0 294.370 2.202 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000109463108 186254348 /nfs/dbraw/zinc/25/43/48/186254348.db2.gz ZXPNQPMHUXNXJA-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP C[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000110812120 186326245 /nfs/dbraw/zinc/32/62/45/186326245.db2.gz KFJNMGKKYISXGX-CQSZACIVSA-N 2 0 293.459 2.288 10 0 CEAERP COc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704705 186314419 /nfs/dbraw/zinc/31/44/19/186314419.db2.gz VDKHMLKETKHVBN-CJNGLKHVSA-N 2 0 291.439 2.110 10 0 CEAERP CCOc1cccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](CC)C2)c1 ZINC000110710079 186315905 /nfs/dbraw/zinc/31/59/05/186315905.db2.gz WDBCVWYUVVYEDQ-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP COc1ccc(C)cc1[C@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716389 186316477 /nfs/dbraw/zinc/31/64/77/186316477.db2.gz GFIHNCOTJBSSSM-OAHLLOKOSA-N 2 0 291.439 2.029 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717148 186316550 /nfs/dbraw/zinc/31/65/50/186316550.db2.gz IMFONBICKLPSAG-GDBMZVCRSA-N 2 0 275.440 2.362 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CC[N@@H+]1C ZINC000110709871 186316593 /nfs/dbraw/zinc/31/65/93/186316593.db2.gz IJYUJRQINISYNR-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CC(C)[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110752326 186321026 /nfs/dbraw/zinc/32/10/26/186321026.db2.gz YMRQZGBMMUCFHV-RDJZCZTQSA-N 2 0 275.440 2.362 10 0 CEAERP C[C@H]1CN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC[N@@H+]1C ZINC000110752336 186322217 /nfs/dbraw/zinc/32/22/17/186322217.db2.gz DULRJURTFIAMFF-YOEHRIQHSA-N 2 0 273.424 2.116 10 0 CEAERP C[C@@H](C[NH2+]Cc1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757902 186322236 /nfs/dbraw/zinc/32/22/36/186322236.db2.gz AWFWNRRUGIPSHS-ZDUSSCGKSA-N 2 0 281.469 2.252 10 0 CEAERP O=c1[nH]c([NH2+]CC[C@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000110793315 186325036 /nfs/dbraw/zinc/32/50/36/186325036.db2.gz UZOIHXBHRXTVGF-GFCCVEGCSA-N 2 0 271.364 2.330 10 0 CEAERP CC(C)CC[C@H](C)[NH2+]CCN(C)CCC[NH+](C)C ZINC000111150833 186361024 /nfs/dbraw/zinc/36/10/24/186361024.db2.gz CDBAKYBJEBOIAJ-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)CC[NH+](C)C)oc1C ZINC000111149734 186361278 /nfs/dbraw/zinc/36/12/78/186361278.db2.gz JNRXTGOWARSOTG-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N(C)CCC[NH+](C)C)sc21 ZINC000111151389 186361293 /nfs/dbraw/zinc/36/12/93/186361293.db2.gz XLGRWILUXPTPRB-LLVKDONJSA-N 2 0 282.457 2.128 10 0 CEAERP Cc1ccsc1C[NH2+]CCN(C)CCC[NH+](C)C ZINC000111151020 186361296 /nfs/dbraw/zinc/36/12/96/186361296.db2.gz HSMHXNZPMFJUQO-UHFFFAOYSA-N 2 0 269.458 2.030 10 0 CEAERP CCOCC[N@H+](CC)CC[C@H]([NH3+])c1ccccc1 ZINC000111122879 186354686 /nfs/dbraw/zinc/35/46/86/186354686.db2.gz IKLHEHMDCSIVEE-HNNXBMFYSA-N 2 0 250.386 2.435 10 0 CEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)CCC[NH+](C)C ZINC000111133861 186355948 /nfs/dbraw/zinc/35/59/48/186355948.db2.gz GGVMGNGDTXBJNP-GJZGRUSLSA-N 2 0 257.466 2.414 10 0 CEAERP CN(CCC[NH+](C)C)[C@](C)(C[NH3+])CCc1ccccc1 ZINC000111133492 186356138 /nfs/dbraw/zinc/35/61/38/186356138.db2.gz ZITUYZKWVNMPGH-KRWDZBQOSA-N 2 0 277.456 2.220 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)CCC[NH+](C)C ZINC000111131610 186356403 /nfs/dbraw/zinc/35/64/03/186356403.db2.gz WYYUXUZNCOAVES-DZGCQCFKSA-N 2 0 267.417 2.250 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136330 186356987 /nfs/dbraw/zinc/35/69/87/186356987.db2.gz YVOYOEFCVHQOKK-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)CC[NH+](C)C)C1 ZINC000111134451 186357249 /nfs/dbraw/zinc/35/72/49/186357249.db2.gz YXRZLGHEWSXWHU-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N(C)CC[NH+](C)C ZINC000111135514 186357672 /nfs/dbraw/zinc/35/76/72/186357672.db2.gz ALEFNYWLQSJRSB-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111135786 186358144 /nfs/dbraw/zinc/35/81/44/186358144.db2.gz ZNVCIZYSIUZFLK-QLFBSQMISA-N 2 0 255.450 2.166 10 0 CEAERP CCC[NH2+]Cc1nc(C(C)C)ncc1N(C)CC[NH+](C)C ZINC000111149051 186359364 /nfs/dbraw/zinc/35/93/64/186359364.db2.gz YLURVRONAWQOCG-UHFFFAOYSA-N 2 0 293.459 2.097 10 0 CEAERP C[C@H]1CCC[C@H]([NH2+]CCN(C)CCC[NH+](C)C)C1 ZINC000111150844 186359863 /nfs/dbraw/zinc/35/98/63/186359863.db2.gz BGBLJERJMSJMSD-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174818 186364978 /nfs/dbraw/zinc/36/49/78/186364978.db2.gz FZRXDYQDNYCOGY-KBPBESRZSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2CCCSCC2)CCCOC1 ZINC000111328480 186399840 /nfs/dbraw/zinc/39/98/40/186399840.db2.gz KJPKUHNBGUXQAF-OAHLLOKOSA-N 2 0 286.485 2.220 10 0 CEAERP Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1CC[NH3+] ZINC000111481955 186423070 /nfs/dbraw/zinc/42/30/70/186423070.db2.gz UELGPMROUSADER-KRWDZBQOSA-N 2 0 273.424 2.171 10 0 CEAERP c1nc(CC[NH2+]CCC[C@@H]2CCCC[NH2+]2)cs1 ZINC000111630309 186434537 /nfs/dbraw/zinc/43/45/37/186434537.db2.gz DMDQQFQZCDFYAW-LBPRGKRZSA-N 2 0 253.415 2.198 10 0 CEAERP C(C[NH+]1CCC2(CCCC2)CC1)OC1CC[NH2+]CC1 ZINC000111761487 186454224 /nfs/dbraw/zinc/45/42/24/186454224.db2.gz XBYUDHSOOJGWRV-UHFFFAOYSA-N 2 0 266.429 2.411 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250646153 539967183 /nfs/dbraw/zinc/96/71/83/539967183.db2.gz JXLGATKKFURHDF-GBJTYRQASA-N 2 0 252.402 2.066 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250646150 539967219 /nfs/dbraw/zinc/96/72/19/539967219.db2.gz JXLGATKKFURHDF-BYNSBNAKSA-N 2 0 252.402 2.066 10 0 CEAERP C[N@H+](CCOCc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000309884126 539984446 /nfs/dbraw/zinc/98/44/46/539984446.db2.gz KPIJVKMQRBJYMD-MRXNPFEDSA-N 2 0 262.397 2.277 10 0 CEAERP COc1cccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133525878 366232271 /nfs/dbraw/zinc/23/22/71/366232271.db2.gz KIJGKXHYORIQLE-NVXWUHKLSA-N 2 0 291.439 2.030 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000390517795 540390764 /nfs/dbraw/zinc/39/07/64/540390764.db2.gz DOKJSBAJAKZJOK-BMFZPTHFSA-N 2 0 262.397 2.451 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC000179517774 189199128 /nfs/dbraw/zinc/19/91/28/189199128.db2.gz WKJNFMMLIDNJMV-ZDUSSCGKSA-N 2 0 282.453 2.273 10 0 CEAERP CC1CCC(C[NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000089575600 363979503 /nfs/dbraw/zinc/97/95/03/363979503.db2.gz SFYWJTMIDWKLBP-UHFFFAOYSA-N 2 0 267.461 2.040 10 0 CEAERP OCC[C@@H]([NH2+]C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095078798 364334016 /nfs/dbraw/zinc/33/40/16/364334016.db2.gz OZUTYNJENZEIRC-SJLPKXTDSA-N 2 0 288.435 2.402 10 0 CEAERP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000162616918 367173546 /nfs/dbraw/zinc/17/35/46/367173546.db2.gz PRYDOPYTDAMHAJ-HZPDHXFCSA-N 2 0 297.487 2.201 10 0 CEAERP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000162616505 367173632 /nfs/dbraw/zinc/17/36/32/367173632.db2.gz PRYDOPYTDAMHAJ-HOTGVXAUSA-N 2 0 297.487 2.201 10 0 CEAERP C[C@@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400392064 296122242 /nfs/dbraw/zinc/12/22/42/296122242.db2.gz IMIRZMMIJHLIIG-ZIAGYGMSSA-N 2 0 299.459 2.173 10 0 CEAERP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231462854 370480745 /nfs/dbraw/zinc/48/07/45/370480745.db2.gz QRNBYIJLNYMMLT-CQSZACIVSA-N 2 0 276.380 2.032 10 0 CEAERP CC[N@@H+]1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](CC)CC2 ZINC000257189066 371606170 /nfs/dbraw/zinc/60/61/70/371606170.db2.gz HJMPJRAHMXWREX-ZDUSSCGKSA-N 2 0 278.400 2.247 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSc3ccccc3)C[C@H]12 ZINC000261558242 371645692 /nfs/dbraw/zinc/64/56/92/371645692.db2.gz DBNBYFAWUNPPNB-VHDGCEQUSA-N 2 0 262.422 2.448 10 0 CEAERP CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261579781 371659284 /nfs/dbraw/zinc/65/92/84/371659284.db2.gz DXLJHONWXHRZEF-QEJZJMRPSA-N 2 0 260.381 2.254 10 0 CEAERP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261705950 371707093 /nfs/dbraw/zinc/70/70/93/371707093.db2.gz IYYWYKYXPCFQIV-XHSDSOJGSA-N 2 0 274.408 2.351 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261792269 371734334 /nfs/dbraw/zinc/73/43/34/371734334.db2.gz GHFVTQIKRMWCOM-GUTXKFCHSA-N 2 0 278.371 2.394 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261695775 371703059 /nfs/dbraw/zinc/70/30/59/371703059.db2.gz BIKQNICHZZKCAU-HOCLYGCPSA-N 3 0 276.428 2.082 10 0 CEAERP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cs1 ZINC000261925566 371772439 /nfs/dbraw/zinc/77/24/39/371772439.db2.gz LAMZDDDBZPYYEC-KFWWJZLASA-N 2 0 280.437 2.037 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]12 ZINC000261986725 371790551 /nfs/dbraw/zinc/79/05/51/371790551.db2.gz RYGFGUBYGZFCND-LEWSCRJBSA-N 2 0 288.420 2.307 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000262718188 371901684 /nfs/dbraw/zinc/90/16/84/371901684.db2.gz XGYFRFAOGGLHAX-INIZCTEOSA-N 2 0 283.460 2.084 10 0 CEAERP CCC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262905051 371920677 /nfs/dbraw/zinc/92/06/77/371920677.db2.gz BWUIZQCFAPFWAO-NSHDSACASA-N 2 0 289.301 2.230 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000333320263 205216378 /nfs/dbraw/zinc/21/63/78/205216378.db2.gz UJNPBWYPCRHSLC-KOHJWAIASA-N 2 0 273.380 2.320 10 0 CEAERP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456968 373126944 /nfs/dbraw/zinc/12/69/44/373126944.db2.gz KXMUMPRFORGTFT-OWCLPIDISA-N 2 0 267.461 2.229 10 0 CEAERP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000380177747 375160038 /nfs/dbraw/zinc/16/00/38/375160038.db2.gz ODQYIZCGMBJVNX-BPNCWPANSA-N 2 0 250.411 2.480 10 0 CEAERP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1O)N(C)Cc1ccccc1 ZINC000390698915 375312014 /nfs/dbraw/zinc/31/20/14/375312014.db2.gz JIGUNNNHSRFNOY-USXIJHARSA-N 2 0 276.424 2.400 10 0 CEAERP FC(F)(F)C1CCC(C[NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000414882966 376011755 /nfs/dbraw/zinc/01/17/55/376011755.db2.gz NDGDRECCLGJVDP-ILDUYXDCSA-N 2 0 250.308 2.307 10 0 CEAERP CC(C)[NH+](CCNC(=O)[C@@]1([NH3+])CCC[C@H](C)C1)C(C)C ZINC000080903411 177725608 /nfs/dbraw/zinc/72/56/08/177725608.db2.gz PVJIBRMMQGLSCZ-GOEBONIOSA-N 2 0 283.460 2.129 10 0 CEAERP CC[C@H]1CC[C@@](CN)([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000080464608 177654705 /nfs/dbraw/zinc/65/47/05/177654705.db2.gz PGRZPRCRAVJCME-GOEBONIOSA-N 2 0 267.461 2.168 10 0 CEAERP C(C1CC[NH2+]CC1)[N@H+](C1CC1)[C@H]1CCCSC1 ZINC000094021709 184750596 /nfs/dbraw/zinc/75/05/96/184750596.db2.gz VEAJBOVLAVMWMW-AWEZNQCLSA-N 2 0 254.443 2.346 10 0 CEAERP CC[NH2+][C@H]1[C@H](N(C)CC[NH+](C)C)CCCC1(C)C ZINC000094275752 184774341 /nfs/dbraw/zinc/77/43/41/184774341.db2.gz IOAMOBGYVHSSNQ-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]CC1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094413718 184794554 /nfs/dbraw/zinc/79/45/54/184794554.db2.gz QDMMBOROWIMABL-HZPDHXFCSA-N 2 0 298.496 2.363 10 0 CEAERP CC[NH2+][C@H](CCN1CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000094829972 184876597 /nfs/dbraw/zinc/87/65/97/184876597.db2.gz LPKYFLZFVPKRFQ-MRXNPFEDSA-N 2 0 297.393 2.253 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@]2(C)CCCC[NH2+]2)([NH+](C)C)C1 ZINC000136204431 296493505 /nfs/dbraw/zinc/49/35/05/296493505.db2.gz OCDSOJSSSXACRG-PVAVHDDUSA-N 2 0 295.471 2.145 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000089482684 135059173 /nfs/dbraw/zinc/05/91/73/135059173.db2.gz SUBDKSBNRGXPSY-DLBZAZTESA-N 2 0 287.451 2.492 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2ccccc2C[NH2+]C2CC2)C1 ZINC000091394564 135069082 /nfs/dbraw/zinc/06/90/82/135069082.db2.gz QGJOKHADIJWDSK-MRXNPFEDSA-N 2 0 273.424 2.469 10 0 CEAERP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1CC[NH3+] ZINC000091432019 135069862 /nfs/dbraw/zinc/06/98/62/135069862.db2.gz QMOOYTFTHIGGFF-INIZCTEOSA-N 2 0 261.413 2.027 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091433210 135069968 /nfs/dbraw/zinc/06/99/68/135069968.db2.gz BSWLBXJLBSPDFZ-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cc(C[NH3+])nc3ccccc32)C1 ZINC000091449195 135070504 /nfs/dbraw/zinc/07/05/04/135070504.db2.gz XWLDXZFIEQRPMR-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091449211 135070512 /nfs/dbraw/zinc/07/05/12/135070512.db2.gz VJOAYDCFACKBQV-OAHLLOKOSA-N 2 0 290.455 2.338 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208899 135075639 /nfs/dbraw/zinc/07/56/39/135075639.db2.gz HSCUFMJABQSVQB-DZGCQCFKSA-N 2 0 291.826 2.365 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208959 135076235 /nfs/dbraw/zinc/07/62/35/135076235.db2.gz ICNRQDPZXQLCJF-DZGCQCFKSA-N 2 0 291.826 2.365 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000262590667 394620370 /nfs/dbraw/zinc/62/03/70/394620370.db2.gz UTLACDMGIJSFLR-VYDXJSESSA-N 2 0 289.423 2.066 10 0 CEAERP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422784247 394782519 /nfs/dbraw/zinc/78/25/19/394782519.db2.gz IMVBDTOKQPGECF-WFVVYAPDSA-N 2 0 273.424 2.162 10 0 CEAERP CC(=[NH2+])N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000307731158 400340164 /nfs/dbraw/zinc/34/01/64/400340164.db2.gz MHPWVHQAWVACKK-BZUAXINKSA-N 2 0 257.381 2.484 10 0 CEAERP C[NH2+][C@@H](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000005919529 170155344 /nfs/dbraw/zinc/15/53/44/170155344.db2.gz BHINADVDXKAGMD-ZDUSSCGKSA-N 2 0 250.386 2.168 10 0 CEAERP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020049053 170978950 /nfs/dbraw/zinc/97/89/50/170978950.db2.gz ZKXFOIQQEQRWBR-KBPBESRZSA-N 2 0 271.449 2.001 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179634 171044003 /nfs/dbraw/zinc/04/40/03/171044003.db2.gz PPMIXQCQEOUWRM-HNNXBMFYSA-N 2 0 281.831 2.367 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179654 171044579 /nfs/dbraw/zinc/04/45/79/171044579.db2.gz RXVZHTJYIWHISY-HNNXBMFYSA-N 2 0 281.831 2.367 10 0 CEAERP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020316000 171146112 /nfs/dbraw/zinc/14/61/12/171146112.db2.gz FQOYMIIAGMGLER-KBPBESRZSA-N 2 0 271.449 2.001 10 0 CEAERP C[NH+](C)[C@@H](CC[NH3+])COc1cccc2ccccc21 ZINC000020401641 171182224 /nfs/dbraw/zinc/18/22/24/171182224.db2.gz HRVIAPDGCIQSGZ-AWEZNQCLSA-N 2 0 258.365 2.498 10 0 CEAERP Cc1cc(Cl)ccc1OC[C@@H](CC[NH3+])[NH+](C)C ZINC000020401671 171182499 /nfs/dbraw/zinc/18/24/99/171182499.db2.gz XKOCSHYJLCUAAN-GFCCVEGCSA-N 2 0 256.777 2.306 10 0 CEAERP [NH3+]C1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020521643 171235035 /nfs/dbraw/zinc/23/50/35/171235035.db2.gz YZUIUMRARJTWSP-UHFFFAOYSA-N 2 0 273.424 2.074 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022211702 171373991 /nfs/dbraw/zinc/37/39/91/171373991.db2.gz UPNZHPTZVINGTP-MCIONIFRSA-N 2 0 289.423 2.450 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022221498 171378068 /nfs/dbraw/zinc/37/80/68/171378068.db2.gz MYKICRPBHCBHOA-KRWDZBQOSA-N 2 0 275.440 2.275 10 0 CEAERP COc1ccc(C)cc1[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000023067810 171408878 /nfs/dbraw/zinc/40/88/78/171408878.db2.gz MTGAOXKQIVRYNT-MRXNPFEDSA-N 2 0 291.439 2.029 10 0 CEAERP C[N@H+](CCOc1ccc(CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000035725172 172379757 /nfs/dbraw/zinc/37/97/57/172379757.db2.gz HFFTXZSVNSTNOK-CQSZACIVSA-N 2 0 280.437 2.004 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCc2ccccn2)CC1 ZINC000037209710 173031368 /nfs/dbraw/zinc/03/13/68/173031368.db2.gz ALTMDYIDOHYRII-CQSZACIVSA-N 2 0 261.413 2.334 10 0 CEAERP C[NH+]1CCN(CC[NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000037496770 173235549 /nfs/dbraw/zinc/23/55/49/173235549.db2.gz ALEYWQPGVZYRLA-UHFFFAOYSA-N 2 0 289.467 2.321 10 0 CEAERP CCN1CCC([NH2+][C@@H](C)C2CC[NH+](CC)CC2)CC1 ZINC000038098057 174112811 /nfs/dbraw/zinc/11/28/11/174112811.db2.gz UZFIBLABQQBBHY-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]1CCC[C@@](CNC(=O)C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040670593 174369068 /nfs/dbraw/zinc/36/90/68/174369068.db2.gz USPDDRCIHJNGMH-WMLDXEAASA-N 2 0 295.471 2.145 10 0 CEAERP CCCC[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694470 174378098 /nfs/dbraw/zinc/37/80/98/174378098.db2.gz SYKBSSARPISNKX-HNNXBMFYSA-N 2 0 267.461 2.454 10 0 CEAERP C(CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C1CCCC1 ZINC000040694488 174378290 /nfs/dbraw/zinc/37/82/90/174378290.db2.gz PCGBMWOLERCLGX-UHFFFAOYSA-N 2 0 279.472 2.469 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1F ZINC000040749251 174394177 /nfs/dbraw/zinc/39/41/77/174394177.db2.gz YOJHPSUYGJMISQ-YHWZYXNKSA-N 2 0 252.308 2.419 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N2CCc3sccc3[C@@H]2C)CC1 ZINC000042744182 174864043 /nfs/dbraw/zinc/86/40/43/174864043.db2.gz OYLYFJGRPMBMNK-ZDUSSCGKSA-N 2 0 293.480 2.480 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000042902603 174906920 /nfs/dbraw/zinc/90/69/20/174906920.db2.gz ADLJKOCMOYWIQE-PBHICJAKSA-N 2 0 275.440 2.491 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N(C)C1CC[NH+](C)CC1 ZINC000043102538 174967852 /nfs/dbraw/zinc/96/78/52/174967852.db2.gz KFJOKNAFJOEJBI-FZMZJTMJSA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[N@H+](C)CC1 ZINC000043363934 175024993 /nfs/dbraw/zinc/02/49/93/175024993.db2.gz FKODOIFEQZKTHS-DZGCQCFKSA-N 2 0 265.401 2.004 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N(CC[NH+](C)C)CC(C)C)C(F)(F)F ZINC000043379259 175031033 /nfs/dbraw/zinc/03/10/33/175031033.db2.gz NRPICWKTJXFOQX-NEPJUHHUSA-N 2 0 283.382 2.174 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000043393840 175034692 /nfs/dbraw/zinc/03/46/92/175034692.db2.gz AYSSVXAOHOVZFS-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043810870 175110079 /nfs/dbraw/zinc/11/00/79/175110079.db2.gz CROFWRQMJFEZHJ-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810928 175110183 /nfs/dbraw/zinc/11/01/83/175110183.db2.gz DMRQSNJSDUFAGK-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043897418 175120556 /nfs/dbraw/zinc/12/05/56/175120556.db2.gz UVKCRXBNRMRPAL-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907710 175123173 /nfs/dbraw/zinc/12/31/73/175123173.db2.gz QZXCQIZIFMGALP-HZPDHXFCSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000043967567 175128282 /nfs/dbraw/zinc/12/82/82/175128282.db2.gz QBBJXGZTGWHKQW-SFHVURJKSA-N 2 0 287.451 2.344 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967769 175129253 /nfs/dbraw/zinc/12/92/53/175129253.db2.gz DGRNQRPGXQNJKX-IAGOWNOFSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044763332 175247589 /nfs/dbraw/zinc/24/75/89/175247589.db2.gz SNDZARHRWSLYIH-UHFFFAOYSA-N 2 0 295.471 2.228 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000045171444 175321309 /nfs/dbraw/zinc/32/13/09/175321309.db2.gz RQRRCUOPBLFXED-BXUZGUMPSA-N 2 0 276.428 2.172 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000045173277 175322304 /nfs/dbraw/zinc/32/23/04/175322304.db2.gz VEKYBXXUVDSFMS-RLAWYHOSSA-N 2 0 262.401 2.052 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367416 175363028 /nfs/dbraw/zinc/36/30/28/175363028.db2.gz RKICLWKYRYCKKU-HOCLYGCPSA-N 2 0 283.460 2.275 10 0 CEAERP CCCC[NH+](CCCC)CCCC[C@@](C)([NH3+])C(N)=O ZINC000045380574 175368911 /nfs/dbraw/zinc/36/89/11/175368911.db2.gz GTCOOOORKFWYEY-OAHLLOKOSA-N 2 0 271.449 2.262 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379748 175369036 /nfs/dbraw/zinc/36/90/36/175369036.db2.gz DKTOJYOQXFPMLA-OFQRWUPVSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)CC(C)C ZINC000045381789 175370456 /nfs/dbraw/zinc/37/04/56/175370456.db2.gz DHFMRZSNOBMVME-CQSZACIVSA-N 2 0 258.406 2.025 10 0 CEAERP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045391506 175374356 /nfs/dbraw/zinc/37/43/56/175374356.db2.gz LPUNCTINQIHMAK-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CCC(CC)[N@H+](C)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045391502 175374993 /nfs/dbraw/zinc/37/49/93/175374993.db2.gz LPUNCTINQIHMAK-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000045392828 175375710 /nfs/dbraw/zinc/37/57/10/175375710.db2.gz HVDRUEBOYUOLFL-WFASDCNBSA-N 2 0 270.417 2.168 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCCC[C@@H]2C)O1 ZINC000070413122 175915058 /nfs/dbraw/zinc/91/50/58/175915058.db2.gz OTSBBFCOUVFFFJ-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H](c1ccccc1)[N@@H+]1CCCN(CCC[NH3+])CC1 ZINC000070543881 175978893 /nfs/dbraw/zinc/97/88/93/175978893.db2.gz CZRZOEIRXAJNKO-HNNXBMFYSA-N 2 0 261.413 2.104 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070941107 176014878 /nfs/dbraw/zinc/01/48/78/176014878.db2.gz BBFJUPCBRAPRSA-CVEARBPZSA-N 2 0 290.407 2.147 10 0 CEAERP CC(C)[N@H+](CCC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071044743 176029567 /nfs/dbraw/zinc/02/95/67/176029567.db2.gz LVZBKLAWOZSQMR-MRXNPFEDSA-N 2 0 262.397 2.360 10 0 CEAERP C[NH+](C)CCCC[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071091050 176031254 /nfs/dbraw/zinc/03/12/54/176031254.db2.gz XKSYQMGUFGZNBV-MRXNPFEDSA-N 2 0 262.397 2.232 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)C1 ZINC000071123888 176034903 /nfs/dbraw/zinc/03/49/03/176034903.db2.gz RBTOTZADFLDTFI-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071124577 176035191 /nfs/dbraw/zinc/03/51/91/176035191.db2.gz QIHSMIDZQGRVHL-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146119 176042824 /nfs/dbraw/zinc/04/28/24/176042824.db2.gz ZEHQLJFEPDIIOC-CQSZACIVSA-N 2 0 289.423 2.193 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000071161858 176046350 /nfs/dbraw/zinc/04/63/50/176046350.db2.gz UBYOOEPWPAMBJI-GDBMZVCRSA-N 2 0 265.445 2.064 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188915 176063642 /nfs/dbraw/zinc/06/36/42/176063642.db2.gz VEKYICADVUSPIG-WCVJEAGWSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[C@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188675 176063951 /nfs/dbraw/zinc/06/39/51/176063951.db2.gz HUGUSAZEXXQHID-XUWVNRHRSA-N 2 0 267.461 2.166 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190662 176068730 /nfs/dbraw/zinc/06/87/30/176068730.db2.gz YIUMTOGMBGPMHH-OLMNPRSZSA-N 2 0 288.435 2.308 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191318 176069596 /nfs/dbraw/zinc/06/95/96/176069596.db2.gz INVKYCJNFPLHOU-YLFCFFPRSA-N 2 0 281.488 2.284 10 0 CEAERP CCC[NH2+]Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C ZINC000071192037 176072820 /nfs/dbraw/zinc/07/28/20/176072820.db2.gz YHMDVJWDYNPZRG-HNNXBMFYSA-N 2 0 293.455 2.471 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200586 176077615 /nfs/dbraw/zinc/07/76/15/176077615.db2.gz VSRSGKUVGCEYQS-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200587 176077924 /nfs/dbraw/zinc/07/79/24/176077924.db2.gz YURUTTQXJSXBLW-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)C1CC[NH+](CCCCCC[NH2+]C2CC2)CC1 ZINC000071287960 176109719 /nfs/dbraw/zinc/10/97/19/176109719.db2.gz UQFNPUSJQZOKJD-UHFFFAOYSA-N 3 0 267.461 2.325 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000071289822 176110511 /nfs/dbraw/zinc/11/05/11/176110511.db2.gz OMZOVAHNHKXABQ-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CC1CC[NH+](C)CC1 ZINC000071293926 176111696 /nfs/dbraw/zinc/11/16/96/176111696.db2.gz LNCOFJIFTCPUMK-UHFFFAOYSA-N 2 0 270.417 2.041 10 0 CEAERP [NH3+][C@H](CCC[NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000071401975 176153700 /nfs/dbraw/zinc/15/37/00/176153700.db2.gz WFZDMERMEUVDPR-NVXWUHKLSA-N 2 0 273.424 2.293 10 0 CEAERP CN1CCC[N@H+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401642 176154074 /nfs/dbraw/zinc/15/40/74/176154074.db2.gz WRSPOBAKAMKHSV-INIZCTEOSA-N 2 0 261.413 2.104 10 0 CEAERP COc1cccc(CC[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000071589152 176217419 /nfs/dbraw/zinc/21/74/19/176217419.db2.gz NQRZVDPVVVUSFZ-UHFFFAOYSA-N 2 0 262.397 2.299 10 0 CEAERP COc1ccc(OCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000667007650 419510697 /nfs/dbraw/zinc/51/06/97/419510697.db2.gz JIMAWNAPWNKOFV-KBPBESRZSA-N 2 0 278.396 2.052 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000667008572 419514296 /nfs/dbraw/zinc/51/42/96/419514296.db2.gz UDRRIEAOYMSWRK-GZBFAFLISA-N 2 0 260.381 2.488 10 0 CEAERP C[C@@H]([NH3+])CC[NH2+]Cc1csc(Br)c1 ZINC000398010710 270355751 /nfs/dbraw/zinc/35/57/51/270355751.db2.gz SMGGLOMUQMENMT-SSDOTTSWSA-N 2 0 263.204 2.338 10 0 CEAERP C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000577204741 314351916 /nfs/dbraw/zinc/35/19/16/314351916.db2.gz DDAUDCZHAZPHQC-XIRDDKMYSA-N 2 0 275.440 2.267 10 0 CEAERP [NH3+]CC[C@H](Nc1cc[nH+]c2ccccc12)C(F)F ZINC000383433093 321847810 /nfs/dbraw/zinc/84/78/10/321847810.db2.gz ICWATPOWLFNXOH-LBPRGKRZSA-N 2 0 251.280 2.051 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573457 519744305 /nfs/dbraw/zinc/74/43/05/519744305.db2.gz DEIQFDAXLYIREJ-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1C ZINC000061655590 519975913 /nfs/dbraw/zinc/97/59/13/519975913.db2.gz VJUIOCMKEZCZNR-ZDUSSCGKSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)on1 ZINC000052510029 519991824 /nfs/dbraw/zinc/99/18/24/519991824.db2.gz IBQSONXBNDMJCK-RYUDHWBXSA-N 2 0 251.374 2.405 10 0 CEAERP CCC(C)(C)[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000069446800 521300165 /nfs/dbraw/zinc/30/01/65/521300165.db2.gz LYEXCJLDFBNMGT-HNNXBMFYSA-N 2 0 271.449 2.129 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055063853 522132626 /nfs/dbraw/zinc/13/26/26/522132626.db2.gz VHWSECPMCIHFFL-NFAWXSAZSA-N 2 0 265.401 2.084 10 0 CEAERP C[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545325 522139580 /nfs/dbraw/zinc/13/95/80/522139580.db2.gz HHRIRPCOCWPQHL-LBPRGKRZSA-N 2 0 266.385 2.246 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181418 518712820 /nfs/dbraw/zinc/71/28/20/518712820.db2.gz INPBBOVVSGAFAL-UHFFFAOYSA-N 2 0 294.468 2.400 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000061711821 518752698 /nfs/dbraw/zinc/75/26/98/518752698.db2.gz NXWBGGGCJBECDW-ZDUSSCGKSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)(C)[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CCCO)CCOC1 ZINC000052763316 518760219 /nfs/dbraw/zinc/76/02/19/518760219.db2.gz DUPCWDOCPHMLLL-NVXWUHKLSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)[NH+](CCN1[C@@H]2CC[C@H]1CC([NH3+])C2)C(C)C ZINC000054627380 519646359 /nfs/dbraw/zinc/64/63/59/519646359.db2.gz QBFUIXLVYHHVJE-GOOCMWNKSA-N 2 0 253.434 2.059 10 0 CEAERP CC(C)CC[C@@H](C)[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655088 519682298 /nfs/dbraw/zinc/68/22/98/519682298.db2.gz WCPIWBYWUADLIH-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423976 519725592 /nfs/dbraw/zinc/72/55/92/519725592.db2.gz AZTUILDTVROBRO-IAGOWNOFSA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055079103 519727307 /nfs/dbraw/zinc/72/73/07/519727307.db2.gz DPHPCODUNLNUMY-JKSUJKDBSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]([C@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055101271 519727359 /nfs/dbraw/zinc/72/73/59/519727359.db2.gz VQRCSBSUJDJPHR-KBPBESRZSA-N 2 0 255.450 2.022 10 0 CEAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000055078400 519728426 /nfs/dbraw/zinc/72/84/26/519728426.db2.gz SONIWCVVCDRQQN-HZPDHXFCSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[NH2+]Cc1nc(COCCC[NH+](C)C)cs1 ZINC000052672150 519729029 /nfs/dbraw/zinc/72/90/29/519729029.db2.gz XROPBMGIPRGJQI-UHFFFAOYSA-N 2 0 271.430 2.109 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654415 519730137 /nfs/dbraw/zinc/73/01/37/519730137.db2.gz HSYVPZUFHHYPQX-HNNXBMFYSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083112 519744196 /nfs/dbraw/zinc/74/41/96/519744196.db2.gz DVMQLEJSLYJYKB-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453608 519745169 /nfs/dbraw/zinc/74/51/69/519745169.db2.gz RHEVCHAKYNLSPB-QLFBSQMISA-N 2 0 286.485 2.217 10 0 CEAERP CC(C)C[NH2+]C[C@H](OCC[NH+]1CCCC1)C(C)C ZINC000052670024 519746190 /nfs/dbraw/zinc/74/61/90/519746190.db2.gz DEYNSGDVCQTHFE-HNNXBMFYSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[NH2+]Cc1cc2c(cc1OCC[NH+](C)C)OCO2 ZINC000062733920 519747262 /nfs/dbraw/zinc/74/72/62/519747262.db2.gz KVYXVLHFWFYURF-UHFFFAOYSA-N 2 0 294.395 2.101 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)OCC[C@H]1CCC[N@@H+]1C ZINC000052672828 519815758 /nfs/dbraw/zinc/81/57/58/519815758.db2.gz VDAMRJJPJXCHET-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(C)Cc2ccc(F)cc2)CC1 ZINC000048874991 519842149 /nfs/dbraw/zinc/84/21/49/519842149.db2.gz DBFVASOLJFEIRY-UHFFFAOYSA-N 2 0 293.430 2.461 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545866 519859473 /nfs/dbraw/zinc/85/94/73/519859473.db2.gz VJANZLNAADLGRH-INIZCTEOSA-N 2 0 279.403 2.162 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CC[N@H+](C)C1 ZINC000054602143 519907648 /nfs/dbraw/zinc/90/76/48/519907648.db2.gz QMWVRGBEACCSKP-MGNMYUMUSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCCO1 ZINC000054628717 519911237 /nfs/dbraw/zinc/91/12/37/519911237.db2.gz RQYADLANLYPBMU-DKUMPPAJSA-N 2 0 252.402 2.160 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N(CCC)CC[NH+](C)C ZINC000052544098 519919936 /nfs/dbraw/zinc/91/99/36/519919936.db2.gz HRJVWLRABVHCGB-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074826 519920382 /nfs/dbraw/zinc/92/03/82/519920382.db2.gz RKVMGVQJAKGBPO-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483150 519923721 /nfs/dbraw/zinc/92/37/21/519923721.db2.gz ZIMLLTGVLDHPGN-IRXDYDNUSA-N 2 0 291.439 2.103 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382047 519924009 /nfs/dbraw/zinc/92/40/09/519924009.db2.gz ZIIPFHFHQOPGEL-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419944 519949747 /nfs/dbraw/zinc/94/97/47/519949747.db2.gz VJHCPROVBKIMQE-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)C2CCCC2)O1 ZINC000052475582 519951972 /nfs/dbraw/zinc/95/19/72/519951972.db2.gz BQUCDHYAEYPMAF-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)Cc2ccncc2)O1 ZINC000052515068 519954245 /nfs/dbraw/zinc/95/42/45/519954245.db2.gz ZZASOWSJBWCSAO-JKSUJKDBSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CC[NH+](CC(C)C)CC2)n1 ZINC000055082602 519954448 /nfs/dbraw/zinc/95/44/48/519954448.db2.gz QRCWBXDTTVCVTE-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CCC[NH2+]Cc1cccnc1N(C)CC[NH+]1CCCC1 ZINC000063053913 519956130 /nfs/dbraw/zinc/95/61/30/519956130.db2.gz ANIBVUZKGJVNAV-UHFFFAOYSA-N 2 0 276.428 2.113 10 0 CEAERP CC[NH2+]C[C@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC000052670536 519974486 /nfs/dbraw/zinc/97/44/86/519974486.db2.gz ZXAFKLHPTUOTHK-INIZCTEOSA-N 2 0 262.397 2.450 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1CC ZINC000054968959 519974722 /nfs/dbraw/zinc/97/47/22/519974722.db2.gz NTFNCCGYHFXNRI-UHFFFAOYSA-N 2 0 296.484 2.347 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069288288 519986508 /nfs/dbraw/zinc/98/65/08/519986508.db2.gz IREFTHCVDMTSSN-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000052380768 519995718 /nfs/dbraw/zinc/99/57/18/519995718.db2.gz ZQLLTDNCZOHSMY-KBPBESRZSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654539 520006899 /nfs/dbraw/zinc/00/68/99/520006899.db2.gz NYNDJLOFJFTHBL-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CCC[C@H]1C[NH+](C)C ZINC000061646064 520008550 /nfs/dbraw/zinc/00/85/50/520008550.db2.gz DKCONGMGXSDTJZ-HNNXBMFYSA-N 2 0 261.413 2.327 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(F)cc1OCC[NH+](C)C ZINC000062747080 520076153 /nfs/dbraw/zinc/07/61/53/520076153.db2.gz VENBWLUTGHLLGA-NSHDSACASA-N 2 0 254.349 2.437 10 0 CEAERP CC[NH2+][C@@H](CCN1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000054046520 520088679 /nfs/dbraw/zinc/08/86/79/520088679.db2.gz NHRGWZDNVQJLFF-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CCCCC[N@H+](CCn1cc(C[NH2+]C2CC2)nn1)C(C)C ZINC000052544806 520174994 /nfs/dbraw/zinc/17/49/94/520174994.db2.gz UWGXYPBAANAVEM-UHFFFAOYSA-N 2 0 293.459 2.431 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](CCO)C1CCCCC1 ZINC000053875331 520213361 /nfs/dbraw/zinc/21/33/61/520213361.db2.gz GQXJCSRKDVSONV-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516481 520226637 /nfs/dbraw/zinc/22/66/37/520226637.db2.gz QBSFDDKUXGAPGP-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CCO[C@@H](C[NH3+])C[N@H+](CC)Cc1ccccc1C ZINC000062739591 520309553 /nfs/dbraw/zinc/30/95/53/520309553.db2.gz DWGNQDHLFGMYGO-HNNXBMFYSA-N 2 0 250.386 2.181 10 0 CEAERP CCCCC[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064792 520311290 /nfs/dbraw/zinc/31/12/90/520311290.db2.gz USVWQZGPLUFCAK-LSDHHAIUSA-N 2 0 255.450 2.310 10 0 CEAERP CCCC[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075276 520691699 /nfs/dbraw/zinc/69/16/99/520691699.db2.gz LOKFHOISOTZNRC-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)CCc1nc(C)cc(C[NH2+]CC(C)C)n1 ZINC000054832389 520711999 /nfs/dbraw/zinc/71/19/99/520711999.db2.gz XFEPVYREKQYTPN-UHFFFAOYSA-N 2 0 278.444 2.415 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(C(N)=[NH2+])cc2F)C1 ZINC000062980544 520849480 /nfs/dbraw/zinc/84/94/80/520849480.db2.gz VJQFSQXSLSUXBG-GFCCVEGCSA-N 2 0 278.375 2.030 10 0 CEAERP CCC[C@H](CN1CCC([NH+]2CCCCC2)CC1)[NH2+]C ZINC000050185100 521099870 /nfs/dbraw/zinc/09/98/70/521099870.db2.gz NJGPSRGTGRGUIW-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(N(C)CC[NH2+]CCc2cccs2)CC1 ZINC000053435810 521562904 /nfs/dbraw/zinc/56/29/04/521562904.db2.gz CUQFEVSEZWQZEJ-UHFFFAOYSA-N 2 0 295.496 2.296 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543950 521567476 /nfs/dbraw/zinc/56/74/76/521567476.db2.gz NQTGCAVQFOMTDD-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000052484103 521656335 /nfs/dbraw/zinc/65/63/35/521656335.db2.gz FEBFNKLZEHIVJF-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(F)cc1C ZINC000050579217 521657904 /nfs/dbraw/zinc/65/79/04/521657904.db2.gz PZPHESCCCYHPSC-INIZCTEOSA-N 2 0 281.419 2.408 10 0 CEAERP CCN1CC[NH+](CCCCC[NH2+]CC(C)C)CC1 ZINC000052422461 521679110 /nfs/dbraw/zinc/67/91/10/521679110.db2.gz AVRHRBUQYPLTKR-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC1(CC)CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000062958482 521687564 /nfs/dbraw/zinc/68/75/64/521687564.db2.gz FUQBYERKRNKZLK-ZIAGYGMSSA-N 2 0 254.418 2.395 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1c2ccccc2oc1C[NH3+] ZINC000061654397 521837533 /nfs/dbraw/zinc/83/75/33/521837533.db2.gz LRFDXNGSPOWXGF-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062787051 521844173 /nfs/dbraw/zinc/84/41/73/521844173.db2.gz XBDZXKFTBJNYHX-ZDUSSCGKSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068811946 521870927 /nfs/dbraw/zinc/87/09/27/521870927.db2.gz RSADQGSJYVXFIO-CABCVRRESA-N 2 0 287.407 2.459 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1c(C)nn(C)c1C ZINC000070283136 522056775 /nfs/dbraw/zinc/05/67/75/522056775.db2.gz XICXKKOISRTTBK-ZFWWWQNUSA-N 2 0 264.417 2.028 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346220 522058538 /nfs/dbraw/zinc/05/85/38/522058538.db2.gz YILZUWGIVYZMAW-GJZGRUSLSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425380 522059479 /nfs/dbraw/zinc/05/94/79/522059479.db2.gz GXITTYJDEJBNGY-GJZGRUSLSA-N 2 0 266.360 2.025 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2C)CC1 ZINC000055065407 522124394 /nfs/dbraw/zinc/12/43/94/522124394.db2.gz BBJVGCHAVCQMHQ-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083433 522124973 /nfs/dbraw/zinc/12/49/73/522124973.db2.gz BXAYSRFOZCFKGA-CRAIPNDOSA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000055063874 522132542 /nfs/dbraw/zinc/13/25/42/522132542.db2.gz YFMAHRMSCHNOMP-GDBMZVCRSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH2+]Cc1cnc(N2CC[NH+](CC(C)C)CC2)c(Cl)c1 ZINC000055082493 522146346 /nfs/dbraw/zinc/14/63/46/522146346.db2.gz RVVSHFCOPADJCR-UHFFFAOYSA-N 2 0 296.846 2.232 10 0 CEAERP C[NH2+]Cc1oc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000052515509 522159296 /nfs/dbraw/zinc/15/92/96/522159296.db2.gz XZFJGHSVCGLBFQ-UHFFFAOYSA-N 3 0 279.428 2.081 10 0 CEAERP C[NH2+]Cc1occc1C[N@H+](C)CCc1ccncc1 ZINC000052483089 522159619 /nfs/dbraw/zinc/15/96/19/522159619.db2.gz DZWNIOCXFJSJCH-UHFFFAOYSA-N 2 0 259.353 2.069 10 0 CEAERP COC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560173 522594027 /nfs/dbraw/zinc/59/40/27/522594027.db2.gz BDHDKCREBPYYNF-AJNGGQMLSA-N 2 0 256.434 2.353 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642091 522649588 /nfs/dbraw/zinc/64/95/88/522649588.db2.gz ZHPAVZXXSVRNFE-NFAWXSAZSA-N 2 0 265.401 2.084 10 0 CEAERP CN(CC[NH+]1CCCC1)Cc1oc2ccccc2c1C[NH3+] ZINC000063054117 522828771 /nfs/dbraw/zinc/82/87/71/522828771.db2.gz JDFKRUUWULXFIB-UHFFFAOYSA-N 2 0 287.407 2.419 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000063051473 522832465 /nfs/dbraw/zinc/83/24/65/522832465.db2.gz ZXCLERQHFKSTFS-ROUUACIJSA-N 2 0 287.451 2.419 10 0 CEAERP CN(CC[NH2+]CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000053344226 522862942 /nfs/dbraw/zinc/86/29/42/522862942.db2.gz BFMDOONILIRLEP-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H]1CCCC[N@@H+]1CC1(C[NH2+]C)CCOCC1 ZINC000052181312 523020921 /nfs/dbraw/zinc/02/09/21/523020921.db2.gz RXJLNZOXCMOZHB-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653498 523639038 /nfs/dbraw/zinc/63/90/38/523639038.db2.gz DEBDAGJINMGBNL-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)C[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454187 523870228 /nfs/dbraw/zinc/87/02/28/523870228.db2.gz ZNCMSTKYJJGJIM-ZDUSSCGKSA-N 2 0 281.448 2.144 10 0 CEAERP C[NH+](C)C1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788826 524040904 /nfs/dbraw/zinc/04/09/04/524040904.db2.gz KULAQZVKXZVFDV-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)CC1CCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055134949 524048575 /nfs/dbraw/zinc/04/85/75/524048575.db2.gz NVMITTRUIXUOQB-UHFFFAOYSA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515399 524143243 /nfs/dbraw/zinc/14/32/43/524143243.db2.gz GLHURTHIQNPMQD-CQSZACIVSA-N 3 0 267.461 2.181 10 0 CEAERP C[C@H]1CCC[C@@](CNc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000050606219 524172325 /nfs/dbraw/zinc/17/23/25/524172325.db2.gz JKGLHYHQVWDMNO-GXTWGEPZSA-N 2 0 250.390 2.343 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206006 524333122 /nfs/dbraw/zinc/33/31/22/524333122.db2.gz QBWFBTIETZPQRR-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000068615234 524398581 /nfs/dbraw/zinc/39/85/81/524398581.db2.gz JWLJHIBZSLTBIE-HRCADAONSA-N 2 0 281.488 2.427 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H](C)CCC[NH3+])CC2)c1 ZINC000052418946 524561170 /nfs/dbraw/zinc/56/11/70/524561170.db2.gz QPWSEVLMBIJSMZ-OAHLLOKOSA-N 2 0 261.413 2.244 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN(C)C1CC[NH+](C)CC1 ZINC000052419802 524733520 /nfs/dbraw/zinc/73/35/20/524733520.db2.gz BACQQDZKWOJJQH-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1cc(COCCC[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000052672763 524805024 /nfs/dbraw/zinc/80/50/24/524805024.db2.gz RLWRPYMKVFOTQL-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP C[C@@H]1c2ccsc2CC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052182357 525736447 /nfs/dbraw/zinc/73/64/47/525736447.db2.gz ZOWOXOQLRBTCTF-GFCCVEGCSA-N 2 0 280.437 2.423 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)s1 ZINC000055077176 525755849 /nfs/dbraw/zinc/75/58/49/525755849.db2.gz XZYHLSGOYMSRKV-CQSZACIVSA-N 2 0 281.469 2.330 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642001 525785955 /nfs/dbraw/zinc/78/59/55/525785955.db2.gz OLAODHXWFNBHQI-GZBFAFLISA-N 2 0 281.469 2.471 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643502 525960450 /nfs/dbraw/zinc/96/04/50/525960450.db2.gz PASNUHYIPKSXGP-DJIMGWMZSA-N 2 0 275.440 2.409 10 0 CEAERP c1cc(N2CCC([NH2+]CCN3CCCCC3)CC2)cc[nH+]1 ZINC000049574758 526431556 /nfs/dbraw/zinc/43/15/56/526431556.db2.gz PQPSMLRGODPXAP-UHFFFAOYSA-N 2 0 288.439 2.126 10 0 CEAERP NC(=[NH2+])C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055023434 526817961 /nfs/dbraw/zinc/81/79/61/526817961.db2.gz FMAZOJZVQXMZJE-HUUCEWRRSA-N 2 0 275.396 2.291 10 0 CEAERP NC(=[NH2+])c1ccc(Cl)cc1OCC[NH+]1CCCCC1 ZINC000062789176 526822764 /nfs/dbraw/zinc/82/27/64/526822764.db2.gz WWQFZAQVWHHGPK-UHFFFAOYSA-N 2 0 281.787 2.489 10 0 CEAERP [NH3+]CC[C@H](c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978087 527193326 /nfs/dbraw/zinc/19/33/26/527193326.db2.gz FPDNYLYDTCMTGH-DLBZAZTESA-N 2 0 273.424 2.247 10 0 CEAERP [NH3+]Cc1ccc(Cl)cc1N1CC[NH+](CC2CC2)CC1 ZINC000062786916 527252906 /nfs/dbraw/zinc/25/29/06/527252906.db2.gz MSSVFBGEJPWOJA-UHFFFAOYSA-N 2 0 279.815 2.331 10 0 CEAERP FC(F)(F)COCCC[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000053660228 527668739 /nfs/dbraw/zinc/66/87/39/527668739.db2.gz HNUCHORVDXCRMG-UHFFFAOYSA-N 2 0 294.361 2.419 10 0 CEAERP COCC(C)(C)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261928314 623662167 /nfs/dbraw/zinc/66/21/67/623662167.db2.gz LEHJSYWRGMSBGI-CVEARBPZSA-N 2 0 276.424 2.333 10 0 CEAERP C(C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919593 624695351 /nfs/dbraw/zinc/69/53/51/624695351.db2.gz XPPTWZJWKDCAFZ-SOUVJXGZSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009629 628248086 /nfs/dbraw/zinc/24/80/86/628248086.db2.gz YIJSCALGRVOVFU-HZSPNIEDSA-N 2 0 299.459 2.314 10 0 CEAERP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000261944106 629364745 /nfs/dbraw/zinc/36/47/45/629364745.db2.gz FAWSOFOOWUQWET-UYSNPLJNSA-N 2 0 295.471 2.132 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000070576766 641684342 /nfs/dbraw/zinc/68/43/42/641684342.db2.gz GMKTWLYYMUSOCC-JKSUJKDBSA-N 2 0 295.471 2.084 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000123998680 539179803 /nfs/dbraw/zinc/17/98/03/539179803.db2.gz ZSBQVLORFPSJNK-KRWDZBQOSA-N 2 0 287.451 2.248 10 0 CEAERP [NH3+]CCN1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000038956319 343434854 /nfs/dbraw/zinc/43/48/54/343434854.db2.gz WEXZUXZCSUGEFO-KRWDZBQOSA-N 2 0 273.424 2.030 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262336054 344654407 /nfs/dbraw/zinc/65/44/07/344654407.db2.gz ZEBGIMGNJSLKAE-PMPSAXMXSA-N 2 0 295.471 2.275 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CCC(C)([NH3+])CC2)cc1F ZINC000584645812 344972642 /nfs/dbraw/zinc/97/26/42/344972642.db2.gz HMTVSXICYATCTC-NSHDSACASA-N 2 0 265.376 2.159 10 0 CEAERP CSC1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000084986002 178938884 /nfs/dbraw/zinc/93/88/84/178938884.db2.gz YVXWGOURRGLJBI-UHFFFAOYSA-N 2 0 250.411 2.343 10 0 CEAERP C[C@@](O)(C[NH3+])CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300963 179010508 /nfs/dbraw/zinc/01/05/08/179010508.db2.gz ZQRVLWPKSDNEFT-CABCVRRESA-N 2 0 254.418 2.131 10 0 CEAERP CC1CCC([N@H+](C)CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301499 179010607 /nfs/dbraw/zinc/01/06/07/179010607.db2.gz AOEUQNIPXAKBAT-YMAMQOFZSA-N 2 0 256.434 2.377 10 0 CEAERP C[C@@H](C[C@@](C)(O)C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000085302796 179011583 /nfs/dbraw/zinc/01/15/83/179011583.db2.gz RUPLSVONVMIIFN-UONOGXRCSA-N 2 0 254.418 2.131 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369449 179039032 /nfs/dbraw/zinc/03/90/32/179039032.db2.gz AZQYAJYRMVOQKT-HOTGVXAUSA-N 2 0 295.471 2.083 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000085370614 179040884 /nfs/dbraw/zinc/04/08/84/179040884.db2.gz BRDWGMQEUYGRSE-AIANPOQGSA-N 2 0 295.471 2.131 10 0 CEAERP COCCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403710 179053190 /nfs/dbraw/zinc/05/31/90/179053190.db2.gz WCQJHBSOHRPHGF-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[N@@H+]1CCC[C@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572761 179097735 /nfs/dbraw/zinc/09/77/35/179097735.db2.gz WSSABIXEPCJWHK-ZDUSSCGKSA-N 2 0 290.455 2.168 10 0 CEAERP CC[NH+](CC)CCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085569382 179095879 /nfs/dbraw/zinc/09/58/79/179095879.db2.gz AMIKRUGHDKFAHU-UHFFFAOYSA-N 2 0 278.444 2.069 10 0 CEAERP CCCc1nc2c(n1CCC[NH+](CC)CC)CC[NH2+]C2 ZINC000085569210 179096090 /nfs/dbraw/zinc/09/60/90/179096090.db2.gz VFWUGKAOXQADFM-UHFFFAOYSA-N 2 0 278.444 2.213 10 0 CEAERP CC[NH+](CC)CCCn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085569212 179096306 /nfs/dbraw/zinc/09/63/06/179096306.db2.gz FNUWAPYPBJOEHZ-UHFFFAOYSA-N 2 0 278.444 2.384 10 0 CEAERP CCC1(CC)C[N@H+](CCn2cccn2)[C@@H](C)CC[NH2+]1 ZINC000085627958 179106981 /nfs/dbraw/zinc/10/69/81/179106981.db2.gz NFDILIRLWGLVHR-AWEZNQCLSA-N 2 0 264.417 2.126 10 0 CEAERP C[NH+]1CCC(Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)CC1 ZINC000085573528 179099755 /nfs/dbraw/zinc/09/97/55/179099755.db2.gz PTJDCGYRVJLDBU-UHFFFAOYSA-N 2 0 290.455 2.168 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613133 179102454 /nfs/dbraw/zinc/10/24/54/179102454.db2.gz OTZUDEVHLRTAPW-LSDHHAIUSA-N 2 0 252.402 2.020 10 0 CEAERP CC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085614651 179103774 /nfs/dbraw/zinc/10/37/74/179103774.db2.gz ILWRICKBJDFVLJ-LLVKDONJSA-N 2 0 268.323 2.029 10 0 CEAERP CCC1(CC)C[N@H+](CCCn2ccnc2)CCC[NH2+]1 ZINC000085617342 179103966 /nfs/dbraw/zinc/10/39/66/179103966.db2.gz OFXSQKOMPPGATL-UHFFFAOYSA-N 2 0 264.417 2.127 10 0 CEAERP CC[NH+](CC)CCC[NH2+][C@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000085629486 179107596 /nfs/dbraw/zinc/10/75/96/179107596.db2.gz KKJRLLUSZRQLTQ-RDBSUJKOSA-N 2 0 254.418 2.121 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172108 179244106 /nfs/dbraw/zinc/24/41/06/179244106.db2.gz MXMXENWEPUIIRR-JONQDZQNSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173704 179245033 /nfs/dbraw/zinc/24/50/33/179245033.db2.gz QQPPEAIKAZMYBL-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086174186 179245493 /nfs/dbraw/zinc/24/54/93/179245493.db2.gz YNQVXCNIHOCXBT-XHSDSOJGSA-N 2 0 267.461 2.035 10 0 CEAERP CC(C)C[C@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086217768 179249561 /nfs/dbraw/zinc/24/95/61/179249561.db2.gz CRWHOEWIYJIPNQ-HOTGVXAUSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223091 179250323 /nfs/dbraw/zinc/25/03/23/179250323.db2.gz LNBDZICTBDEZMC-OIISXLGYSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086225422 179253514 /nfs/dbraw/zinc/25/35/14/179253514.db2.gz FDGQBIACSLYIGE-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224016 179253753 /nfs/dbraw/zinc/25/37/53/179253753.db2.gz STHHSFNGKDIMEZ-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCC(N2CC(C)(C)[NH2+]C[C@@H]2CC)CC1 ZINC000086227326 179254272 /nfs/dbraw/zinc/25/42/72/179254272.db2.gz JRYLPLAKOCKINF-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259585 179258365 /nfs/dbraw/zinc/25/83/65/179258365.db2.gz ZZWYFTQCNFYYNX-ZTFGCOKTSA-N 2 0 285.435 2.258 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259666 179259330 /nfs/dbraw/zinc/25/93/30/179259330.db2.gz ZSWSZPBMDXOXSA-YQQAZPJKSA-N 2 0 279.472 2.322 10 0 CEAERP C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261034 179259756 /nfs/dbraw/zinc/25/97/56/179259756.db2.gz HVXLCQWBUPARNM-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)[N@H+](C)CCCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086261202 179260144 /nfs/dbraw/zinc/26/01/44/179260144.db2.gz IWXMZPUIWJBWCI-HOCLYGCPSA-N 2 0 267.461 2.179 10 0 CEAERP C[N@@H+]1CC[C@H](CN2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288717 179264996 /nfs/dbraw/zinc/26/49/96/179264996.db2.gz DCRODKPRYUBNEW-RDJZCZTQSA-N 2 0 279.472 2.182 10 0 CEAERP CCC[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086255951 179256578 /nfs/dbraw/zinc/25/65/78/179256578.db2.gz RLRQRMIFBSWRHJ-XHSDSOJGSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258983 179257188 /nfs/dbraw/zinc/25/71/88/179257188.db2.gz OCCCFKPOWXVNRM-DLBZAZTESA-N 2 0 279.472 2.181 10 0 CEAERP c1ccc(C[C@H]2C[N@H+](CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291368 179265534 /nfs/dbraw/zinc/26/55/34/179265534.db2.gz WCGFXHDHRACFJP-ROUUACIJSA-N 2 0 288.435 2.462 10 0 CEAERP C[NH+](C)CCCCN1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086293256 179266434 /nfs/dbraw/zinc/26/64/34/179266434.db2.gz LTEJUAMXSZPOCN-SFHVURJKSA-N 2 0 289.467 2.235 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291646 179266833 /nfs/dbraw/zinc/26/68/33/179266833.db2.gz RBZCDXYNYRMDLJ-INIZCTEOSA-N 2 0 279.472 2.469 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293508 179267830 /nfs/dbraw/zinc/26/78/30/179267830.db2.gz NLBYXSPJTXIWOZ-TUVASFSCSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@@H](C)CS2)C1 ZINC000086633216 179315079 /nfs/dbraw/zinc/31/50/79/179315079.db2.gz JMIJXMCWHDVWOE-NEPJUHHUSA-N 2 0 255.431 2.045 10 0 CEAERP Cc1csc(CC[NH2+][C@@H]2CCC[N@@H+](C)CC2)n1 ZINC000086819109 179347999 /nfs/dbraw/zinc/34/79/99/179347999.db2.gz ATZZUNZEMJYPJU-GFCCVEGCSA-N 2 0 253.415 2.068 10 0 CEAERP Cc1cccc(N(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)c1 ZINC000086819525 179348894 /nfs/dbraw/zinc/34/88/94/179348894.db2.gz CQKUQPPCLMUFQB-INIZCTEOSA-N 2 0 261.413 2.244 10 0 CEAERP CC(C)[C@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817428 179344734 /nfs/dbraw/zinc/34/47/34/179344734.db2.gz ZFFULUFZEJUXAG-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847901 179356476 /nfs/dbraw/zinc/35/64/76/179356476.db2.gz LEJSSNBUHRYVSG-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C)CC1 ZINC000086847376 179356935 /nfs/dbraw/zinc/35/69/35/179356935.db2.gz HQOGJTHPXVTGKG-GJZGRUSLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2scnc2C)CC1 ZINC000086848809 179357242 /nfs/dbraw/zinc/35/72/42/179357242.db2.gz IHZONIPQRZZCCB-HNNXBMFYSA-N 2 0 296.484 2.087 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842804 179354074 /nfs/dbraw/zinc/35/40/74/179354074.db2.gz NDOMMMGITFXIQI-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC)C(C)C)CC1 ZINC000086846716 179355077 /nfs/dbraw/zinc/35/50/77/179355077.db2.gz ZDAJXCDHIQRGCY-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846787 179355288 /nfs/dbraw/zinc/35/52/88/179355288.db2.gz CDEUVEFOCKBGEY-INIZCTEOSA-N 2 0 267.461 2.453 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851004 179359771 /nfs/dbraw/zinc/35/97/71/179359771.db2.gz FAQZWSZGWZLQAY-SJORKVTESA-N 3 0 279.472 2.325 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC000086876854 179365343 /nfs/dbraw/zinc/36/53/43/179365343.db2.gz RYOGFEDRUGMTFH-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000086891022 179366330 /nfs/dbraw/zinc/36/63/30/179366330.db2.gz CIWGJSGYWVMRLM-WBVHZDCISA-N 2 0 279.472 2.312 10 0 CEAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890461 179366471 /nfs/dbraw/zinc/36/64/71/179366471.db2.gz MPGGXKYQANDNQC-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000086891436 179366568 /nfs/dbraw/zinc/36/65/68/179366568.db2.gz LBSVYUQUJUJJHS-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[NH+]1CCN([C@]2(C[NH3+])CCCC(C)(C)CC2)CC1 ZINC000086910442 179367410 /nfs/dbraw/zinc/36/74/10/179367410.db2.gz CASSCILLDIYDGA-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947882 179368933 /nfs/dbraw/zinc/36/89/33/179368933.db2.gz DZTFRXVFJYZKHJ-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H]1CCC[C@@](O)(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087064916 179390395 /nfs/dbraw/zinc/39/03/95/179390395.db2.gz MSXWBOSDLYYTNO-PMPSAXMXSA-N 2 0 268.445 2.392 10 0 CEAERP Nc1cc[nH+]cc1C[C@@H]([NH3+])CSc1ccccc1 ZINC000087162164 179398466 /nfs/dbraw/zinc/39/84/66/179398466.db2.gz RLIVXZZUDXCIJF-GFCCVEGCSA-N 2 0 259.378 2.326 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128857921 187395335 /nfs/dbraw/zinc/39/53/35/187395335.db2.gz QTAKZBYVKPPTPU-GJZGRUSLSA-N 3 0 255.450 2.229 10 0 CEAERP CCC(CC)[C@H](CN[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922507 187399137 /nfs/dbraw/zinc/39/91/37/187399137.db2.gz STOMTOODRCHJHU-CABCVRRESA-N 2 0 255.450 2.085 10 0 CEAERP C[N@H+](Cc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111713 179706186 /nfs/dbraw/zinc/70/61/86/179706186.db2.gz FLLGSZSJPVTYIN-VXGBXAGGSA-N 2 0 253.777 2.294 10 0 CEAERP COc1ccc(F)cc1C[N@H+](C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112397 179706591 /nfs/dbraw/zinc/70/65/91/179706591.db2.gz FTMIIWISFWBDJW-RISCZKNCSA-N 2 0 266.360 2.394 10 0 CEAERP [NH3+]C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cscn1 ZINC000089402893 179781979 /nfs/dbraw/zinc/78/19/79/179781979.db2.gz DTBVSCAMESHZGV-NWDGAFQWSA-N 2 0 253.415 2.040 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566295 180005765 /nfs/dbraw/zinc/00/57/65/180005765.db2.gz VLNSRHMWYOIWKJ-SJORKVTESA-N 2 0 276.424 2.441 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567044 180006322 /nfs/dbraw/zinc/00/63/22/180006322.db2.gz AINFCZSAOGMXAJ-ZIAGYGMSSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000090566646 180006932 /nfs/dbraw/zinc/00/69/32/180006932.db2.gz CZCJSIVVYASCRY-YLFCFFPRSA-N 2 0 274.408 2.147 10 0 CEAERP C[C@]1(C[N@H+](Cc2cccs2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606829 180011452 /nfs/dbraw/zinc/01/14/52/180011452.db2.gz FHSOEOFTWPQNMH-KBPBESRZSA-N 2 0 266.410 2.076 10 0 CEAERP C[C@]1(C[NH+]2CCC3(CCCCC3)CC2)COC[C@H]1[NH3+] ZINC000090620937 180013682 /nfs/dbraw/zinc/01/36/82/180013682.db2.gz RXWODWOQUZEYRB-CABCVRRESA-N 2 0 266.429 2.397 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[NH+]1CCC(C[NH2+]C3CC3)CC1)O2 ZINC000090875393 180050717 /nfs/dbraw/zinc/05/07/17/180050717.db2.gz LMVGTRZZSHJTPW-KRWDZBQOSA-N 2 0 286.419 2.454 10 0 CEAERP C[NH+](C)CCCC[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892621 180055469 /nfs/dbraw/zinc/05/54/69/180055469.db2.gz LTFIUDWSJKOJRH-AWEZNQCLSA-N 2 0 266.360 2.061 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897475 180056913 /nfs/dbraw/zinc/05/69/13/180056913.db2.gz RKUPLMGRVSBCJK-YOEHRIQHSA-N 2 0 286.419 2.372 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)CC[NH+](C)C)O2 ZINC000090897738 180056936 /nfs/dbraw/zinc/05/69/36/180056936.db2.gz QUYJJSKYNVXJHV-DZGCQCFKSA-N 2 0 262.397 2.228 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090896974 180057373 /nfs/dbraw/zinc/05/73/73/180057373.db2.gz MUJGJPLRACBZIS-HNNXBMFYSA-N 2 0 262.397 2.359 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090898952 180057829 /nfs/dbraw/zinc/05/78/29/180057829.db2.gz FVGKELIFMJQHQK-INIZCTEOSA-N 2 0 274.408 2.230 10 0 CEAERP [NH3+]Cc1nc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090932272 180065610 /nfs/dbraw/zinc/06/56/10/180065610.db2.gz QBNIBDBZUONASP-OLZOCXBDSA-N 2 0 259.378 2.248 10 0 CEAERP CC[C@@H](CC[NH3+])N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090975966 180079180 /nfs/dbraw/zinc/07/91/80/180079180.db2.gz UGLSHYSQJFXMSM-SJORKVTESA-N 2 0 287.451 2.071 10 0 CEAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019729 180088200 /nfs/dbraw/zinc/08/82/00/180088200.db2.gz DUTBIGTUQHOLAZ-NWDGAFQWSA-N 2 0 258.369 2.122 10 0 CEAERP CC(C)CC[NH2+]C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091429132 180152883 /nfs/dbraw/zinc/15/28/83/180152883.db2.gz WJVWSYRVVNUJSK-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091432358 180153859 /nfs/dbraw/zinc/15/38/59/180153859.db2.gz WDWKWLCMCUKAPC-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)CC[C@H](C)[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091450368 180158338 /nfs/dbraw/zinc/15/83/38/180158338.db2.gz IXRUGFFEOMEZPD-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490558 180169585 /nfs/dbraw/zinc/16/95/85/180169585.db2.gz UXSNZQSQGADDKF-KNIAUWFNSA-N 2 0 268.445 2.248 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091499468 180173646 /nfs/dbraw/zinc/17/36/46/180173646.db2.gz ZTDXMDKFESRLRU-XUJLQICISA-N 2 0 270.461 2.494 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393869 180145742 /nfs/dbraw/zinc/14/57/42/180145742.db2.gz XJGRFNPTUKOVFR-RDJZCZTQSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393712 180145772 /nfs/dbraw/zinc/14/57/72/180145772.db2.gz IEFBYBIYTPJYLN-CABCVRRESA-N 2 0 297.487 2.330 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000091404963 180146922 /nfs/dbraw/zinc/14/69/22/180146922.db2.gz WCOUEYKLTQJNFF-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000091404689 180146950 /nfs/dbraw/zinc/14/69/50/180146950.db2.gz JZKWKQJNDLRQOO-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000091405067 180147523 /nfs/dbraw/zinc/14/75/23/180147523.db2.gz FRFMGCUARKASDX-HUUCEWRRSA-N 2 0 269.477 2.284 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091427797 180152041 /nfs/dbraw/zinc/15/20/41/180152041.db2.gz PKHPWYHXLSLBPV-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H]([C@@H]1CCOC1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607158 180204210 /nfs/dbraw/zinc/20/42/10/180204210.db2.gz NZFNJFRDGRCVOE-RBSFLKMASA-N 2 0 254.418 2.266 10 0 CEAERP CCC(CC)([C@@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634497 180210723 /nfs/dbraw/zinc/21/07/23/180210723.db2.gz VVYASSIDIRDWPK-HNNXBMFYSA-N 2 0 277.412 2.222 10 0 CEAERP C[NH2+][C@@H](Cc1cccnc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640921 180213302 /nfs/dbraw/zinc/21/33/02/180213302.db2.gz JRRYWRBLJZCQJS-HNNXBMFYSA-N 2 0 288.439 2.203 10 0 CEAERP CC[NH2+][C@@H]([C@H]1CCOC1)C1([NH+](C)C)CCCCC1 ZINC000091647744 180215501 /nfs/dbraw/zinc/21/55/01/180215501.db2.gz AIYGNMXANOWPRF-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H]1CCC[C@@](C(=O)Cc2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650330 180216411 /nfs/dbraw/zinc/21/64/11/180216411.db2.gz VZYFCEVRQGTGGM-MLGOLLRUSA-N 2 0 275.396 2.286 10 0 CEAERP CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850871 180272316 /nfs/dbraw/zinc/27/23/16/180272316.db2.gz RCKQFGVZGFNJCQ-UHFFFAOYSA-N 2 0 294.395 2.466 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2scnc2C)CC1 ZINC000091871096 180276825 /nfs/dbraw/zinc/27/68/25/180276825.db2.gz CGBAXDOVQMTOCC-UHFFFAOYSA-N 2 0 253.415 2.414 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC2(O)CCCC2)CC1 ZINC000091870273 180277427 /nfs/dbraw/zinc/27/74/27/180277427.db2.gz YWJCWVNIXAYJON-UHFFFAOYSA-N 2 0 254.418 2.144 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000091870561 180277449 /nfs/dbraw/zinc/27/74/49/180277449.db2.gz WWJZOSZYMJVDEL-UHFFFAOYSA-N 2 0 275.396 2.088 10 0 CEAERP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1[C@@H](C)[NH3+] ZINC000092004654 180305690 /nfs/dbraw/zinc/30/56/90/180305690.db2.gz PCAVLXPRCMDGLB-JLLWLGSASA-N 2 0 280.441 2.144 10 0 CEAERP C[C@@H]1C[NH+](CCCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082229 180319962 /nfs/dbraw/zinc/31/99/62/180319962.db2.gz DBEOERFLYPRFHY-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)C[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090263 180322169 /nfs/dbraw/zinc/32/21/69/180322169.db2.gz IJUDIZMVXOELDK-XGUBFFRZSA-N 2 0 256.434 2.102 10 0 CEAERP C[N@H+](C[C@@H]1COc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092304567 180360153 /nfs/dbraw/zinc/36/01/53/180360153.db2.gz GAGXEYVBTVHOKT-UMVBOHGHSA-N 2 0 260.381 2.222 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000092274720 180356499 /nfs/dbraw/zinc/35/64/99/180356499.db2.gz KPYZOHCPEMUZSZ-GFCCVEGCSA-N 2 0 250.411 2.417 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1COc2ccccc21 ZINC000092299094 180358370 /nfs/dbraw/zinc/35/83/70/180358370.db2.gz OWRDQAOZWIVEDO-ZDUSSCGKSA-N 2 0 262.397 2.340 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496299 186256856 /nfs/dbraw/zinc/25/68/56/186256856.db2.gz POJCYJWCCLPNCI-OLZOCXBDSA-N 2 0 282.432 2.446 10 0 CEAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000109571696 186263549 /nfs/dbraw/zinc/26/35/49/186263549.db2.gz MBKQBVZKXYRCIB-YPMHNXCESA-N 2 0 265.376 2.376 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684684 186268905 /nfs/dbraw/zinc/26/89/05/186268905.db2.gz ISUZKRBSERKQTD-QLFBSQMISA-N 2 0 282.428 2.169 10 0 CEAERP Cc1cc(C)c(C[NH+]2CCN([C@@H](C)C[NH3+])CC2)c(C)c1 ZINC000109458399 186253647 /nfs/dbraw/zinc/25/36/47/186253647.db2.gz PEBHVWKSBWHRAC-INIZCTEOSA-N 2 0 275.440 2.077 10 0 CEAERP CCc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1C[NH2+]C ZINC000110275664 186289446 /nfs/dbraw/zinc/28/94/46/186289446.db2.gz ORJFTTIKLGLQSN-GFCCVEGCSA-N 2 0 294.468 2.099 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CCC[NH+]1CCCC1 ZINC000110630183 186307284 /nfs/dbraw/zinc/30/72/84/186307284.db2.gz VATUQWKNFKIUBQ-UHFFFAOYSA-N 2 0 292.358 2.252 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H](C)CC2)CCOCC1 ZINC000110810563 186326571 /nfs/dbraw/zinc/32/65/71/186326571.db2.gz SHDYFGLMUDEZRC-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110841254 186328845 /nfs/dbraw/zinc/32/88/45/186328845.db2.gz ALUQOABDIMBHHD-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](C(C)C)CC2)cc1F ZINC000110977150 186339499 /nfs/dbraw/zinc/33/94/99/186339499.db2.gz OPOHRESGRJMUSS-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@@H]1CN([C@@H](c2cccc(C)c2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703862 186313922 /nfs/dbraw/zinc/31/39/22/186313922.db2.gz OXGQRBXXRHIUTA-DJIMGWMZSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705312 186314326 /nfs/dbraw/zinc/31/43/26/186314326.db2.gz MMCBYUBNAVGVIC-HNNXBMFYSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705137 186314830 /nfs/dbraw/zinc/31/48/30/186314830.db2.gz DIYIAOHSPUBUSE-WCQYABFASA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@H]1CN(Cc2cc([C@@H](C)[NH3+])ccc2OC)CC[N@@H+]1C ZINC000110715896 186315942 /nfs/dbraw/zinc/31/59/42/186315942.db2.gz POBOHOGLWODHEK-CJNGLKHVSA-N 2 0 291.439 2.241 10 0 CEAERP CCc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716293 186316047 /nfs/dbraw/zinc/31/60/47/186316047.db2.gz GGCWHQGWYLQAQR-INIZCTEOSA-N 2 0 275.440 2.275 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757915 186320034 /nfs/dbraw/zinc/32/00/34/186320034.db2.gz MHKMCSAHSQSDBY-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP CC[N@@H+]1CCN(Cc2c3ccccc3oc2C[NH3+])C[C@@H]1C ZINC000110752384 186320104 /nfs/dbraw/zinc/32/01/04/186320104.db2.gz XBAREPYUCSJWBQ-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CC[C@@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CC[N@@H+]1C ZINC000110757092 186320298 /nfs/dbraw/zinc/32/02/98/186320298.db2.gz AYEXOCPFNBOFFY-UONOGXRCSA-N 2 0 281.469 2.425 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757973 186320493 /nfs/dbraw/zinc/32/04/93/186320493.db2.gz VEYBTLFNJSWPOB-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110751194 186320655 /nfs/dbraw/zinc/32/06/55/186320655.db2.gz FKUCSSJZMQLTFZ-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@@H+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC1(C)C ZINC000110754920 186320722 /nfs/dbraw/zinc/32/07/22/186320722.db2.gz KMFASNCVLVPWKP-UHFFFAOYSA-N 2 0 294.443 2.089 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747354 186321354 /nfs/dbraw/zinc/32/13/54/186321354.db2.gz MOUORCJZTHJROG-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H]1C[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)CCN1C ZINC000110753768 186321730 /nfs/dbraw/zinc/32/17/30/186321730.db2.gz ZVHLXTVIMFCOIR-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCOC(CC[NH+]1CCC(C[NH+](C)C)CC1)OCC ZINC000110785262 186324812 /nfs/dbraw/zinc/32/48/12/186324812.db2.gz JETCUOBMDILRIH-UHFFFAOYSA-N 2 0 272.433 2.049 10 0 CEAERP CC(C)C[NH2+]Cc1nc(CN(C)CCC[NH+](C)C)cs1 ZINC000111150537 186360494 /nfs/dbraw/zinc/36/04/94/186360494.db2.gz AAGIRAFVQQYNKJ-UHFFFAOYSA-N 2 0 298.500 2.272 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)CCC[NH+](C)C ZINC000111150209 186361242 /nfs/dbraw/zinc/36/12/42/186361242.db2.gz ILTJHXDYUZOGRW-HNNXBMFYSA-N 3 0 257.466 2.284 10 0 CEAERP C[C@H](C[C@H](C[NH3+])N(C)CC[NH+](C)C)c1ccccc1 ZINC000111132947 186356270 /nfs/dbraw/zinc/35/62/70/186356270.db2.gz VLGJJNFLIHZGHL-GDBMZVCRSA-N 2 0 263.429 2.001 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000111131396 186356282 /nfs/dbraw/zinc/35/62/82/186356282.db2.gz UATZDOWZBPVHPO-HZPDHXFCSA-N 2 0 281.419 2.488 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000111132474 186356764 /nfs/dbraw/zinc/35/67/64/186356764.db2.gz MQSMHLVYMHNLNI-CYBMUJFWSA-N 2 0 290.238 2.487 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccc(C)cc1C ZINC000111135689 186357162 /nfs/dbraw/zinc/35/71/62/186357162.db2.gz QPZJIFSORAIGLN-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccc(C)cc1 ZINC000111136464 186357237 /nfs/dbraw/zinc/35/72/37/186357237.db2.gz MQWBVWMUWUYVFS-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)CC[NH+](C)C ZINC000111134622 186357434 /nfs/dbraw/zinc/35/74/34/186357434.db2.gz JBARFBNHAHLFNR-KKUMJFAQSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)CCC[NH+](C)C ZINC000111135726 186357485 /nfs/dbraw/zinc/35/74/85/186357485.db2.gz YISHDKGZHXNZMD-ILXRZTDVSA-N 2 0 255.450 2.037 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000111136007 186357594 /nfs/dbraw/zinc/35/75/94/186357594.db2.gz GVDDXKUYXLBXCZ-SJORKVTESA-N 2 0 275.440 2.275 10 0 CEAERP CC[NH2+][C@@H](CCN(C)CCC[NH+](C)C)C(C)(C)C ZINC000111148104 186358296 /nfs/dbraw/zinc/35/82/96/186358296.db2.gz VWILVIBYWCBAJH-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP CC(C)C[NH2+]Cc1nc(N(C)CC[NH+](C)C)ccc1Cl ZINC000111148832 186358375 /nfs/dbraw/zinc/35/83/75/186358375.db2.gz XVLUTBRUXPBOCF-UHFFFAOYSA-N 2 0 298.862 2.478 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111147989 186358476 /nfs/dbraw/zinc/35/84/76/186358476.db2.gz OKTJMRASZABNCO-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)CN(C)CC[NH+](C)C ZINC000111147469 186359132 /nfs/dbraw/zinc/35/91/32/186359132.db2.gz UZJQCVSFOGKJAE-NVXWUHKLSA-N 2 0 277.456 2.467 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111147747 186359186 /nfs/dbraw/zinc/35/91/86/186359186.db2.gz BUHBGRQQPLTAOM-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N(C)CCC[NH+](C)C)sc21 ZINC000111151391 186359957 /nfs/dbraw/zinc/35/99/57/186359957.db2.gz XLGRWILUXPTPRB-NSHDSACASA-N 2 0 282.457 2.128 10 0 CEAERP Cc1oc(CN(C)CC[NH+](C)C)cc1C[NH2+]C(C)(C)C ZINC000111149632 186360077 /nfs/dbraw/zinc/36/00/77/186360077.db2.gz VXWNCYIEZFFCAY-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000111174875 186364587 /nfs/dbraw/zinc/36/45/87/186364587.db2.gz QLEVJTIAPBYWFE-CQSZACIVSA-N 2 0 262.397 2.264 10 0 CEAERP CCC[NH2+]CC(C)(C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171904 186364926 /nfs/dbraw/zinc/36/49/26/186364926.db2.gz ZBXWUUAOXJRVST-AWEZNQCLSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[C@]1(C[N@H+](C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179200 186366426 /nfs/dbraw/zinc/36/64/26/186366426.db2.gz BNTLNGDSFCQZEX-GJZGRUSLSA-N 2 0 254.418 2.125 10 0 CEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000111265186 186381581 /nfs/dbraw/zinc/38/15/81/186381581.db2.gz NHKQNFRFZCHRCI-CZUORRHYSA-N 2 0 287.407 2.076 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000111710006 186449465 /nfs/dbraw/zinc/44/94/65/186449465.db2.gz TUMYDGRLOQMNDW-GJZGRUSLSA-N 2 0 297.487 2.343 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000114176046 186609494 /nfs/dbraw/zinc/60/94/94/186609494.db2.gz JZBVMNGJIQEELE-JKSUJKDBSA-N 2 0 297.487 2.343 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132287789 366132325 /nfs/dbraw/zinc/13/23/25/366132325.db2.gz HNJDVLZGXCOXFT-ZDUSSCGKSA-N 2 0 250.361 2.266 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000575439252 366287197 /nfs/dbraw/zinc/28/71/97/366287197.db2.gz RIGVUBKAASOCSA-SECBINFHSA-N 2 0 279.128 2.466 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Br)cc1F ZINC000575440088 366287629 /nfs/dbraw/zinc/28/76/29/366287629.db2.gz IPWFYMWVEIBNKF-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578518510 366506084 /nfs/dbraw/zinc/50/60/84/366506084.db2.gz MRTBWFMFGPDRAO-MJBXVCDLSA-N 2 0 281.469 2.329 10 0 CEAERP COc1ccc(C[C@@H]([NH3+])c2cccn2CC[NH+](C)C)cc1 ZINC000011848795 361366404 /nfs/dbraw/zinc/36/64/04/361366404.db2.gz XECVJFSYTZBFIL-MRXNPFEDSA-N 2 0 287.407 2.301 10 0 CEAERP CCCCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000117880182 365129379 /nfs/dbraw/zinc/12/93/79/365129379.db2.gz LAZHBOUASUAFLF-AWEZNQCLSA-N 2 0 256.434 2.201 10 0 CEAERP CCC[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161600270 367099842 /nfs/dbraw/zinc/09/98/42/367099842.db2.gz JHCMKJJQQXVSPY-XHSDSOJGSA-N 2 0 297.487 2.201 10 0 CEAERP C[C@@H]1CCC[C@H](CN2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636689 370853205 /nfs/dbraw/zinc/85/32/05/370853205.db2.gz XDXPYPGKKUCXHD-ILXRZTDVSA-N 2 0 254.418 2.075 10 0 CEAERP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@H]1C[NH3+] ZINC000631839129 367579392 /nfs/dbraw/zinc/57/93/92/367579392.db2.gz AQTPKEWWXNATHD-SMDDNHRTSA-N 2 0 273.355 2.401 10 0 CEAERP C[C@H](c1ccccn1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246341896 370948439 /nfs/dbraw/zinc/94/84/39/370948439.db2.gz LNVQPTFSTBCBFP-LSDHHAIUSA-N 2 0 291.439 2.167 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C=CCCC2)CC1 ZINC000246313408 370945418 /nfs/dbraw/zinc/94/54/18/370945418.db2.gz YWDLMEJQBMBKFW-GDBMZVCRSA-N 2 0 266.429 2.120 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](CC)CC)C12CCOCC2 ZINC000186193732 368934442 /nfs/dbraw/zinc/93/44/42/368934442.db2.gz MGJYMRWKBPCMKH-JKSUJKDBSA-N 2 0 298.471 2.282 10 0 CEAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000192641217 369838252 /nfs/dbraw/zinc/83/82/52/369838252.db2.gz LRFOTNLBVONZFC-KFWWJZLASA-N 2 0 254.418 2.121 10 0 CEAERP C[C@H]1CN(CCOc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000235636873 370570890 /nfs/dbraw/zinc/57/08/90/370570890.db2.gz KWOALOZTKIKJDO-GWCFXTLKSA-N 2 0 299.212 2.107 10 0 CEAERP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000248809046 371248186 /nfs/dbraw/zinc/24/81/86/371248186.db2.gz KJZAXTYXQYOLTI-OWCLPIDISA-N 2 0 298.471 2.015 10 0 CEAERP [NH3+]C[C@@H]1CN(Cc2nc(C3CC3)no2)C[C@H]1c1ccccc1 ZINC000261645271 371689896 /nfs/dbraw/zinc/68/98/96/371689896.db2.gz FVRSWHAHTIEAOM-CABCVRRESA-N 2 0 298.390 2.121 10 0 CEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262536224 371873357 /nfs/dbraw/zinc/87/33/57/371873357.db2.gz BEMJIPQAHJSVCG-OWCLPIDISA-N 2 0 289.423 2.053 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324887 205221008 /nfs/dbraw/zinc/22/10/08/205221008.db2.gz VBNPYKOVQASYLB-XUJVJEKNSA-N 2 0 273.380 2.320 10 0 CEAERP CCn1nc(C)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000312246493 376706842 /nfs/dbraw/zinc/70/68/42/376706842.db2.gz DQJWOJPWSHCJEQ-PVXIVEMSSA-N 2 0 278.444 2.498 10 0 CEAERP C=COCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000093488561 184683114 /nfs/dbraw/zinc/68/31/14/184683114.db2.gz XEEBBONMAPROQR-SOUVJXGZSA-N 2 0 252.402 2.437 10 0 CEAERP C[C@H](C[C@@H]1CCCC[NH2+]1)[NH2+]CCc1cscn1 ZINC000093487043 184683218 /nfs/dbraw/zinc/68/32/18/184683218.db2.gz DVXPPYDAWZHVHM-NEPJUHHUSA-N 2 0 253.415 2.196 10 0 CEAERP CCC1(C)CC[NH+](CC[C@H]2CCC[C@@]2(O)C[NH3+])CC1 ZINC000093626826 184698342 /nfs/dbraw/zinc/69/83/42/184698342.db2.gz MXRPATXGHVQTRE-GDBMZVCRSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000094459006 184803971 /nfs/dbraw/zinc/80/39/71/184803971.db2.gz HATDMOWGQPJZEU-BZUAXINKSA-N 2 0 265.445 2.064 10 0 CEAERP C[NH2+][C@@H]1[C@@H](N2CC[NH+](CC3CC3)CC2)CCCC1(C)C ZINC000094274454 184774155 /nfs/dbraw/zinc/77/41/55/184774155.db2.gz PPQHGISZRVDBCQ-JKSUJKDBSA-N 2 0 279.472 2.181 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCCCCC[NH3+] ZINC000094462036 184805234 /nfs/dbraw/zinc/80/52/34/184805234.db2.gz MSFPSHZDCNATIB-HUUCEWRRSA-N 2 0 253.434 2.064 10 0 CEAERP C[NH+](C)CCS[C@@H]1CCc2ccccc2[C@H]1[NH3+] ZINC000095021796 184916873 /nfs/dbraw/zinc/91/68/73/184916873.db2.gz IPOMAXADCBCMFZ-ZIAGYGMSSA-N 2 0 250.411 2.296 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091450301 135070498 /nfs/dbraw/zinc/07/04/98/135070498.db2.gz IKQHXSUMXINQRV-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1CC[NH3+] ZINC000094444554 135089024 /nfs/dbraw/zinc/08/90/24/135089024.db2.gz QEWJHNYYDNLUPF-QGZVFWFLSA-N 2 0 273.424 2.171 10 0 CEAERP C(N[C@@H]1CC[NH2+]C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000094074681 394670472 /nfs/dbraw/zinc/67/04/72/394670472.db2.gz VKOPFBLGPICJRP-OAHLLOKOSA-N 2 0 265.445 2.127 10 0 CEAERP Brc1ccccc1CC[NH2+]C1CC[NH2+]CC1 ZINC000259011199 394599737 /nfs/dbraw/zinc/59/97/37/394599737.db2.gz NROUDWYAVKLFRY-UHFFFAOYSA-N 2 0 283.213 2.333 10 0 CEAERP C[C@@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000574069935 395625895 /nfs/dbraw/zinc/62/58/95/395625895.db2.gz DQJRKSAIJYVTKS-HIFRSBDPSA-N 2 0 254.418 2.171 10 0 CEAERP COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180104493 165296249 /nfs/dbraw/zinc/29/62/49/165296249.db2.gz CIFBITFGKOMBSW-ALOPSCKCSA-N 2 0 274.408 2.418 10 0 CEAERP CC[NH+]1CCC(N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129266 171017104 /nfs/dbraw/zinc/01/71/04/171017104.db2.gz HZECSOKSXQCSDI-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP [NH3+]CC[C@H](COc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000020402238 171182205 /nfs/dbraw/zinc/18/22/05/171182205.db2.gz ACYREVKMLLZZQI-CQSZACIVSA-N 2 0 266.360 2.408 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022221320 171378361 /nfs/dbraw/zinc/37/83/61/171378361.db2.gz IGTOSVCDNFRIRF-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP O=C(Nc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000037020581 172883743 /nfs/dbraw/zinc/88/37/43/172883743.db2.gz DPUCCHXEHOTLLP-HNNXBMFYSA-N 2 0 287.407 2.221 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCO2)CC1 ZINC000037210342 173032963 /nfs/dbraw/zinc/03/29/63/173032963.db2.gz CLQWFPUXCGFQAV-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)Oc1cccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)c1 ZINC000040640962 174364269 /nfs/dbraw/zinc/36/42/69/174364269.db2.gz KADQUTRUBBJRDB-QGZVFWFLSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH+](CC)CCNC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669622 174367989 /nfs/dbraw/zinc/36/79/89/174367989.db2.gz HKVCVCJPAFVAAY-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CCOC1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000040689245 174375832 /nfs/dbraw/zinc/37/58/32/174375832.db2.gz ZPINGDXCXFGIJA-AEGPPILISA-N 2 0 254.418 2.393 10 0 CEAERP CC[C@@H](C)[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694414 174377726 /nfs/dbraw/zinc/37/77/26/174377726.db2.gz ZHZDICPTPPCJPU-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP [NH3+]C[C@@H](c1cccnc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693747 174377743 /nfs/dbraw/zinc/37/77/43/174377743.db2.gz ZDDBMHHGSPJVFZ-KRWDZBQOSA-N 2 0 288.439 2.032 10 0 CEAERP COC(C)(C)C[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770168 174399925 /nfs/dbraw/zinc/39/99/25/174399925.db2.gz BSORJEWWIOAFDO-JKSUJKDBSA-N 2 0 299.503 2.052 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)C[C@@H]12 ZINC000312675135 414865163 /nfs/dbraw/zinc/86/51/63/414865163.db2.gz JRDDHWROQHMFOG-RRCSTGOVSA-N 2 0 272.392 2.222 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)C[C@H]12 ZINC000312675131 414865863 /nfs/dbraw/zinc/86/58/63/414865863.db2.gz JRDDHWROQHMFOG-BFJAYTPKSA-N 2 0 272.392 2.222 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000042318128 174683392 /nfs/dbraw/zinc/68/33/92/174683392.db2.gz DHOQQWICTPJOQQ-DOTOQJQBSA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000043324708 175006752 /nfs/dbraw/zinc/00/67/52/175006752.db2.gz DYPDXHAHHHWMMZ-QGZVFWFLSA-N 2 0 275.440 2.370 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335800 175010973 /nfs/dbraw/zinc/01/09/73/175010973.db2.gz JADZCCVKNWGSAK-ZBFHGGJFSA-N 2 0 277.412 2.086 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC[NH+](C)C)CC(C)C ZINC000043354820 175022665 /nfs/dbraw/zinc/02/26/65/175022665.db2.gz NPDOSACJLVIANA-IAGOWNOFSA-N 2 0 292.471 2.380 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C1CC[NH+](C)CC1 ZINC000043363799 175024866 /nfs/dbraw/zinc/02/48/66/175024866.db2.gz SWEWWNCYVCGELL-GDBMZVCRSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](N(CC[NH+](C)C)CC(C)C)C(F)(F)F ZINC000043379263 175030966 /nfs/dbraw/zinc/03/09/66/175030966.db2.gz NRPICWKTJXFOQX-VXGBXAGGSA-N 2 0 283.382 2.174 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393887 175034874 /nfs/dbraw/zinc/03/48/74/175034874.db2.gz OTDDZWOVUDXOQE-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043810868 175110494 /nfs/dbraw/zinc/11/04/94/175110494.db2.gz CROFWRQMJFEZHJ-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897331 175120138 /nfs/dbraw/zinc/12/01/38/175120138.db2.gz JAEIPMXVYZGTSF-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897458 175120479 /nfs/dbraw/zinc/12/04/79/175120479.db2.gz XANKOIGYTURWJN-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967831 175128942 /nfs/dbraw/zinc/12/89/42/175128942.db2.gz RZNONTLIXXDCGW-QAPCUYQASA-N 2 0 287.451 2.363 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1 ZINC000043967829 175129125 /nfs/dbraw/zinc/12/91/25/175129125.db2.gz OWLZPGZBNCKLON-SFHVURJKSA-N 2 0 287.451 2.283 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967805 175129295 /nfs/dbraw/zinc/12/92/95/175129295.db2.gz RFEMBMIOBKZNPK-HZPDHXFCSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H](CNC1=[NH+]C[C@H](c2ccccc2)S1)[NH+](C)C ZINC000045108731 175308939 /nfs/dbraw/zinc/30/89/39/175308939.db2.gz DJOGOWISPFTNJH-WCQYABFASA-N 2 0 263.410 2.370 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045113971 175311253 /nfs/dbraw/zinc/31/12/53/175311253.db2.gz ZCNZUEPZAZFVEP-NEPJUHHUSA-N 2 0 278.400 2.039 10 0 CEAERP CCC[NH2+][C@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038088 176026796 /nfs/dbraw/zinc/02/67/96/176026796.db2.gz UIEWKSITLYWFCG-GJZGRUSLSA-N 2 0 283.460 2.097 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071044419 176029794 /nfs/dbraw/zinc/02/97/94/176029794.db2.gz DASYRNPSUDRLRW-SUMWQHHRSA-N 2 0 274.408 2.360 10 0 CEAERP c1ccc2c(c1)CCO[C@@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071090730 176031196 /nfs/dbraw/zinc/03/11/96/176031196.db2.gz NXFSQECFJVEKRN-RDTXWAMCSA-N 2 0 286.419 2.374 10 0 CEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2OC)C1 ZINC000071142494 176040148 /nfs/dbraw/zinc/04/01/48/176040148.db2.gz LPXKXRDANSYUOP-UONOGXRCSA-N 2 0 262.397 2.168 10 0 CEAERP CC[C@H]1CCC[C@@H]([NH+]2CCN(C[C@@H](C)C[NH3+])CC2)C1 ZINC000071147448 176043699 /nfs/dbraw/zinc/04/36/99/176043699.db2.gz FTRLHQJFWFTQLU-HRCADAONSA-N 2 0 267.461 2.168 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000071161860 176046731 /nfs/dbraw/zinc/04/67/31/176046731.db2.gz NLSJIXQXJNXJEJ-SJORKVTESA-N 2 0 279.472 2.312 10 0 CEAERP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169805 176050682 /nfs/dbraw/zinc/05/06/82/176050682.db2.gz HLRSQXDGISWDAN-DZGCQCFKSA-N 2 0 262.397 2.297 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187851 176062117 /nfs/dbraw/zinc/06/21/17/176062117.db2.gz YNCLQNRWGQGTSC-UXLLHSPISA-N 2 0 275.440 2.267 10 0 CEAERP CCCCCC[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188607 176063648 /nfs/dbraw/zinc/06/36/48/176063648.db2.gz KTZPNNJIHQCFIY-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000071188982 176064979 /nfs/dbraw/zinc/06/49/79/176064979.db2.gz GGIDUQBKGKAHKM-NVXWUHKLSA-N 2 0 275.440 2.139 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000071190073 176065893 /nfs/dbraw/zinc/06/58/93/176065893.db2.gz SXLHKUUIESOCIT-ZDUSSCGKSA-N 2 0 291.414 2.466 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC000071191944 176071880 /nfs/dbraw/zinc/07/18/80/176071880.db2.gz DPOYKBRRODNOCV-CQSZACIVSA-N 2 0 279.428 2.081 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1 ZINC000071191925 176072671 /nfs/dbraw/zinc/07/26/71/176072671.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 3 0 275.440 2.180 10 0 CEAERP CC(C)C[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191834 176072692 /nfs/dbraw/zinc/07/26/92/176072692.db2.gz NSRNDPIQTCQPMH-OAHLLOKOSA-N 2 0 293.455 2.409 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200583 176077823 /nfs/dbraw/zinc/07/78/23/176077823.db2.gz LSENQFXLBVHFHD-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](CCOC)[C@@H](C)COC ZINC000071289732 176110691 /nfs/dbraw/zinc/11/06/91/176110691.db2.gz SIZJDCXFACIBSX-HNNXBMFYSA-N 2 0 274.449 2.140 10 0 CEAERP CCC[NH2+]CCCCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000071289976 176110754 /nfs/dbraw/zinc/11/07/54/176110754.db2.gz HYVZCGFHCORMKK-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCOC(=O)CCCCC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000071297825 176112589 /nfs/dbraw/zinc/11/25/89/176112589.db2.gz PMEDHKODPJJQTN-KBPBESRZSA-N 2 0 270.417 2.169 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401191 176153353 /nfs/dbraw/zinc/15/33/53/176153353.db2.gz QQEGKOFHSVSNQA-JKSUJKDBSA-N 2 0 291.439 2.169 10 0 CEAERP CN1CCC[C@@H]([N@H+](C)CCC[C@H]([NH3+])c2ccccc2)C1 ZINC000071402058 176153721 /nfs/dbraw/zinc/15/37/21/176153721.db2.gz RVMJYIWWSPVXFF-SJORKVTESA-N 2 0 275.440 2.493 10 0 CEAERP CC(C)Cc1ccc([C@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000071616688 176234695 /nfs/dbraw/zinc/23/46/95/176234695.db2.gz VIMCUODMHNUHGU-KRWDZBQOSA-N 2 0 275.440 2.132 10 0 CEAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000136356404 419445431 /nfs/dbraw/zinc/44/54/31/419445431.db2.gz WVTFXWZUXCBUAR-AWEZNQCLSA-N 2 0 263.385 2.060 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390569890 262219923 /nfs/dbraw/zinc/21/99/23/262219923.db2.gz BHNNANTXYYBERH-GDBMZVCRSA-N 2 0 262.397 2.323 10 0 CEAERP CCC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](C)C ZINC000137903084 280069857 /nfs/dbraw/zinc/06/98/57/280069857.db2.gz HDUWSIGUTKKUEE-UXLLHSPISA-N 2 0 297.487 2.343 10 0 CEAERP C[C@@H]([NH2+]CCCc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000576146993 314246643 /nfs/dbraw/zinc/24/66/43/314246643.db2.gz VJVKJAGUJLSUOR-NEPJUHHUSA-N 2 0 253.415 2.053 10 0 CEAERP CC(C)C[NH2+]CCCCCN1CC[NH+](CC2CC2)CC1 ZINC000052372506 519743179 /nfs/dbraw/zinc/74/31/79/519743179.db2.gz HSGDVKWTSDENMI-UHFFFAOYSA-N 2 0 281.488 2.430 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711759 519911196 /nfs/dbraw/zinc/91/11/96/519911196.db2.gz NQMDKBDSFXGIED-AWEZNQCLSA-N 2 0 254.418 2.003 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055071836 519981989 /nfs/dbraw/zinc/98/19/89/519981989.db2.gz UDIMTZGCNNTCLY-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000052546175 519994428 /nfs/dbraw/zinc/99/44/28/519994428.db2.gz BJHXXBARVKDLBU-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1CC ZINC000061655606 520032863 /nfs/dbraw/zinc/03/28/63/520032863.db2.gz ZMEALKGLHBGWLR-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)C[N@@H+]1CC[C@H](O)C1 ZINC000061712053 520211334 /nfs/dbraw/zinc/21/13/34/520211334.db2.gz LAOSFXSHRZEWPN-KBMXLJTQSA-N 2 0 262.397 2.040 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1cccc(C)c1 ZINC000062740995 520307890 /nfs/dbraw/zinc/30/78/90/520307890.db2.gz QDOVQAZJBKWIMF-OAHLLOKOSA-N 2 0 250.386 2.181 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C)C1 ZINC000052372324 520527316 /nfs/dbraw/zinc/52/73/16/520527316.db2.gz HEYJXNVLSWCWJV-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[C@](C)(C[NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055081818 521267354 /nfs/dbraw/zinc/26/73/54/521267354.db2.gz PLFVJQPBTLPKHT-OAHLLOKOSA-N 2 0 255.450 2.025 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]CC(C)C)no1 ZINC000052544201 521656829 /nfs/dbraw/zinc/65/68/29/521656829.db2.gz ZHKHYZWQKCZLPS-UHFFFAOYSA-N 2 0 296.459 2.194 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)(C)C)CC2)c(C)o1 ZINC000052571705 522106807 /nfs/dbraw/zinc/10/68/07/522106807.db2.gz PHUKCFNURMENOP-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400398973 533995040 /nfs/dbraw/zinc/99/50/40/533995040.db2.gz PYDZVELLGLSLBD-NUEKZKHPSA-N 2 0 261.413 2.019 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050945831 518706615 /nfs/dbraw/zinc/70/66/15/518706615.db2.gz KAMHQGAGWAJPKA-UHFFFAOYSA-N 2 0 295.471 2.145 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023224 518713741 /nfs/dbraw/zinc/71/37/41/518713741.db2.gz RJZQDZUEQRLQEJ-HNNXBMFYSA-N 2 0 288.439 2.470 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419749 519724332 /nfs/dbraw/zinc/72/43/32/519724332.db2.gz KYJNCPHWHUBWGT-OAHLLOKOSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377145 519725194 /nfs/dbraw/zinc/72/51/94/519725194.db2.gz ZTHKFDARBPHQKV-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]CC2CCCCC2)CC1 ZINC000055076007 519725898 /nfs/dbraw/zinc/72/58/98/519725898.db2.gz GHGODHDLXWTJRY-UHFFFAOYSA-N 2 0 281.488 2.430 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000052371382 519726806 /nfs/dbraw/zinc/72/68/06/519726806.db2.gz IQPPSPAMXRNPIB-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccc(F)cc2)[C@H](C)[NH3+])CC1 ZINC000055077391 519727868 /nfs/dbraw/zinc/72/78/68/519727868.db2.gz GABWBSMHRGWAIS-YOEHRIQHSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055079691 519728023 /nfs/dbraw/zinc/72/80/23/519728023.db2.gz YPSWONXVKJVDQJ-MRXNPFEDSA-N 2 0 288.439 2.327 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182201 519742873 /nfs/dbraw/zinc/74/28/73/519742873.db2.gz CGHVENYWUJIVPX-HNNXBMFYSA-N 2 0 268.445 2.371 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571723 519744213 /nfs/dbraw/zinc/74/42/13/519744213.db2.gz QPQFRAWUOFDQPQ-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504454 519747884 /nfs/dbraw/zinc/74/78/84/519747884.db2.gz RJYSGQMSPVSKTL-AWEZNQCLSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655460 519748317 /nfs/dbraw/zinc/74/83/17/519748317.db2.gz MQMQIQMVRFHOJP-ZDUSSCGKSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419754 519815794 /nfs/dbraw/zinc/81/57/94/519815794.db2.gz KONFRXQRQLEDOC-HNNXBMFYSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2O)CC1 ZINC000049555220 519846844 /nfs/dbraw/zinc/84/68/44/519846844.db2.gz MJKOMNVRAPABEG-CABCVRRESA-N 2 0 254.418 2.144 10 0 CEAERP CCCC1CCN([C@@]2(C[NH3+])CC[N@@H+](C(C)C)C2)CC1 ZINC000050893250 519903482 /nfs/dbraw/zinc/90/34/82/519903482.db2.gz LDPNCCZGLWDUHA-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1C[NH+]2CCC1CC2 ZINC000054601375 519909797 /nfs/dbraw/zinc/90/97/97/519909797.db2.gz VVRXVRJWEQTPTI-NPYXIHBLSA-N 2 0 277.456 2.076 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC000054629102 519911144 /nfs/dbraw/zinc/91/11/44/519911144.db2.gz WNXFKBDQQAWCFT-AVOUXACISA-N 2 0 252.402 2.018 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054628891 519911356 /nfs/dbraw/zinc/91/13/56/519911356.db2.gz HHCYZHHLKOBNAJ-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480091 519913512 /nfs/dbraw/zinc/91/35/12/519913512.db2.gz OQUDMGUPEKXZFR-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000061290999 519917756 /nfs/dbraw/zinc/91/77/56/519917756.db2.gz WQSWNEOHKCVTIL-UHFFFAOYSA-N 2 0 275.396 2.221 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000052371426 519949204 /nfs/dbraw/zinc/94/92/04/519949204.db2.gz CMXDHDFEXWYTBT-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542304 519953920 /nfs/dbraw/zinc/95/39/20/519953920.db2.gz JLTCPMZODCJXHM-JKSUJKDBSA-N 2 0 292.423 2.284 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374505 519954033 /nfs/dbraw/zinc/95/40/33/519954033.db2.gz UIAKBVWWHRIGRN-HOTGVXAUSA-N 2 0 260.381 2.159 10 0 CEAERP CCC[NH2+]Cc1ccccc1C[NH+](CCOC)CCOC ZINC000052571512 519956226 /nfs/dbraw/zinc/95/62/26/519956226.db2.gz JELFXJOCKGFPFE-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655450 519962985 /nfs/dbraw/zinc/96/29/85/519962985.db2.gz CABQQCQEIJLYNX-GFCCVEGCSA-N 2 0 282.457 2.173 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000062971112 519965293 /nfs/dbraw/zinc/96/52/93/519965293.db2.gz GMCKVODZJCKVMY-CYBMUJFWSA-N 2 0 296.846 2.375 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052419945 519975791 /nfs/dbraw/zinc/97/57/91/519975791.db2.gz VJHCPROVBKIMQE-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979348 520021854 /nfs/dbraw/zinc/02/18/54/520021854.db2.gz HYMKGQQHUDXJAT-ARFHVFGLSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079371 520022200 /nfs/dbraw/zinc/02/22/00/520022200.db2.gz FMFMSAZNQCUGGJ-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](CCOC)[C@@H](C)COC)cc1C ZINC000052572469 520027843 /nfs/dbraw/zinc/02/78/43/520027843.db2.gz XOMDNMMZUXVERL-AWEZNQCLSA-N 2 0 298.427 2.181 10 0 CEAERP CC[NH2+][C@@H](CC)CN1CCC([NH+]2CCCCC2)CC1 ZINC000050179431 520082095 /nfs/dbraw/zinc/08/20/95/520082095.db2.gz DLZNCENOHWOQIL-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121972 520119075 /nfs/dbraw/zinc/11/90/75/520119075.db2.gz ZFJAAABVCULRSI-JKSUJKDBSA-N 3 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](CC)CCO ZINC000054560041 520120167 /nfs/dbraw/zinc/12/01/67/520120167.db2.gz FRKYYOAGLCQNMX-BZUAXINKSA-N 2 0 270.461 2.351 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653578 520123260 /nfs/dbraw/zinc/12/32/60/520123260.db2.gz VBNIXYSUMGVITD-QBPKDAKJSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627603 520633426 /nfs/dbraw/zinc/63/34/26/520633426.db2.gz YYUUVFKJJHYPHQ-HNSVSWJLSA-N 3 0 267.461 2.451 10 0 CEAERP CC[NH+](CC)CCO[C@@H](C[NH2+]C)c1ccccc1 ZINC000052672076 520695021 /nfs/dbraw/zinc/69/50/21/520695021.db2.gz ZXTMZQURRCPVBW-HNNXBMFYSA-N 2 0 250.386 2.306 10 0 CEAERP CC[N@H+](CCCCCO)Cc1ccccc1C[NH3+] ZINC000051020320 521002346 /nfs/dbraw/zinc/00/23/46/521002346.db2.gz KZGFMTVKEIPIOK-UHFFFAOYSA-N 2 0 250.386 2.130 10 0 CEAERP CCC[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052480669 521035239 /nfs/dbraw/zinc/03/52/39/521035239.db2.gz MHGYELDAYHTONS-ZDUSSCGKSA-N 2 0 281.448 2.287 10 0 CEAERP CCCc1nc(N(CCC)CC[NH+](C)C)sc1C[NH3+] ZINC000055000575 521531277 /nfs/dbraw/zinc/53/12/77/521531277.db2.gz KTARJEDUNQNKPG-UHFFFAOYSA-N 2 0 284.473 2.332 10 0 CEAERP CC[NH+]1CCC(N(C)c2ccc(Cl)c(C[NH2+]C)n2)CC1 ZINC000051489427 521566956 /nfs/dbraw/zinc/56/69/56/521566956.db2.gz OLQAFBMPCYVQNX-UHFFFAOYSA-N 2 0 296.846 2.375 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000164394223 521603341 /nfs/dbraw/zinc/60/33/41/521603341.db2.gz CUFCEBQSSHCXCJ-HZPDHXFCSA-N 2 0 295.471 2.145 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@](C)([NH3+])c1ccccc1 ZINC000052883650 521656731 /nfs/dbraw/zinc/65/67/31/521656731.db2.gz BFRHNCGZPGSYSR-INIZCTEOSA-N 2 0 263.429 2.134 10 0 CEAERP CCC[N@H+](CCN(C)C)Cc1ccccc1C[NH2+]C ZINC000052544276 521657669 /nfs/dbraw/zinc/65/76/69/521657669.db2.gz KHUDOKAZLDRKKF-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1C1(C[NH3+])CCCCCC1 ZINC000061643054 521834989 /nfs/dbraw/zinc/83/49/89/521834989.db2.gz KJSYVUOKVJPQJU-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CN(C)C[C@H]1CCC[N@@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654453 521871358 /nfs/dbraw/zinc/87/13/58/521871358.db2.gz GUEGWIPUEMKZAO-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794314 521873110 /nfs/dbraw/zinc/87/31/10/521873110.db2.gz LCKIIUGIUVQEAL-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000061643521 521874128 /nfs/dbraw/zinc/87/41/28/521874128.db2.gz BFHFNHHEOKSZAU-NXHRZFHOSA-N 2 0 287.451 2.417 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+](C(C)C)C(C)C ZINC000054627381 521955693 /nfs/dbraw/zinc/95/56/93/521955693.db2.gz TXSLLOFBSFCGBA-MQVJKMGUSA-N 2 0 267.461 2.320 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370910 522094096 /nfs/dbraw/zinc/09/40/96/522094096.db2.gz AEWQJRDHWARRFF-HIFRSBDPSA-N 2 0 264.369 2.011 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000052453364 522123299 /nfs/dbraw/zinc/12/32/99/522123299.db2.gz IOXNQCMGVXPEOU-CQSZACIVSA-N 2 0 280.437 2.222 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063638 522129133 /nfs/dbraw/zinc/12/91/33/522129133.db2.gz FCWROGPQROWBMC-ZBFHGGJFSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074951 522132098 /nfs/dbraw/zinc/13/20/98/522132098.db2.gz SWXZGTLUYTZEHK-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+]Cc1oc2ccccc2c1C[N@H+](C)CCOC ZINC000052572818 522160934 /nfs/dbraw/zinc/16/09/34/522160934.db2.gz RCDDYPDEEJQTGS-UHFFFAOYSA-N 2 0 262.353 2.230 10 0 CEAERP CC[C@H](C[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973742 522191214 /nfs/dbraw/zinc/19/12/14/522191214.db2.gz VALJYFCDFBJOHP-CVEARBPZSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075234 522228139 /nfs/dbraw/zinc/22/81/39/522228139.db2.gz XNNOAZNTWWTDLI-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642092 522343782 /nfs/dbraw/zinc/34/37/82/522343782.db2.gz ZHPAVZXXSVRNFE-VNHYZAJKSA-N 2 0 265.401 2.084 10 0 CEAERP CCc1nc(N(C)C2CC[NH+](CC)CC2)sc1C[NH3+] ZINC000055000540 522378616 /nfs/dbraw/zinc/37/86/16/522378616.db2.gz XFEDMXGOPUDWQL-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N3CCC[C@@H]3C[NH+](C)C)sc21 ZINC000061655463 522390434 /nfs/dbraw/zinc/39/04/34/522390434.db2.gz UVHWOZCIMYMXCV-VXGBXAGGSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062804179 522397749 /nfs/dbraw/zinc/39/77/49/522397749.db2.gz FZKRFYHDJPFKLB-OAHLLOKOSA-N 2 0 276.380 2.204 10 0 CEAERP C[NH2+][C@H](C)CCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000045599183 522440039 /nfs/dbraw/zinc/44/00/39/522440039.db2.gz TYFXEGSIQSHSLR-OAHLLOKOSA-N 2 0 291.439 2.205 10 0 CEAERP C[N@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052181275 522592976 /nfs/dbraw/zinc/59/29/76/522592976.db2.gz SLYBUJXIDXOHHH-UHFFFAOYSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977286 522649462 /nfs/dbraw/zinc/64/94/62/522649462.db2.gz PYZGOQNRJSGIIT-UXLLHSPISA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180417 523108856 /nfs/dbraw/zinc/10/88/56/523108856.db2.gz QVKKQLGXMFUHHK-HNNXBMFYSA-N 2 0 266.429 2.410 10 0 CEAERP CCn1cc(C[NH2+]CCCC[N@H+](C)C(C)C)cn1 ZINC000050539811 523382235 /nfs/dbraw/zinc/38/22/35/523382235.db2.gz SPWSAKYKGRDWLC-UHFFFAOYSA-N 2 0 252.406 2.113 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570853 523518378 /nfs/dbraw/zinc/51/83/78/523518378.db2.gz OJCRSDWERWWEQV-CZUORRHYSA-N 2 0 262.397 2.405 10 0 CEAERP COCC[N@H+](C)CCOc1ccccc1C[NH2+]CC(C)C ZINC000052572849 523615926 /nfs/dbraw/zinc/61/59/26/523615926.db2.gz LSTSSHVHPOXOJL-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP COCC[N@H+](C)Cc1c2ccccc2sc1C[NH3+] ZINC000052572871 523619952 /nfs/dbraw/zinc/61/99/52/523619952.db2.gz SXZLKAQILNIJAD-UHFFFAOYSA-N 2 0 264.394 2.438 10 0 CEAERP CN(c1cc(Cl)ccc1C(N)=[NH2+])C1CC[NH+](C)CC1 ZINC000062788759 523632165 /nfs/dbraw/zinc/63/21/65/523632165.db2.gz FNUKFKLYGZGQMF-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP CC[C@@](C)(C[NH2+]CC(C)C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969939 523640722 /nfs/dbraw/zinc/64/07/22/523640722.db2.gz XLTPSWDFNFIZRJ-HOTGVXAUSA-N 2 0 269.477 2.284 10 0 CEAERP COCC[N@H+](Cc1ccc(C[NH2+]C(C)C)o1)[C@@H](C)COC ZINC000052572332 523749238 /nfs/dbraw/zinc/74/92/38/523749238.db2.gz DBBWSZSMWAILBB-AWEZNQCLSA-N 2 0 298.427 2.261 10 0 CEAERP COCC[N@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572352 523771541 /nfs/dbraw/zinc/77/15/41/523771541.db2.gz QRZJVIHLSQOSLM-ZDUSSCGKSA-N 2 0 296.411 2.015 10 0 CEAERP COCC[N@H+](Cc1occc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572318 523778068 /nfs/dbraw/zinc/77/80/68/523778068.db2.gz KYXIEWIZIFAMBR-AWEZNQCLSA-N 2 0 298.427 2.261 10 0 CEAERP COCC[N@H+]([C@H](C)CCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572402 523781113 /nfs/dbraw/zinc/78/11/13/523781113.db2.gz GUNQYFUQUKEHQT-CABCVRRESA-N 2 0 274.449 2.136 10 0 CEAERP COCC[N@H+]([C@@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572463 523781424 /nfs/dbraw/zinc/78/14/24/523781424.db2.gz TXPLIAYXRLYHMR-KBPBESRZSA-N 2 0 274.449 2.136 10 0 CEAERP COCC[N@H+]([C@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017251 523782052 /nfs/dbraw/zinc/78/20/52/523782052.db2.gz NZZODCIUGSDUIU-ZBFHGGJFSA-N 2 0 280.412 2.060 10 0 CEAERP C[NH+]1CCC(Oc2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860385 523782884 /nfs/dbraw/zinc/78/28/84/523782884.db2.gz BAJJPRGFLHOPSK-UHFFFAOYSA-N 2 0 267.760 2.097 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000052762563 523793371 /nfs/dbraw/zinc/79/33/71/523793371.db2.gz URXZNAIVJMWESN-HUUCEWRRSA-N 2 0 254.418 2.098 10 0 CEAERP C[NH+]1CCN([C@H](C[NH3+])c2csc3ccccc23)CC1 ZINC000054463851 523919594 /nfs/dbraw/zinc/91/95/94/523919594.db2.gz COLNZIDFFGQJMC-CQSZACIVSA-N 2 0 275.421 2.149 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052547356 523939739 /nfs/dbraw/zinc/93/97/39/523939739.db2.gz MRXHGHBQNSGLKY-NSHDSACASA-N 2 0 254.374 2.294 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065109 523953524 /nfs/dbraw/zinc/95/35/24/523953524.db2.gz GZHUZHILKFJLOS-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074759 523954541 /nfs/dbraw/zinc/95/45/41/523954541.db2.gz YDGCGQWATZPIKL-HOTGVXAUSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055072435 523954765 /nfs/dbraw/zinc/95/47/65/523954765.db2.gz YWOVBCBHZKTBKE-UONOGXRCSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000055076315 523961729 /nfs/dbraw/zinc/96/17/29/523961729.db2.gz QPMQANOPOHPNGQ-WDEREUQCSA-N 2 0 268.430 2.083 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C[NH3+])CC1 ZINC000055063362 523961829 /nfs/dbraw/zinc/96/18/29/523961829.db2.gz TUKDWMAKNYMDIT-AWEZNQCLSA-N 2 0 276.428 2.078 10 0 CEAERP C[NH+](C)C1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052477521 524039622 /nfs/dbraw/zinc/03/96/22/524039622.db2.gz CFTYGEDIEOSFIT-UHFFFAOYSA-N 3 0 255.450 2.181 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052515304 524049719 /nfs/dbraw/zinc/04/97/19/524049719.db2.gz DDOQALZHDZZSHO-UHFFFAOYSA-N 3 0 291.439 2.305 10 0 CEAERP C[NH+](C)CC1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266404 524050539 /nfs/dbraw/zinc/05/05/39/524050539.db2.gz LMTBRSFWRRTMLA-KRWDZBQOSA-N 2 0 273.424 2.105 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515504 524191536 /nfs/dbraw/zinc/19/15/36/524191536.db2.gz HOWTURXNSSXHJC-CQSZACIVSA-N 3 0 269.477 2.427 10 0 CEAERP C[C@@H]1CCC[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125537 524346391 /nfs/dbraw/zinc/34/63/91/524346391.db2.gz JEGDVSPHMBXHHZ-FXUDXRNXSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](CC[NH+](C)C)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049553776 524479713 /nfs/dbraw/zinc/47/97/13/524479713.db2.gz GDOIKWXPDWJFMG-RDJZCZTQSA-N 2 0 275.440 2.191 10 0 CEAERP Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000061654759 524683412 /nfs/dbraw/zinc/68/34/12/524683412.db2.gz SMOYBDPSIANXLH-OAHLLOKOSA-N 2 0 291.439 2.366 10 0 CEAERP C[C@H]([NH3+])c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644791 524861212 /nfs/dbraw/zinc/86/12/12/524861212.db2.gz MBKQBVZKXYRCIB-WCQYABFASA-N 2 0 265.376 2.376 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655769 525028646 /nfs/dbraw/zinc/02/86/46/525028646.db2.gz QJTXTPWZDBNESK-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642046 525434563 /nfs/dbraw/zinc/43/45/63/525434563.db2.gz IYGAXUXKUSPRHZ-INMHGKMJSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)ccc1F ZINC000061642754 525480678 /nfs/dbraw/zinc/48/06/78/525480678.db2.gz MXDMEFNUZLLMDG-GDBMZVCRSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)ccc1F ZINC000063051165 525482169 /nfs/dbraw/zinc/48/21/69/525482169.db2.gz DNRUAFWWUMSCDE-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643503 525766785 /nfs/dbraw/zinc/76/67/85/525766785.db2.gz PASNUHYIPKSXGP-OIISXLGYSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CC[NH+]2CCCC2)cc1 ZINC000063050685 525786384 /nfs/dbraw/zinc/78/63/84/525786384.db2.gz VDPSQSWVKQPQOO-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077421 525889453 /nfs/dbraw/zinc/88/94/53/525889453.db2.gz YEXKUPCMHGROEK-AWEZNQCLSA-N 2 0 281.469 2.330 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642066 525891163 /nfs/dbraw/zinc/89/11/63/525891163.db2.gz AYWHMQSAELQLKO-MCIONIFRSA-N 2 0 281.469 2.471 10 0 CEAERP COc1cccc(C[N@H+](C)Cc2cccnc2C[NH3+])c1 ZINC000061656677 525911832 /nfs/dbraw/zinc/91/18/32/525911832.db2.gz BAVSXGABKNXRPF-UHFFFAOYSA-N 2 0 271.364 2.181 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000062979170 525961962 /nfs/dbraw/zinc/96/19/62/525961962.db2.gz GGJPCAGPNFNADP-FUHWJXTLSA-N 2 0 287.451 2.473 10 0 CEAERP Cc1ccc2c(c1)[nH+]c(N)n2CC[NH+]1CCCCC1 ZINC000049575355 526219996 /nfs/dbraw/zinc/21/99/96/526219996.db2.gz WFMJGVVYWOQVBC-UHFFFAOYSA-N 2 0 258.369 2.413 10 0 CEAERP Fc1ccccc1N1CC[NH+](CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000052764392 526414102 /nfs/dbraw/zinc/41/41/02/526414102.db2.gz XTYPFFSRLAKFPB-HNNXBMFYSA-N 2 0 291.414 2.480 10 0 CEAERP c1ccc(CN2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764567 526470950 /nfs/dbraw/zinc/47/09/50/526470950.db2.gz VJDIJHSDINMTNZ-GOSISDBHSA-N 2 0 287.451 2.336 10 0 CEAERP NC(=[NH2+])c1cc(Cl)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000052860126 526820717 /nfs/dbraw/zinc/82/07/17/526820717.db2.gz JIYQMGVPLWIQLJ-UHFFFAOYSA-N 2 0 292.814 2.156 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@H]2C2CCCC2)CCOCC1 ZINC000052182757 527163645 /nfs/dbraw/zinc/16/36/45/527163645.db2.gz QKDLQEBTOQMOLH-HNNXBMFYSA-N 2 0 266.429 2.397 10 0 CEAERP [NH3+]Cc1c(Cl)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000048995512 527243465 /nfs/dbraw/zinc/24/34/65/527243465.db2.gz AXBAJUZVOWPNNH-UHFFFAOYSA-N 2 0 279.815 2.331 10 0 CEAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000261552011 623373212 /nfs/dbraw/zinc/37/32/12/623373212.db2.gz QXOUHAPFUINIMZ-OOHWJJMZSA-N 2 0 275.440 2.366 10 0 CEAERP CCn1nc(C)c([C@H](C)[NH2+]C2CCC([NH3+])CC2)c1C ZINC000051694603 624522836 /nfs/dbraw/zinc/52/28/36/624522836.db2.gz KCXRGYPEXPKXKV-FNBIGBAISA-N 2 0 264.417 2.440 10 0 CEAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236727293 628630895 /nfs/dbraw/zinc/63/08/95/628630895.db2.gz HLRCJOPOMGSKJF-HZPDHXFCSA-N 2 0 295.471 2.001 10 0 CEAERP CC(C)(C)n1cc([C@@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757237537 631838449 /nfs/dbraw/zinc/83/84/49/631838449.db2.gz QEWPQDPOJJXJDY-AAEUAGOBSA-N 2 0 250.390 2.028 10 0 CEAERP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129106779 651805834 /nfs/dbraw/zinc/80/58/34/651805834.db2.gz AIYKVXQDVPTBRQ-KGLIPLIRSA-N 2 0 264.417 2.030 10 0 CEAERP C[C@@H]1CCC[C@@](CN[C@@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000129173830 651858947 /nfs/dbraw/zinc/85/89/47/651858947.db2.gz DLOBCOOWXQESFX-BZUAXINKSA-N 2 0 267.461 2.229 10 0 CEAERP CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000121828299 365620011 /nfs/dbraw/zinc/62/00/11/365620011.db2.gz IGPHWIWWAMIUNK-GJZGRUSLSA-N 2 0 283.460 2.097 10 0 CEAERP C[C@H]1CCC[C@@H](c2cncn2CCC[NH+](C)C)[NH2+]1 ZINC000097010941 185151442 /nfs/dbraw/zinc/15/14/42/185151442.db2.gz GTKMLBMAJBXFBB-STQMWFEESA-N 2 0 250.390 2.038 10 0 CEAERP CCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000040803898 362000968 /nfs/dbraw/zinc/00/09/68/362000968.db2.gz VIFJWQDGBBUSDJ-HNNXBMFYSA-N 2 0 295.471 2.419 10 0 CEAERP C[NH2+]CC[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000725269132 539214871 /nfs/dbraw/zinc/21/48/71/539214871.db2.gz LYXXKFCXKZLAQR-ZETCQYMHSA-N 2 0 263.204 2.162 10 0 CEAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cncnc3)C2)[nH+]1 ZINC000128267965 539253028 /nfs/dbraw/zinc/25/30/28/539253028.db2.gz LWWRIJGWVVOXJM-AWEZNQCLSA-N 2 0 283.379 2.114 10 0 CEAERP c1cn2c(n1)C1(CC[NH2+]CC1)c1ccccc1CC2 ZINC000140565859 344398276 /nfs/dbraw/zinc/39/82/76/344398276.db2.gz BRYXNMQQQRHIIW-UHFFFAOYSA-N 2 0 253.349 2.109 10 0 CEAERP COc1ccc(CN(C)[C@@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465271 344550139 /nfs/dbraw/zinc/55/01/39/344550139.db2.gz XIIBJLPXGWXZBW-CYBMUJFWSA-N 2 0 266.360 2.408 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCO)C2)CC(C)(C)C1 ZINC000384331190 344828450 /nfs/dbraw/zinc/82/84/50/344828450.db2.gz ADKHKFCDPMGWCE-RBSFLKMASA-N 2 0 268.445 2.248 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084182789 178817669 /nfs/dbraw/zinc/81/76/69/178817669.db2.gz SEGADLCTSPBSMV-UHFFFAOYSA-N 2 0 295.471 2.371 10 0 CEAERP CC[NH2+][C@@H](C)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000084391181 178879134 /nfs/dbraw/zinc/87/91/34/178879134.db2.gz BPPUPAPSUAYLAF-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000085361671 179033728 /nfs/dbraw/zinc/03/37/28/179033728.db2.gz AEIRCISCYTYWGG-JKSUJKDBSA-N 2 0 287.407 2.348 10 0 CEAERP CCOCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403580 179053330 /nfs/dbraw/zinc/05/33/30/179053330.db2.gz BREGTTBGUDBXLF-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573503 179099267 /nfs/dbraw/zinc/09/92/67/179099267.db2.gz POIRSJRFRSJQBG-LBPRGKRZSA-N 2 0 274.412 2.063 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613224 179103023 /nfs/dbraw/zinc/10/30/23/179103023.db2.gz ZBKOMDCVYQHMGT-ZDUSSCGKSA-N 2 0 294.361 2.419 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637171 179110076 /nfs/dbraw/zinc/11/00/76/179110076.db2.gz HQSLJAOPYKXDQM-ZNMIVQPWSA-N 2 0 266.429 2.121 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085669953 179111271 /nfs/dbraw/zinc/11/12/71/179111271.db2.gz CDPVBYBVEPWWAY-RDBSUJKOSA-N 2 0 268.445 2.367 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086172120 179244275 /nfs/dbraw/zinc/24/42/75/179244275.db2.gz BPWNBHVDIQHWJK-OWCLPIDISA-N 2 0 267.461 2.035 10 0 CEAERP CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173647 179244550 /nfs/dbraw/zinc/24/45/50/179244550.db2.gz PWPQJRXFINJFFV-HZPDHXFCSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217837 179249564 /nfs/dbraw/zinc/24/95/64/179249564.db2.gz YALPJIAVLFXQIH-OAHLLOKOSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217884 179249686 /nfs/dbraw/zinc/24/96/86/179249686.db2.gz CJWRHOQCJOBSSB-HZPDHXFCSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217750 179249957 /nfs/dbraw/zinc/24/99/57/179249957.db2.gz KDSDVBJJHMXMNZ-RDJZCZTQSA-N 2 0 275.440 2.147 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217820 179250148 /nfs/dbraw/zinc/25/01/48/179250148.db2.gz BBRCYLOKEJDMRF-AWEZNQCLSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH+]1CCC(CN2C[C@H](CC(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086259167 179257724 /nfs/dbraw/zinc/25/77/24/179257724.db2.gz RPTAOFZHCFYAIO-RDJZCZTQSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259198 179258229 /nfs/dbraw/zinc/25/82/29/179258229.db2.gz MSFHGSRIGSZLDM-JZXOWHBKSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259663 179259443 /nfs/dbraw/zinc/25/94/43/179259443.db2.gz ZSWSZPBMDXOXSA-BFYDXBDKSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@@]1(C)C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261046 179260283 /nfs/dbraw/zinc/26/02/83/179260283.db2.gz ANMYLAGHDYWBBU-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289408 179264595 /nfs/dbraw/zinc/26/45/95/179264595.db2.gz KMASDZADOMHJQV-MRXNPFEDSA-N 2 0 279.472 2.469 10 0 CEAERP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C)CN1 ZINC000086259061 179256793 /nfs/dbraw/zinc/25/67/93/179256793.db2.gz QWYNEYXXWJLMDX-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CC[NH+](C)C)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086290486 179265354 /nfs/dbraw/zinc/26/53/54/179265354.db2.gz LLXBHEALNWIHGA-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291442 179265782 /nfs/dbraw/zinc/26/57/82/179265782.db2.gz UQYFZTYSPAZUER-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291666 179265984 /nfs/dbraw/zinc/26/59/84/179265984.db2.gz LMBVTENBKFTTNN-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086397613 179285355 /nfs/dbraw/zinc/28/53/55/179285355.db2.gz OCYGAOSEJBBAER-RYUDHWBXSA-N 2 0 269.186 2.419 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443794 179293513 /nfs/dbraw/zinc/29/35/13/179293513.db2.gz XLDRBUSQEFDEQY-LLVKDONJSA-N 2 0 294.468 2.400 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443659 179293518 /nfs/dbraw/zinc/29/35/18/179293518.db2.gz PRYJMMPSKLJAEJ-NSHDSACASA-N 2 0 282.457 2.257 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)CS1 ZINC000086633004 179315364 /nfs/dbraw/zinc/31/53/64/179315364.db2.gz DLBIOTHSNVKTBH-NEPJUHHUSA-N 2 0 257.447 2.291 10 0 CEAERP C[C@H]1CCC[C@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000086676628 179318987 /nfs/dbraw/zinc/31/89/87/179318987.db2.gz CORVPMCCMHEUCQ-DOTOQJQBSA-N 2 0 279.472 2.454 10 0 CEAERP CCN(Cc1cccs1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819400 179347944 /nfs/dbraw/zinc/34/79/44/179347944.db2.gz NCQRPELEVXLCRZ-OAHLLOKOSA-N 2 0 281.469 2.383 10 0 CEAERP CN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819506 179348250 /nfs/dbraw/zinc/34/82/50/179348250.db2.gz WRKMBWMWKZNENZ-OAHLLOKOSA-N 2 0 265.376 2.075 10 0 CEAERP CCc1ccc(N(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819514 179348640 /nfs/dbraw/zinc/34/86/40/179348640.db2.gz ZMLJITLSYATCEU-QGZVFWFLSA-N 2 0 275.440 2.498 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848373 179356308 /nfs/dbraw/zinc/35/63/08/179356308.db2.gz VQGKUKRLGZDIHQ-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP CCC(CC)N(C)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847164 179356350 /nfs/dbraw/zinc/35/63/50/179356350.db2.gz YXBDEXIQFBNYDQ-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2OC)CC1 ZINC000086848303 179356485 /nfs/dbraw/zinc/35/64/85/179356485.db2.gz SGSCLCSBWHADQI-QGZVFWFLSA-N 2 0 291.439 2.335 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847541 179356511 /nfs/dbraw/zinc/35/65/11/179356511.db2.gz HDEJBHKYADYWPQ-OAHLLOKOSA-N 2 0 285.501 2.019 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848433 179356601 /nfs/dbraw/zinc/35/66/01/179356601.db2.gz WMVVGHPEPBBINU-QGZVFWFLSA-N 2 0 273.424 2.206 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842474 179354089 /nfs/dbraw/zinc/35/40/89/179354089.db2.gz YXDOVANYQSPWMM-OAHLLOKOSA-N 2 0 262.397 2.399 10 0 CEAERP CCCN(C(C)C)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846774 179355210 /nfs/dbraw/zinc/35/52/10/179355210.db2.gz JRWWSQGMEQGFEQ-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)C2CC2)CC1 ZINC000086846681 179355663 /nfs/dbraw/zinc/35/56/63/179355663.db2.gz UBPIRUXRSRFWQY-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851235 179359203 /nfs/dbraw/zinc/35/92/03/179359203.db2.gz SMQULMAHDPYRIE-MRXNPFEDSA-N 3 0 267.461 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086852814 179359450 /nfs/dbraw/zinc/35/94/50/179359450.db2.gz CEEBRIVTPNUDCJ-LSDHHAIUSA-N 2 0 254.418 2.146 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000087697782 179472299 /nfs/dbraw/zinc/47/22/99/179472299.db2.gz JENRDIRLTHOSFG-CABCVRRESA-N 2 0 295.471 2.227 10 0 CEAERP CC(C)(CC[NH+]1CCc2ccccc2CC1)C(N)=[NH2+] ZINC000087593992 179451857 /nfs/dbraw/zinc/45/18/57/179451857.db2.gz ZVZCXJMUEXIUKP-UHFFFAOYSA-N 2 0 259.397 2.439 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCCC(C)(C)C(N)=S)CC1 ZINC000087607948 179453681 /nfs/dbraw/zinc/45/36/81/179453681.db2.gz IESFWXPSIMKFJR-UHFFFAOYSA-N 2 0 285.501 2.353 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000104188876 185921516 /nfs/dbraw/zinc/92/15/16/185921516.db2.gz AXHDEVYDTFXLKH-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000090566000 180005435 /nfs/dbraw/zinc/00/54/35/180005435.db2.gz FRBKQGDKZHTMPP-HZPDHXFCSA-N 2 0 262.397 2.133 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566662 180006219 /nfs/dbraw/zinc/00/62/19/180006219.db2.gz MSOYEZYYJSNWCO-UONOGXRCSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000090567290 180006838 /nfs/dbraw/zinc/00/68/38/180006838.db2.gz ZDCGFNRMMGYZMC-RBSFLKMASA-N 2 0 254.418 2.121 10 0 CEAERP C[C@]1(C[NH+]2CCC3(CCCC3)CC2)COC[C@@H]1[NH3+] ZINC000090621043 180013961 /nfs/dbraw/zinc/01/39/61/180013961.db2.gz GQJQALVHODRUMQ-KBPBESRZSA-N 2 0 252.402 2.006 10 0 CEAERP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)O2 ZINC000090878906 180051974 /nfs/dbraw/zinc/05/19/74/180051974.db2.gz UYQCSMJXPATDPU-BRWVUGGUSA-N 2 0 286.419 2.454 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878935 180052893 /nfs/dbraw/zinc/05/28/93/180052893.db2.gz XFAGXBIRFXFDNF-WBMJQRKESA-N 2 0 292.398 2.449 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879149 180053034 /nfs/dbraw/zinc/05/30/34/180053034.db2.gz CMSOWOUUZAVVBO-CQSZACIVSA-N 2 0 266.360 2.190 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[N@@H+](CCC(N)=[NH2+])C(C)C)O2 ZINC000090898688 180057936 /nfs/dbraw/zinc/05/79/36/180057936.db2.gz HFUDYKZHJMLFIE-AWEZNQCLSA-N 2 0 275.396 2.335 10 0 CEAERP CC[N@H+](C[C@@H](C)C(N)=[NH2+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090898683 180058509 /nfs/dbraw/zinc/05/85/09/180058509.db2.gz HGMABFQFEOEXLU-OCCSQVGLSA-N 2 0 275.396 2.192 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@H]1Cc2cc(Cl)ccc2O1 ZINC000090903304 180060349 /nfs/dbraw/zinc/06/03/49/180060349.db2.gz SETDFYPUWCOALG-CYBMUJFWSA-N 2 0 268.788 2.185 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905999 180061372 /nfs/dbraw/zinc/06/13/72/180061372.db2.gz PQWIRCJGKMXTRG-WQVCFCJDSA-N 2 0 290.407 2.339 10 0 CEAERP CC(C)[C@@H](CC[NH3+])CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908688 180062033 /nfs/dbraw/zinc/06/20/33/180062033.db2.gz IQZBUUCPXHRZFL-KFWWJZLASA-N 2 0 254.418 2.251 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978334 180079089 /nfs/dbraw/zinc/07/90/89/180079089.db2.gz BVGGIQRSDIFBSX-SQWLQELKSA-N 2 0 256.393 2.256 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019652 180087821 /nfs/dbraw/zinc/08/78/21/180087821.db2.gz YTZMDZQYYRCLBP-LLVKDONJSA-N 2 0 258.369 2.122 10 0 CEAERP C(C[N@@H+]1CCC[C@H]1C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000091314037 180134023 /nfs/dbraw/zinc/13/40/23/180134023.db2.gz PDWAZYLSBCDYOA-CABCVRRESA-N 2 0 252.402 2.020 10 0 CEAERP C[NH+](C)CCn1ncc(C[NH2+]C(C)(C)C)c1C(F)(F)F ZINC000091338562 180136651 /nfs/dbraw/zinc/13/66/51/180136651.db2.gz QZEYZELITFKMHO-UHFFFAOYSA-N 2 0 292.349 2.352 10 0 CEAERP CC(C)C[NH2+]Cc1cnn(CC[NH+](C)C)c1C1CC1 ZINC000091338564 180136671 /nfs/dbraw/zinc/13/66/71/180136671.db2.gz PCQKOCDRVCNGQJ-UHFFFAOYSA-N 2 0 264.417 2.068 10 0 CEAERP CN(CCC[NH+](C)C)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362857 180142372 /nfs/dbraw/zinc/14/23/72/180142372.db2.gz HOAJVYNZQABIOP-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C ZINC000091430352 180152871 /nfs/dbraw/zinc/15/28/71/180152871.db2.gz GCSRRGWCSSBLJK-CYBMUJFWSA-N 2 0 296.484 2.482 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091428521 180152972 /nfs/dbraw/zinc/15/29/72/180152972.db2.gz LIUZOVNGKHBLRT-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091431413 180153538 /nfs/dbraw/zinc/15/35/38/180153538.db2.gz HFUCVUHKUQSLNJ-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091434606 180154628 /nfs/dbraw/zinc/15/46/28/180154628.db2.gz HVONQZNHHDEMDA-CQSZACIVSA-N 2 0 292.427 2.228 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449217 180157678 /nfs/dbraw/zinc/15/76/78/180157678.db2.gz MQJJWLDBUVNLSC-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091450318 180158112 /nfs/dbraw/zinc/15/81/12/180158112.db2.gz TZNPXXSKUCFZMB-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)n1ccc(C[N@H+](C)CC2CC([NH3+])C2)n1 ZINC000091472379 180165547 /nfs/dbraw/zinc/16/55/47/180165547.db2.gz ICJBMXJRFWRBAC-PNESKVBLSA-N 2 0 250.390 2.023 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392012 180144760 /nfs/dbraw/zinc/14/47/60/180144760.db2.gz DKQCABSOFJNOQK-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091392478 180144766 /nfs/dbraw/zinc/14/47/66/180144766.db2.gz KMFRLCUWOPEUGR-MELADBBJSA-N 2 0 255.450 2.164 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392224 180144788 /nfs/dbraw/zinc/14/47/88/180144788.db2.gz CUCBKFIJINWIDD-BPUTZDHNSA-N 2 0 261.413 2.101 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393868 180145397 /nfs/dbraw/zinc/14/53/97/180145397.db2.gz XJGRFNPTUKOVFR-DOTOQJQBSA-N 2 0 275.440 2.275 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392829 180145576 /nfs/dbraw/zinc/14/55/76/180145576.db2.gz LURNGUQDRNGSHC-HYVNUMGLSA-N 2 0 275.440 2.409 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000091405037 180147443 /nfs/dbraw/zinc/14/74/43/180147443.db2.gz QAYDKWSAGYIVOU-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)CC1CCOCC1 ZINC000091405183 180147476 /nfs/dbraw/zinc/14/74/76/180147476.db2.gz CYORYHDMXKIKMS-ZDUSSCGKSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH+](CC)[C@](C)(CC)[C@@H](N)Cc1c[nH+]ccc1N ZINC000091573607 180196510 /nfs/dbraw/zinc/19/65/10/180196510.db2.gz PSCIBYYKHQWHAI-LSDHHAIUSA-N 2 0 264.417 2.044 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527978 180180043 /nfs/dbraw/zinc/18/00/43/180180043.db2.gz OSMXUNOFLGENOM-DOTOQJQBSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@@H]([C@H]1CCOC1)C1([NH+](C)C)CCCC1 ZINC000091638273 180212544 /nfs/dbraw/zinc/21/25/44/180212544.db2.gz RAGBTVBSFQYMDV-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@@H](Cc1ccn(C(C)C)n1)[NH2+]C ZINC000091716268 180232479 /nfs/dbraw/zinc/23/24/79/180232479.db2.gz QCVNYYNVKQCXNY-AWEZNQCLSA-N 2 0 266.433 2.326 10 0 CEAERP CC[NH+](CC)CC[C@@H](Cc1csc(C)n1)[NH2+]C ZINC000091716176 180232620 /nfs/dbraw/zinc/23/26/20/180232620.db2.gz WQVDYNRJFFUBPY-LBPRGKRZSA-N 2 0 255.431 2.314 10 0 CEAERP Cc1cc(C)cc(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720829 180235609 /nfs/dbraw/zinc/23/56/09/180235609.db2.gz MDARXSNBLWEMRB-IKGGRYGDSA-N 2 0 274.408 2.036 10 0 CEAERP CCC[N@H+](C[C@@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000091851704 180272834 /nfs/dbraw/zinc/27/28/34/180272834.db2.gz VCLXVIQOJCYGAL-NFOMZHRRSA-N 2 0 254.418 2.395 10 0 CEAERP CCC[N@H+](CC(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091852462 180272971 /nfs/dbraw/zinc/27/29/71/180272971.db2.gz CUJZYPXTKAAIMH-UHFFFAOYSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[N@H+]([C@H]1CCN(C2CC2)C1)C1CCC([NH3+])CC1 ZINC000091851660 180273241 /nfs/dbraw/zinc/27/32/41/180273241.db2.gz RMPQWPDYNQBLSO-BCLQGDPASA-N 2 0 265.445 2.205 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268961 /nfs/dbraw/zinc/26/89/61/180268961.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 3 0 267.461 2.451 10 0 CEAERP C[N@H+](C[C@@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846641 180269868 /nfs/dbraw/zinc/26/98/68/180269868.db2.gz XGMHSKIRKGEARI-UYSNPLJNSA-N 2 0 262.397 2.096 10 0 CEAERP CC[C@@H]1CCCCN1C(=O)C[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850805 180271798 /nfs/dbraw/zinc/27/17/98/180271798.db2.gz OLBGJQWELQKOJS-HWOWSKLDSA-N 2 0 295.471 2.369 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC(=O)NC(C)(C)CC)CC1 ZINC000091870399 180277474 /nfs/dbraw/zinc/27/74/74/180277474.db2.gz MMCPCYPXRLBQTP-UHFFFAOYSA-N 2 0 283.460 2.144 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N2CCCCCCC2)CC1 ZINC000091872856 180278199 /nfs/dbraw/zinc/27/81/99/180278199.db2.gz QEZDCRQOYXOUEY-UHFFFAOYSA-N 2 0 295.471 2.242 10 0 CEAERP CCC[NH+]1CCC(O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091906331 180284279 /nfs/dbraw/zinc/28/42/79/180284279.db2.gz GNQTUOVFYVQHCS-UHFFFAOYSA-N 2 0 254.418 2.133 10 0 CEAERP CC[NH2+]Cc1oc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000092003865 180304239 /nfs/dbraw/zinc/30/42/39/180304239.db2.gz GQRYYQBYQJCXPV-CABCVRRESA-N 2 0 291.439 2.366 10 0 CEAERP C[NH2+]Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Cl ZINC000092003355 180304967 /nfs/dbraw/zinc/30/49/67/180304967.db2.gz LSPPBHWVYHBDPN-NEPJUHHUSA-N 2 0 294.830 2.127 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083016 180319874 /nfs/dbraw/zinc/31/98/74/180319874.db2.gz YGSPZZPTKZDWFV-OWCLPIDISA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCOC1 ZINC000092088663 180321820 /nfs/dbraw/zinc/32/18/20/180321820.db2.gz IKIFEKKNERKFMU-OWCLPIDISA-N 2 0 268.445 2.227 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092090258 180322318 /nfs/dbraw/zinc/32/23/18/180322318.db2.gz DHUWWXRVXHVPKI-KKUMJFAQSA-N 2 0 256.434 2.103 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000092203850 180343759 /nfs/dbraw/zinc/34/37/59/180343759.db2.gz DBCAJMXXJZDLNH-UKRRQHHQSA-N 2 0 285.391 2.124 10 0 CEAERP NC(=[NH2+])C1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092262368 180354620 /nfs/dbraw/zinc/35/46/20/180354620.db2.gz OMYGABWWZLVXBM-ZDUSSCGKSA-N 2 0 275.421 2.351 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CSc3ccccc32)C1 ZINC000092290513 180357652 /nfs/dbraw/zinc/35/76/52/180357652.db2.gz XDIDTKFTWVIZCB-CHWSQXEVSA-N 2 0 262.422 2.417 10 0 CEAERP C[C@H](C[N@H+](C)Cc1ccnc2ccccc12)C(N)=[NH2+] ZINC000092348144 180367511 /nfs/dbraw/zinc/36/75/11/180367511.db2.gz RRMFQPBPOOICFS-LLVKDONJSA-N 2 0 256.353 2.239 10 0 CEAERP CCNc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000092368979 180370106 /nfs/dbraw/zinc/37/01/06/180370106.db2.gz MKDBEFGCBOOIAT-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CNc1cc[nH+]c(CN2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000092419091 180382506 /nfs/dbraw/zinc/38/25/06/180382506.db2.gz ZSJKSFMBVFOFPU-UHFFFAOYSA-N 2 0 288.439 2.431 10 0 CEAERP CCC[NH2+][C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496116 186256387 /nfs/dbraw/zinc/25/63/87/186256387.db2.gz JTGJTWHBOLHNRQ-LLVKDONJSA-N 2 0 254.378 2.015 10 0 CEAERP CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3cnc(C)c3C)ccc21 ZINC000109573179 186263412 /nfs/dbraw/zinc/26/34/12/186263412.db2.gz UTAWKUCBQMCHSD-HNNXBMFYSA-N 2 0 284.363 2.482 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cc(CO)[nH+]c2ccccc21 ZINC000109594732 186265336 /nfs/dbraw/zinc/26/53/36/186265336.db2.gz YGORSBKYTDUSST-AWEZNQCLSA-N 2 0 285.391 2.258 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000109603654 186266721 /nfs/dbraw/zinc/26/67/21/186266721.db2.gz QZIRGRBBJKETMW-FVQBIDKESA-N 2 0 296.455 2.415 10 0 CEAERP CCc1ccc(C[NH+]2CCN([C@@H](CC)C[NH3+])CC2)cc1 ZINC000109460502 186254082 /nfs/dbraw/zinc/25/40/82/186254082.db2.gz UVIRJCQKVQQPQK-KRWDZBQOSA-N 2 0 275.440 2.104 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000109460181 186254240 /nfs/dbraw/zinc/25/42/40/186254240.db2.gz TUHQIQAHDMGHCS-KRWDZBQOSA-N 2 0 289.467 2.467 10 0 CEAERP CCC1(C[N@@H+]2CC[C@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000110371225 186294607 /nfs/dbraw/zinc/29/46/07/186294607.db2.gz CYJYEBVMJZZZFY-INIZCTEOSA-N 2 0 279.472 2.326 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)CC[NH+](C)C ZINC000110629887 186308144 /nfs/dbraw/zinc/30/81/44/186308144.db2.gz AKDPOKCKFJIULO-SECBINFHSA-N 2 0 280.347 2.279 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000110649639 186309410 /nfs/dbraw/zinc/30/94/10/186309410.db2.gz VCOHPRCQBJROMC-NSHDSACASA-N 2 0 258.369 2.122 10 0 CEAERP C[C@H]1CCC[N@H+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000110805299 186326509 /nfs/dbraw/zinc/32/65/09/186326509.db2.gz FVGDFEWUXVMVMC-ZDUSSCGKSA-N 2 0 275.396 2.471 10 0 CEAERP C[C@H]1CN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000110708557 186314438 /nfs/dbraw/zinc/31/44/38/186314438.db2.gz XBKQJDPJESPAIL-KSSFIOAISA-N 2 0 283.419 2.476 10 0 CEAERP CC[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110716871 186315680 /nfs/dbraw/zinc/31/56/80/186315680.db2.gz DBTWQDZYGXFPKY-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H](CCC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716981 186316369 /nfs/dbraw/zinc/31/63/69/186316369.db2.gz KRRDBCNVXRLJJO-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H]1CN(C2(C[NH3+])CCCCCCC2)CC[N@@H+]1C ZINC000110710824 186316414 /nfs/dbraw/zinc/31/64/14/186316414.db2.gz KHYAWJSDIKJCRK-OAHLLOKOSA-N 2 0 267.461 2.454 10 0 CEAERP C[NH2+][C@@H](CCN1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC000110744293 186318645 /nfs/dbraw/zinc/31/86/45/186318645.db2.gz CUIFTVPMUQJUIG-BBRMVZONSA-N 2 0 279.403 2.112 10 0 CEAERP C[NH2+]CC1(CN2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000110747182 186320144 /nfs/dbraw/zinc/32/01/44/186320144.db2.gz BMWRBZGCCWUOCB-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CC[N@H+](C)[C@@H](CC)C2)s1 ZINC000110758680 186320554 /nfs/dbraw/zinc/32/05/54/186320554.db2.gz KOXRYHBMEFIOIU-NEPJUHHUSA-N 2 0 282.457 2.344 10 0 CEAERP CC[C@@H]1CN(Cc2c3ccccc3oc2C[NH3+])CC[N@@H+]1C ZINC000110753587 186321218 /nfs/dbraw/zinc/32/12/18/186321218.db2.gz CFYRIYSUBRVJBQ-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP CC[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@@H+]1C ZINC000110753820 186321383 /nfs/dbraw/zinc/32/13/83/186321383.db2.gz BSGKGFZWEAHTAL-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000111133340 186356836 /nfs/dbraw/zinc/35/68/36/186356836.db2.gz UBPXFSCPQRKCMU-HOCLYGCPSA-N 2 0 269.477 2.414 10 0 CEAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111136583 186357276 /nfs/dbraw/zinc/35/72/76/186357276.db2.gz LQCVYMMEAWBUQR-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000111135332 186357319 /nfs/dbraw/zinc/35/73/19/186357319.db2.gz XDVWFHJDJUXEEZ-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CN(CCC[NH+](C)C)c1nc(C[NH3+])cc2ccccc21 ZINC000111149274 186359352 /nfs/dbraw/zinc/35/93/52/186359352.db2.gz MNGJSURUQQDKPU-UHFFFAOYSA-N 2 0 272.396 2.081 10 0 CEAERP CCC[C@@](C)(C[NH2+]C(C)C)CN(C)CC[NH+](C)C ZINC000111147304 186359634 /nfs/dbraw/zinc/35/96/34/186359634.db2.gz MLIQTUXKVWYHLW-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]CCN(C)CCC[NH+](C)C)C1 ZINC000111150847 186359732 /nfs/dbraw/zinc/35/97/32/186359732.db2.gz BGBLJERJMSJMSD-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]Cc1coc(CN(C)CC[NH+](C)C)c1 ZINC000111149597 186359803 /nfs/dbraw/zinc/35/98/03/186359803.db2.gz OSLHTLAFUSWZOI-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1CN(C)CCC[NH+](C)C ZINC000111150512 186360023 /nfs/dbraw/zinc/36/00/23/186360023.db2.gz SJJHCVKAPNUKIY-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)[N@H+](C)CC1CCOCC1 ZINC000111175837 186365439 /nfs/dbraw/zinc/36/54/39/186365439.db2.gz MHSFCVMANRJUED-HNNXBMFYSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](C)C2CCCCC2)CCCOC1 ZINC000111324310 186397046 /nfs/dbraw/zinc/39/70/46/186397046.db2.gz ABEWWWVGWIPUHI-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2CC[C@@H](C)C2)CCCOC1 ZINC000111326136 186398424 /nfs/dbraw/zinc/39/84/24/186398424.db2.gz UCJQDJJGKXUNMM-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000111265524 186381404 /nfs/dbraw/zinc/38/14/04/186381404.db2.gz TULZZAQDOMDQAY-XJKSGUPXSA-N 2 0 287.407 2.076 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCO1 ZINC000093515906 539851897 /nfs/dbraw/zinc/85/18/97/539851897.db2.gz BXNKGKQEEUSVIH-ILXRZTDVSA-N 2 0 254.418 2.456 10 0 CEAERP [NH3+]CCC1([NH3+])CN(C(c2ccccc2)c2ccccc2)C1 ZINC000675058255 540078547 /nfs/dbraw/zinc/07/85/47/540078547.db2.gz XXUFMPZRQNBIBI-UHFFFAOYSA-N 2 0 281.403 2.138 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000575438883 366288136 /nfs/dbraw/zinc/28/81/36/366288136.db2.gz FEHZKNUEFSJCIR-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151280759 366636066 /nfs/dbraw/zinc/63/60/66/366636066.db2.gz WKJOALNNKRORAT-UWWQBHOKSA-N 2 0 288.435 2.356 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000081292766 363710123 /nfs/dbraw/zinc/71/01/23/363710123.db2.gz UXPUWPRWZKOKES-MRXNPFEDSA-N 2 0 297.487 2.199 10 0 CEAERP CC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773201 364064023 /nfs/dbraw/zinc/06/40/23/364064023.db2.gz ZOURISGOAMDNJI-BRWVUGGUSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091392 364338136 /nfs/dbraw/zinc/33/81/36/364338136.db2.gz BEJKLPBYVVOBGV-SJORKVTESA-N 2 0 276.424 2.259 10 0 CEAERP c1n[nH]cc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680145309 541371723 /nfs/dbraw/zinc/37/17/23/541371723.db2.gz NUFJRHYRQLGBAE-KSZLIROESA-N 2 0 296.418 2.410 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000114176044 364928567 /nfs/dbraw/zinc/92/85/67/364928567.db2.gz JZBVMNGJIQEELE-HOTGVXAUSA-N 2 0 297.487 2.343 10 0 CEAERP COc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583982022 367124159 /nfs/dbraw/zinc/12/41/59/367124159.db2.gz FKLJIOJJRCMTTP-DZGCQCFKSA-N 2 0 262.397 2.215 10 0 CEAERP CCC[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161756091 367110573 /nfs/dbraw/zinc/11/05/73/367110573.db2.gz HKTKXAQOZPEDQP-XUWVNRHRSA-N 2 0 297.487 2.199 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631838520 367578266 /nfs/dbraw/zinc/57/82/66/367578266.db2.gz PTIOMTIZLHDJPX-NWDGAFQWSA-N 2 0 295.814 2.195 10 0 CEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246541729 370975091 /nfs/dbraw/zinc/97/50/91/370975091.db2.gz SJWCYIMAOIUFED-OWCLPIDISA-N 2 0 295.471 2.132 10 0 CEAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000248730167 371239612 /nfs/dbraw/zinc/23/96/12/371239612.db2.gz MLMVWFSMCTVGJE-CABCVRRESA-N 2 0 299.418 2.435 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601252 371672976 /nfs/dbraw/zinc/67/29/76/371672976.db2.gz BSCSHSJNURZPPY-BHYGNILZSA-N 2 0 282.391 2.041 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662490 371695908 /nfs/dbraw/zinc/69/59/08/371695908.db2.gz FFOBKGVELHJXLS-WCFLWFBJSA-N 2 0 273.336 2.104 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000261932014 371775217 /nfs/dbraw/zinc/77/52/17/371775217.db2.gz LQTXVNCDICMHQZ-RRFJBIMHSA-N 2 0 282.428 2.088 10 0 CEAERP CC(C)OC1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000643475796 373144154 /nfs/dbraw/zinc/14/41/54/373144154.db2.gz LZOJHNDANYGMNV-LMRVLLHPSA-N 2 0 254.418 2.310 10 0 CEAERP [NH3+][C@H]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000093205202 184654982 /nfs/dbraw/zinc/65/49/82/184654982.db2.gz UFSVRJSMZZLXNI-RDJZCZTQSA-N 2 0 273.424 2.120 10 0 CEAERP [NH3+]CC1CCC(C[NH2+]CCc2cscn2)CC1 ZINC000093426442 184674163 /nfs/dbraw/zinc/67/41/63/184674163.db2.gz PVOFFGJYALXGGG-UHFFFAOYSA-N 2 0 253.415 2.040 10 0 CEAERP C[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[NH+](CC(C)C)CC(C)C ZINC000093589814 184694358 /nfs/dbraw/zinc/69/43/58/184694358.db2.gz IZQHEJLAWMBERB-DOTOQJQBSA-N 2 0 297.487 2.234 10 0 CEAERP CC(C)(C[NH2+]C1CC1)COCC[NH+]1CCCCC1 ZINC000093720098 184710086 /nfs/dbraw/zinc/71/00/86/184710086.db2.gz AGVGTWRWNSGNIF-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP C[N@H+](CC1CC([NH3+])C1)[C@@H]1CCOC2(CCSCC2)C1 ZINC000094413544 184794663 /nfs/dbraw/zinc/79/46/63/184794663.db2.gz IBNPMRZXCHWGLL-JXQTWKCFSA-N 2 0 284.469 2.100 10 0 CEAERP CC(C)[NH2+]Cc1ccc(COCCC[NH+](C)C)nc1 ZINC000094760894 184855230 /nfs/dbraw/zinc/85/52/30/184855230.db2.gz JZNWFMKGEWSDAN-UHFFFAOYSA-N 2 0 265.401 2.048 10 0 CEAERP CC[NH2+][C@@H](CSCC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000095021324 184916978 /nfs/dbraw/zinc/91/69/78/184916978.db2.gz WDJIQWGIOKSJBM-ZDUSSCGKSA-N 2 0 296.436 2.361 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000086817590 135048533 /nfs/dbraw/zinc/04/85/33/135048533.db2.gz YSVIIPHZROGNQM-OAHLLOKOSA-N 2 0 288.439 2.124 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091429187 135069851 /nfs/dbraw/zinc/06/98/51/135069851.db2.gz JZDMUGWWTVYMOK-OAHLLOKOSA-N 2 0 261.413 2.027 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3C=C[C@H]([NH3+])C3)CC2)c1 ZINC000092208895 135075894 /nfs/dbraw/zinc/07/58/94/135075894.db2.gz BXLJSODLCJFMKR-HOTGVXAUSA-N 2 0 271.408 2.020 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208942 135076121 /nfs/dbraw/zinc/07/61/21/135076121.db2.gz NKBXZUWZFNLXHU-UONOGXRCSA-N 2 0 291.826 2.365 10 0 CEAERP C[C@@H](C[NH3+])[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000093068726 135078986 /nfs/dbraw/zinc/07/89/86/135078986.db2.gz CYYJBZRTYGTBAZ-STQMWFEESA-N 2 0 281.831 2.445 10 0 CEAERP FC(F)(F)C[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262043121 394612324 /nfs/dbraw/zinc/61/23/24/394612324.db2.gz YQEWIFZMLJTUCV-WDEREUQCSA-N 2 0 250.308 2.260 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCC([NH3+])CC1 ZINC000037812263 400120084 /nfs/dbraw/zinc/12/00/84/400120084.db2.gz QEBKOZQZLSFZCU-UHFFFAOYSA-N 2 0 297.487 2.330 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000389248499 400537237 /nfs/dbraw/zinc/53/72/37/400537237.db2.gz CTRKQIDSKPPDDP-OAGGEKHMSA-N 2 0 268.445 2.392 10 0 CEAERP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH2+]C)cc1)C(C)C ZINC000261838091 153851988 /nfs/dbraw/zinc/85/19/88/153851988.db2.gz WAWUYCBPBMNXIW-CQSZACIVSA-N 2 0 291.439 2.255 10 0 CEAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000165833986 162348038 /nfs/dbraw/zinc/34/80/38/162348038.db2.gz UNNGOGCYXHREHH-LSDHHAIUSA-N 2 0 283.460 2.132 10 0 CEAERP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178976930 165267415 /nfs/dbraw/zinc/26/74/15/165267415.db2.gz UPWUWRHFEGNYCQ-RBZFPXEDSA-N 2 0 294.464 2.416 10 0 CEAERP C[NH+]1CCN(C2(C[NH3+])CCC(C(C)(C)C)CC2)CC1 ZINC000019518173 170823893 /nfs/dbraw/zinc/82/38/93/170823893.db2.gz LUVFPJQBOCUGHX-UHFFFAOYSA-N 2 0 267.461 2.168 10 0 CEAERP COc1ccc([C@@H](CC[NH3+])[NH+]2CCCC2)cc1OC ZINC000019673590 170836523 /nfs/dbraw/zinc/83/65/23/170836523.db2.gz ITUBNCNCVDEQSG-CYBMUJFWSA-N 2 0 264.369 2.190 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccncc1 ZINC000020128586 171015310 /nfs/dbraw/zinc/01/53/10/171015310.db2.gz BTZKUXNLOGHOSM-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1 ZINC000020179490 171044086 /nfs/dbraw/zinc/04/40/86/171044086.db2.gz YYHYMVOKUHZCOI-KRWDZBQOSA-N 2 0 273.424 2.022 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000020179451 171044558 /nfs/dbraw/zinc/04/45/58/171044558.db2.gz HZZDPRMRRNGREK-KRWDZBQOSA-N 2 0 273.424 2.022 10 0 CEAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc2ccccc2c1 ZINC000020401639 171182173 /nfs/dbraw/zinc/18/21/73/171182173.db2.gz KNNNUDUNUPASKT-OAHLLOKOSA-N 2 0 258.365 2.498 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000022171358 171368225 /nfs/dbraw/zinc/36/82/25/171368225.db2.gz QQVSWBGWKATTBR-BFHYXJOUSA-N 2 0 277.412 2.040 10 0 CEAERP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000022175748 171370381 /nfs/dbraw/zinc/37/03/81/171370381.db2.gz MMQXBSSOBMLARP-NWANDNLSSA-N 2 0 291.439 2.429 10 0 CEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037265703 173075001 /nfs/dbraw/zinc/07/50/01/173075001.db2.gz NIASVWZGWCIHGT-UMVBOHGHSA-N 2 0 254.418 2.251 10 0 CEAERP CC[N@H+](CCOc1cccc(C)c1)C1CC[NH2+]CC1 ZINC000037538499 173259001 /nfs/dbraw/zinc/25/90/01/173259001.db2.gz QOQYOLNTPLNZIR-UHFFFAOYSA-N 2 0 262.397 2.448 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000040509812 174304181 /nfs/dbraw/zinc/30/41/81/174304181.db2.gz DPIVPUTXYAVXMA-ZDUSSCGKSA-N 2 0 263.385 2.020 10 0 CEAERP C[C@@H](CC(N)=S)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694054 174377710 /nfs/dbraw/zinc/37/77/10/174377710.db2.gz LVUBOFFZCOGAIN-LBPRGKRZSA-N 2 0 269.458 2.001 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000042615841 174828700 /nfs/dbraw/zinc/82/87/00/174828700.db2.gz YBPJPGIPEXOLGA-INIZCTEOSA-N 2 0 279.403 2.242 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000042615714 174828822 /nfs/dbraw/zinc/82/88/22/174828822.db2.gz CJNNLHWEPXJHSC-MRXNPFEDSA-N 2 0 261.413 2.103 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000042689505 174837288 /nfs/dbraw/zinc/83/72/88/174837288.db2.gz WEJXXDIMGUSOBG-ZOBUZTSGSA-N 2 0 279.472 2.323 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[NH+](CC3CC3)CC2)o1 ZINC000043364841 175025306 /nfs/dbraw/zinc/02/53/06/175025306.db2.gz PXVMSDPFODKWJQ-BBRMVZONSA-N 2 0 277.412 2.004 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](CC2CC2)CC1 ZINC000043364845 175025452 /nfs/dbraw/zinc/02/54/52/175025452.db2.gz JIYCWECETZMUAW-NVXWUHKLSA-N 2 0 291.439 2.394 10 0 CEAERP CCC[NH+]1CCN([C@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805285 175107467 /nfs/dbraw/zinc/10/74/67/175107467.db2.gz VZQDHQGKIMGKNC-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000043810480 175109791 /nfs/dbraw/zinc/10/97/91/175109791.db2.gz FCUPMZSFFYOBTP-QGZVFWFLSA-N 2 0 289.467 2.492 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815265 175112168 /nfs/dbraw/zinc/11/21/68/175112168.db2.gz YLQUCCQMXWAAPQ-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818425 175112953 /nfs/dbraw/zinc/11/29/53/175112953.db2.gz RWVSFYITABCJKN-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897193 175120143 /nfs/dbraw/zinc/12/01/43/175120143.db2.gz IJNPSYUXCVISCI-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897567 175120640 /nfs/dbraw/zinc/12/06/40/175120640.db2.gz QSTXDZGLZUIQCQ-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967694 175129061 /nfs/dbraw/zinc/12/90/61/175129061.db2.gz NDJQJFWLALGBQT-IRXDYDNUSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967682 175129212 /nfs/dbraw/zinc/12/92/12/175129212.db2.gz ZEXPHABWMASMSN-JKSUJKDBSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967712 175129334 /nfs/dbraw/zinc/12/93/34/175129334.db2.gz CAXAZZAPZZSVEL-ZWKOTPCHSA-N 2 0 285.435 2.042 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970783 175131846 /nfs/dbraw/zinc/13/18/46/175131846.db2.gz FSPDNYNUPAMVJV-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1C[NH3+])[N@H+](C)CC(C)(C)C ZINC000045068459 175300348 /nfs/dbraw/zinc/30/03/48/175300348.db2.gz JSCMFFNIURGUBH-GFCCVEGCSA-N 2 0 277.412 2.450 10 0 CEAERP CCCNC(=O)CC[NH2+][C@@H](C)C1CC[NH+](CCC)CC1 ZINC000045072526 175301907 /nfs/dbraw/zinc/30/19/07/175301907.db2.gz CAEZVMNGEOFSPM-AWEZNQCLSA-N 2 0 283.460 2.003 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371635 175364346 /nfs/dbraw/zinc/36/43/46/175364346.db2.gz WRBBOTJUJZSGMV-MRXNPFEDSA-N 2 0 283.460 2.276 10 0 CEAERP CC[N@H+](CCC[C@@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372388 175364695 /nfs/dbraw/zinc/36/46/95/175364695.db2.gz CXURPXDDXVZIPJ-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383695 175371088 /nfs/dbraw/zinc/37/10/88/175371088.db2.gz SMHNIHYKXHUYFM-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390660 175374646 /nfs/dbraw/zinc/37/46/46/175374646.db2.gz BZBYWEDNNUHFJL-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071044421 176029977 /nfs/dbraw/zinc/02/99/77/176029977.db2.gz DASYRNPSUDRLRW-CXAGYDPISA-N 2 0 274.408 2.360 10 0 CEAERP CC[C@@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147713 176044069 /nfs/dbraw/zinc/04/40/69/176044069.db2.gz UZNVZRSTSUXLAJ-HUUCEWRRSA-N 2 0 267.461 2.310 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCCc2ccccc21 ZINC000071148512 176044154 /nfs/dbraw/zinc/04/41/54/176044154.db2.gz VREZZTGXKPUFJZ-SFHVURJKSA-N 2 0 287.451 2.291 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)CCC[NH+](C)C ZINC000071162280 176046799 /nfs/dbraw/zinc/04/67/99/176046799.db2.gz CWRIEGUQTZMPAG-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000071187922 176061251 /nfs/dbraw/zinc/06/12/51/176061251.db2.gz AVRHNXJTGVMNMB-QWRGUYRKSA-N 2 0 287.860 2.285 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000071187940 176062051 /nfs/dbraw/zinc/06/20/51/176062051.db2.gz DURMEROFAILKOS-WFASDCNBSA-N 2 0 281.831 2.223 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000071188326 176062927 /nfs/dbraw/zinc/06/29/27/176062927.db2.gz MATVTRDVYFBDEZ-UKRRQHHQSA-N 2 0 281.469 2.248 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188871 176063278 /nfs/dbraw/zinc/06/32/78/176063278.db2.gz PXVQIFMVLGKBSH-KFWWJZLASA-N 2 0 255.450 2.037 10 0 CEAERP CCC(CC)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191444 176069246 /nfs/dbraw/zinc/06/92/46/176069246.db2.gz KTUVWURFDOGBNH-OAHLLOKOSA-N 2 0 281.488 2.428 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071191411 176070245 /nfs/dbraw/zinc/07/02/45/176070245.db2.gz VDEUPUQLDSMKKK-WBVHZDCISA-N 2 0 275.440 2.268 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191726 176072689 /nfs/dbraw/zinc/07/26/89/176072689.db2.gz GUVPYZMYAUSWCC-MRXNPFEDSA-N 2 0 290.455 2.215 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191965 176072766 /nfs/dbraw/zinc/07/27/66/176072766.db2.gz JTYCSHNGTBXSOO-HNNXBMFYSA-N 2 0 293.455 2.409 10 0 CEAERP CCC[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000071192013 176072781 /nfs/dbraw/zinc/07/27/81/176072781.db2.gz JQXBTXHAGYLAGG-ZDUSSCGKSA-N 2 0 296.484 2.026 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192195 176073201 /nfs/dbraw/zinc/07/32/01/176073201.db2.gz CBTAYQFOUPZXJM-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000071192594 176074732 /nfs/dbraw/zinc/07/47/32/176074732.db2.gz PFGUZSUEAURECF-NSHDSACASA-N 2 0 296.484 2.287 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCN1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071198144 176077314 /nfs/dbraw/zinc/07/73/14/176077314.db2.gz DAMUJNZFZZQYCL-RDJZCZTQSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200517 176077469 /nfs/dbraw/zinc/07/74/69/176077469.db2.gz QMHHHWSOJAVZRQ-JKSUJKDBSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N1CC[C@H]([NH2+]C(C)C)C1 ZINC000071200580 176077811 /nfs/dbraw/zinc/07/78/11/176077811.db2.gz PYZNVUGDBMVCRG-LSDHHAIUSA-N 2 0 255.450 2.035 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263698 176096796 /nfs/dbraw/zinc/09/67/96/176096796.db2.gz UKPRCXXSCCTPCP-INIZCTEOSA-N 2 0 279.403 2.201 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267892 176101852 /nfs/dbraw/zinc/10/18/52/176101852.db2.gz OOPWVGMDMLJULN-LLVKDONJSA-N 2 0 281.375 2.357 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268893 176102184 /nfs/dbraw/zinc/10/21/84/176102184.db2.gz JARGIYQPOJDAPT-NSHDSACASA-N 2 0 261.344 2.451 10 0 CEAERP CCN1CCC([N@H+](C)CCCCCC[NH2+]C)CC1 ZINC000071289349 176110737 /nfs/dbraw/zinc/11/07/37/176110737.db2.gz VSKRYBYRMWEMQF-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290058 176110769 /nfs/dbraw/zinc/11/07/69/176110769.db2.gz CTECDLGAXAIACL-INIZCTEOSA-N 3 0 269.477 2.428 10 0 CEAERP C[C@@H](CNC1=[NH+]C[C@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308123 176116365 /nfs/dbraw/zinc/11/63/65/176116365.db2.gz MUBWGCPTFVTNJV-WCQYABFASA-N 2 0 267.442 2.189 10 0 CEAERP CCN([C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071312262 176118862 /nfs/dbraw/zinc/11/88/62/176118862.db2.gz YLPRLJVWQLQDST-ZWKOTPCHSA-N 2 0 287.451 2.335 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431697 279133872 /nfs/dbraw/zinc/13/38/72/279133872.db2.gz SCRXJASFXNLERZ-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000246594127 280302656 /nfs/dbraw/zinc/30/26/56/280302656.db2.gz ZOURISGOAMDNJI-GVDBMIGSSA-N 3 0 281.488 2.427 10 0 CEAERP CC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249393712 280395486 /nfs/dbraw/zinc/39/54/86/280395486.db2.gz RIYMBXMIWBPCFY-DZKIICNBSA-N 2 0 268.445 2.390 10 0 CEAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730170 281169699 /nfs/dbraw/zinc/16/96/99/281169699.db2.gz MLMVWFSMCTVGJE-GJZGRUSLSA-N 2 0 299.418 2.435 10 0 CEAERP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568748953 313975859 /nfs/dbraw/zinc/97/58/59/313975859.db2.gz PRYZCIQFPRRLLS-CWRNSKLLSA-N 2 0 268.445 2.295 10 0 CEAERP CC(C)C[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181367 519709105 /nfs/dbraw/zinc/70/91/05/519709105.db2.gz OGHVZXMGTPMNBH-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]CCCCC[NH+]1CCN(C(C)C)CC1 ZINC000052480104 519720720 /nfs/dbraw/zinc/72/07/20/519720720.db2.gz KJEMNAARGLTAGF-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055081994 519726094 /nfs/dbraw/zinc/72/60/94/519726094.db2.gz IXQCAUSIQCBKJF-AWEZNQCLSA-N 2 0 255.450 2.024 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074833 519929116 /nfs/dbraw/zinc/92/91/16/519929116.db2.gz RKVMGVQJAKGBPO-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@H](CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000069074561 520007041 /nfs/dbraw/zinc/00/70/41/520007041.db2.gz NKPIWTMMNBCMPJ-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061643732 520009334 /nfs/dbraw/zinc/00/93/34/520009334.db2.gz UBJLGIGQVNWRHG-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)[C@H](C)CC(C)C)CCOCC1 ZINC000052197697 521969169 /nfs/dbraw/zinc/96/91/69/521969169.db2.gz VXCRNPCURSVQTQ-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055063651 522132663 /nfs/dbraw/zinc/13/26/63/522132663.db2.gz CLZQVZCDGXNQEP-TZMCWYRMSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063984 522132738 /nfs/dbraw/zinc/13/27/38/522132738.db2.gz ADYPYGYCJFHNGZ-MGPQQGTHSA-N 2 0 255.450 2.164 10 0 CEAERP C(C[C@H]1CCC[NH2+]1)CN1CC[NH+](C2CCCC2)CC1 ZINC000052764755 518395650 /nfs/dbraw/zinc/39/56/50/518395650.db2.gz YOUQSDZPVBBJDI-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP C1C[NH2+][C@H]([C@H]2CCC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590658 518580526 /nfs/dbraw/zinc/58/05/26/518580526.db2.gz KVAOPPYOWDZIGK-MJBXVCDLSA-N 2 0 254.443 2.346 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000048946327 518711523 /nfs/dbraw/zinc/71/15/23/518711523.db2.gz RETRRMTUAVVFIP-UHFFFAOYSA-N 2 0 290.411 2.093 10 0 CEAERP CC(C)(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763381 519266832 /nfs/dbraw/zinc/26/68/32/519266832.db2.gz IGCBOXUHYHMDPI-CQSZACIVSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCN(C)C ZINC000050953841 519715090 /nfs/dbraw/zinc/71/50/90/519715090.db2.gz MOQQBZUPGRTPJS-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483153 519725679 /nfs/dbraw/zinc/72/56/79/519725679.db2.gz BMFHVEZWPGTORS-IAGOWNOFSA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083679 519726705 /nfs/dbraw/zinc/72/67/05/519726705.db2.gz WVTDQTYECKMPNO-IKGGRYGDSA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055078894 519727633 /nfs/dbraw/zinc/72/76/33/519727633.db2.gz AHDIIXOERVOXAN-MSOLQXFVSA-N 2 0 287.451 2.275 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN(C)C1CC[NH+](C)CC1 ZINC000052419816 519728008 /nfs/dbraw/zinc/72/80/08/519728008.db2.gz UCKWIXPCUNOAQM-UHFFFAOYSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055082928 519728159 /nfs/dbraw/zinc/72/81/59/519728159.db2.gz MZSALWYVDZAQCP-MRXNPFEDSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000055077317 519728474 /nfs/dbraw/zinc/72/84/74/519728474.db2.gz JYHDYSIWXXGGEG-HIFRSBDPSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421311 519745435 /nfs/dbraw/zinc/74/54/35/519745435.db2.gz OIMUDGPLAMSNQI-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CCCC1CC[NH+](Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658393 519902287 /nfs/dbraw/zinc/90/22/87/519902287.db2.gz VNHDSQVQPSBELI-UHFFFAOYSA-N 2 0 260.385 2.378 10 0 CEAERP CCCC1CC[NH+]([C@@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000050893525 519903562 /nfs/dbraw/zinc/90/35/62/519903562.db2.gz PHPNMDIOODJXRH-LSDHHAIUSA-N 2 0 282.428 2.121 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182184 519911295 /nfs/dbraw/zinc/91/12/95/519911295.db2.gz UZMIAGBZGNGTMJ-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@H+](CCC)CCN(C)C ZINC000052544234 519913162 /nfs/dbraw/zinc/91/31/62/519913162.db2.gz MZRDXRNBHDFQPB-HNNXBMFYSA-N 2 0 257.466 2.428 10 0 CEAERP CC[NH2+]CCC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000061298718 519916828 /nfs/dbraw/zinc/91/68/28/519916828.db2.gz GMHVYYZIFOROOX-UHFFFAOYSA-N 2 0 291.439 2.144 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074846 519918824 /nfs/dbraw/zinc/91/88/24/519918824.db2.gz TZRZAYRFJRNWDQ-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573186 519919058 /nfs/dbraw/zinc/91/90/58/519919058.db2.gz MALKNGYGFGQCNT-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]CC[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484244 519927830 /nfs/dbraw/zinc/92/78/30/519927830.db2.gz SYDIQKYNKBSHSM-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]C[C@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000052503278 519931379 /nfs/dbraw/zinc/93/13/79/519931379.db2.gz JLSXCQPHGHNMGP-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)CC)on1 ZINC000052547324 519943876 /nfs/dbraw/zinc/94/38/76/519943876.db2.gz WSCVNMRJRYFBNE-CYBMUJFWSA-N 2 0 283.416 2.421 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420849 519956174 /nfs/dbraw/zinc/95/61/74/519956174.db2.gz NUOZOWKPEFXAQE-LJISPDSOSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)c(C)o1 ZINC000061654529 519986609 /nfs/dbraw/zinc/98/66/09/519986609.db2.gz HMLZLMGTLXHHQJ-OAHLLOKOSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572449 520006158 /nfs/dbraw/zinc/00/61/58/520006158.db2.gz ZNPMMXQMRJEMFJ-HNNXBMFYSA-N 2 0 294.439 2.279 10 0 CEAERP CC[NH2+]Cc1oc(COCCC[NH+](C)C)cc1C ZINC000052672757 520026728 /nfs/dbraw/zinc/02/67/28/520026728.db2.gz NYQLDVZMTDZPOZ-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+]1CCCC1)C(C)(C)C ZINC000063051699 520097478 /nfs/dbraw/zinc/09/74/78/520097478.db2.gz OOJRLXBTMNIFFE-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000069052137 520162067 /nfs/dbraw/zinc/16/20/67/520162067.db2.gz UXQCAGAJDVWILC-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@@H+]1CC[C@H](O)C1 ZINC000061712051 520209998 /nfs/dbraw/zinc/20/99/98/520209998.db2.gz LAOSFXSHRZEWPN-BPUTZDHNSA-N 2 0 262.397 2.040 10 0 CEAERP CCCO[C@H]1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764495 520285581 /nfs/dbraw/zinc/28/55/81/520285581.db2.gz JVRGWNIOLZVUQN-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)C[NH2+]CC)CC1 ZINC000061266045 520400143 /nfs/dbraw/zinc/40/01/43/520400143.db2.gz RYLKDFODONEJMB-OAHLLOKOSA-N 2 0 297.487 2.203 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC000062852260 520632696 /nfs/dbraw/zinc/63/26/96/520632696.db2.gz DTNLFFFCPXSSHI-RDJZCZTQSA-N 2 0 297.487 2.393 10 0 CEAERP CC[NH+](CC)CCOc1ccc2c(c1)OC[C@H]2[NH2+]C ZINC000062804512 520698814 /nfs/dbraw/zinc/69/88/14/520698814.db2.gz JPBYBXOXDIPXMB-CQSZACIVSA-N 2 0 264.369 2.060 10 0 CEAERP CC[NH+](CC)CCn1ccnc1C[NH2+]C(C)(C)C ZINC000051015523 520713207 /nfs/dbraw/zinc/71/32/07/520713207.db2.gz GSYMUZLBWQCDCY-UHFFFAOYSA-N 2 0 252.406 2.113 10 0 CEAERP CC[NH+](CC)C[C@@H](C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602672 520714757 /nfs/dbraw/zinc/71/47/57/520714757.db2.gz KUXXYZNOFDXQQB-FFHGMXDLSA-N 2 0 253.434 2.061 10 0 CEAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643452 520828951 /nfs/dbraw/zinc/82/89/51/520828951.db2.gz NRPMUHVPTBLTQJ-KLHDSHLOSA-N 2 0 267.461 2.309 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000069379413 521256137 /nfs/dbraw/zinc/25/61/37/521256137.db2.gz FTLJJHSQWVNRBZ-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@H](C)COC ZINC000052504852 521290913 /nfs/dbraw/zinc/29/09/13/521290913.db2.gz WQFDDCYSBXHTBQ-GFCCVEGCSA-N 2 0 283.416 2.420 10 0 CEAERP CCC(CC)(C[NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062970631 521426526 /nfs/dbraw/zinc/42/65/26/521426526.db2.gz OMLRTUZUISWZEN-HNNXBMFYSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000052883580 521565473 /nfs/dbraw/zinc/56/54/73/521565473.db2.gz OWTLXWMDUOWCJJ-KRWDZBQOSA-N 2 0 275.440 2.277 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049553835 521585190 /nfs/dbraw/zinc/58/51/90/521585190.db2.gz YZZAHSGWWSZPAN-KBPBESRZSA-N 3 0 255.450 2.037 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000164394133 521617125 /nfs/dbraw/zinc/61/71/25/521617125.db2.gz CUFCEBQSSHCXCJ-HOTGVXAUSA-N 2 0 295.471 2.145 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@H]1CCCC[C@@H]1[NH2+]C ZINC000053859196 521656514 /nfs/dbraw/zinc/65/65/14/521656514.db2.gz QQOUDPCAQNSGGW-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C[C@@H]1C ZINC000069182922 521701091 /nfs/dbraw/zinc/70/10/91/521701091.db2.gz OCNAVFWJDQMVRV-JTQLQIEISA-N 2 0 280.441 2.010 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1cc(C[NH2+]C2CC2)co1 ZINC000061654626 521868895 /nfs/dbraw/zinc/86/88/95/521868895.db2.gz TTZLCXGAPRXIQQ-OAHLLOKOSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252852 521934784 /nfs/dbraw/zinc/93/47/84/521934784.db2.gz XIIGVUNHJVXVAM-CQSZACIVSA-N 2 0 287.407 2.076 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000052180958 521967283 /nfs/dbraw/zinc/96/72/83/521967283.db2.gz XIZZRYNZFLRYMP-UHFFFAOYSA-N 2 0 262.397 2.135 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485031 522058951 /nfs/dbraw/zinc/05/89/51/522058951.db2.gz XWFFBXDSHJUMJM-LSDHHAIUSA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345449 522093261 /nfs/dbraw/zinc/09/32/61/522093261.db2.gz FCZUBNDSZNNLGN-CVSAEHQPSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424731 522094054 /nfs/dbraw/zinc/09/40/54/522094054.db2.gz JLABSJFEFNPURD-CVEARBPZSA-N 2 0 262.397 2.194 10 0 CEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)C1 ZINC000062964596 522105450 /nfs/dbraw/zinc/10/54/50/522105450.db2.gz JBPIHUWOHVNEGT-FZMZJTMJSA-N 2 0 285.794 2.115 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055064744 522119729 /nfs/dbraw/zinc/11/97/29/522119729.db2.gz QMCPHJFQBVJRDT-HWOWSKLDSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054903653 522342941 /nfs/dbraw/zinc/34/29/41/522342941.db2.gz HOPJNEGQHJBLAS-NSHDSACASA-N 2 0 282.457 2.262 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC000070321582 522441032 /nfs/dbraw/zinc/44/10/32/522441032.db2.gz DQUBFZZGVIQOSP-YUELXQCFSA-N 2 0 254.418 2.264 10 0 CEAERP COC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455439 522704396 /nfs/dbraw/zinc/70/43/96/522704396.db2.gz FLOMHAIRHWRYTA-HUUCEWRRSA-N 2 0 284.444 2.033 10 0 CEAERP C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052541071 523055746 /nfs/dbraw/zinc/05/57/46/523055746.db2.gz VWYBQNJDYFKQLU-KKUMJFAQSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000062979328 523368674 /nfs/dbraw/zinc/36/86/74/523368674.db2.gz SADSXNDPHCXROP-LTIDMASMSA-N 2 0 279.472 2.323 10 0 CEAERP COCC[N@H+](C)Cc1cc(C)c(C[NH2+]CC(C)C)o1 ZINC000052572997 523619860 /nfs/dbraw/zinc/61/98/60/523619860.db2.gz NPSPPRDNBNBLHW-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@H](C)COC ZINC000052572393 523740566 /nfs/dbraw/zinc/74/05/66/523740566.db2.gz HHDLVKOTYONLGC-CQSZACIVSA-N 2 0 298.427 2.261 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCCCCC[NH3+])CC1 ZINC000055083478 523952588 /nfs/dbraw/zinc/95/25/88/523952588.db2.gz GKQVBHPQHPUQQT-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072028 523955308 /nfs/dbraw/zinc/95/53/08/523955308.db2.gz KAHGDJSKHJDPFT-FUHWJXTLSA-N 2 0 289.467 2.319 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064849 523958225 /nfs/dbraw/zinc/95/82/25/523958225.db2.gz DPMUELFPSOFLGP-WFASDCNBSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065574 523959405 /nfs/dbraw/zinc/95/94/05/523959405.db2.gz GIHIYDUCDUPXFH-JYJNAYRXSA-N 2 0 267.461 2.453 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064828 523959600 /nfs/dbraw/zinc/95/96/00/523959600.db2.gz RYRTUFCUCVWKBG-BLLLJJGKSA-N 2 0 297.393 2.381 10 0 CEAERP COc1ccc(C[N@H+](C)CC2(C[NH3+])CCOCC2)cc1F ZINC000052180401 524002511 /nfs/dbraw/zinc/00/25/11/524002511.db2.gz HEMSBPOTMFQYSR-UHFFFAOYSA-N 2 0 296.386 2.022 10 0 CEAERP C[NH+](C)CCCN1CC(C)(C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062669325 524055662 /nfs/dbraw/zinc/05/56/62/524055662.db2.gz QHDQVUIQRDEION-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1C ZINC000050563660 524218017 /nfs/dbraw/zinc/21/80/17/524218017.db2.gz NZZGONWQZPDYPQ-CHWSQXEVSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H]1CCC[C@@H]([N@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182637 524299951 /nfs/dbraw/zinc/29/99/51/524299951.db2.gz JPQVVSWRCYRLJK-ZIAGYGMSSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515396 524459212 /nfs/dbraw/zinc/45/92/12/524459212.db2.gz GLHURTHIQNPMQD-AWEZNQCLSA-N 3 0 267.461 2.181 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477878 524496403 /nfs/dbraw/zinc/49/64/03/524496403.db2.gz VXLBEFYAHGRHBQ-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049562078 525029118 /nfs/dbraw/zinc/02/91/18/525029118.db2.gz XPEISTXHKGJVTR-VXGBXAGGSA-N 2 0 278.400 2.168 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643509 525364137 /nfs/dbraw/zinc/36/41/37/525364137.db2.gz UVUNYIUQGLRHSY-FRFSOERESA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643528 525765008 /nfs/dbraw/zinc/76/50/08/525765008.db2.gz GQZGBEYLYADJIC-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642067 525873554 /nfs/dbraw/zinc/87/35/54/525873554.db2.gz AYWHMQSAELQLKO-BFHYXJOUSA-N 2 0 281.469 2.471 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642000 525978916 /nfs/dbraw/zinc/97/89/16/525978916.db2.gz OLAODHXWFNBHQI-NFAWXSAZSA-N 2 0 281.469 2.471 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077062 525979999 /nfs/dbraw/zinc/97/99/99/525979999.db2.gz CHMFKXCVMBFUOS-HOCLYGCPSA-N 2 0 279.428 2.250 10 0 CEAERP Cc1oc(CN2CCC([NH+]3CCCCC3)CC2)cc1C[NH3+] ZINC000052484207 526771109 /nfs/dbraw/zinc/77/11/09/526771109.db2.gz URJZHACZLCEBAC-UHFFFAOYSA-N 2 0 291.439 2.497 10 0 CEAERP NC(=[NH2+])c1c(Cl)cccc1N1CC[NH+](CC2CC2)CC1 ZINC000052905532 526818774 /nfs/dbraw/zinc/81/87/74/526818774.db2.gz ZMBYUKDUKOGEQC-UHFFFAOYSA-N 2 0 292.814 2.156 10 0 CEAERP Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1[C@H](C)[NH3+] ZINC000054897110 526963010 /nfs/dbraw/zinc/96/30/10/526963010.db2.gz MLVFQXKZVNYPCD-JTQLQIEISA-N 2 0 282.457 2.249 10 0 CEAERP Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000061655594 526966280 /nfs/dbraw/zinc/96/62/80/526966280.db2.gz PBTXLKPJDOGFQK-ZDUSSCGKSA-N 2 0 294.468 2.234 10 0 CEAERP Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000055076378 526969236 /nfs/dbraw/zinc/96/92/36/526969236.db2.gz YWOYRKCLYBSKQY-LLVKDONJSA-N 2 0 282.457 2.249 10 0 CEAERP [NH3+]Cc1ccc([C@@H](O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000050910518 527257935 /nfs/dbraw/zinc/25/79/35/527257935.db2.gz RHOIKLWNIRZFEW-KRWDZBQOSA-N 2 0 268.360 2.195 10 0 CEAERP [NH3+]Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054896442 527262640 /nfs/dbraw/zinc/26/26/40/527262640.db2.gz JDABPTXYZBSCSP-UHFFFAOYSA-N 2 0 280.441 2.057 10 0 CEAERP [NH3+]Cc1occc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484210 527268382 /nfs/dbraw/zinc/26/83/82/527268382.db2.gz IHLYWKGKRFNTLY-UHFFFAOYSA-N 2 0 277.412 2.189 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000034553530 361791617 /nfs/dbraw/zinc/79/16/17/361791617.db2.gz IKZXCHAAANMMLR-UHFFFAOYSA-N 2 0 267.804 2.201 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644274 361915454 /nfs/dbraw/zinc/91/54/54/361915454.db2.gz YRSCMRMAAXCVQK-AWEZNQCLSA-N 2 0 262.397 2.440 10 0 CEAERP c1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c2c(c1)C[NH2+]CC2 ZINC000124001203 539179641 /nfs/dbraw/zinc/17/96/41/539179641.db2.gz TYGNCEGFCRBGOZ-QGZVFWFLSA-N 2 0 285.435 2.002 10 0 CEAERP C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)[C@@H]1C ZINC000725264160 539212506 /nfs/dbraw/zinc/21/25/06/539212506.db2.gz DVYKWJNVEOSJPA-AAVRWANBSA-N 2 0 252.402 2.003 10 0 CEAERP CCC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)[NH+](C)C ZINC000126338057 365706682 /nfs/dbraw/zinc/70/66/82/365706682.db2.gz GWJVXKCXUGMXKC-OWCLPIDISA-N 2 0 295.471 2.190 10 0 CEAERP Cc1noc(C)c1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000328655397 344758227 /nfs/dbraw/zinc/75/82/27/344758227.db2.gz YIGHGHJZSGATEC-ZDUSSCGKSA-N 2 0 274.368 2.182 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839661 344825098 /nfs/dbraw/zinc/82/50/98/344825098.db2.gz JSQVPIKDTDGGRV-UHOFOFEASA-N 2 0 267.376 2.404 10 0 CEAERP C[C@@H](C[NH3+])CN1CC[NH+](C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000084948135 178932998 /nfs/dbraw/zinc/93/29/98/178932998.db2.gz UPRXPZKDURQSHD-KFWWJZLASA-N 2 0 267.461 2.024 10 0 CEAERP CCC1(C)CC[NH+](CCCC[C@@](C)([NH3+])CO)CC1 ZINC000085212879 178977111 /nfs/dbraw/zinc/97/71/11/178977111.db2.gz JXVSJMYDIRRAAB-OAHLLOKOSA-N 2 0 256.434 2.379 10 0 CEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000085364723 179036111 /nfs/dbraw/zinc/03/61/11/179036111.db2.gz JGKTWKRVXSSTPH-GJZGRUSLSA-N 2 0 287.407 2.348 10 0 CEAERP CC(C)N(C)C(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403743 179052870 /nfs/dbraw/zinc/05/28/70/179052870.db2.gz ASLQGSRYHZMELY-MRXNPFEDSA-N 2 0 295.471 2.097 10 0 CEAERP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000388991229 539539310 /nfs/dbraw/zinc/53/93/10/539539310.db2.gz CFHRZHYNFXGBIV-PMPSAXMXSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)Cc1nc2c(n1CCC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572284 179097747 /nfs/dbraw/zinc/09/77/47/179097747.db2.gz GJKMVTPZRVONMV-UHFFFAOYSA-N 2 0 290.455 2.213 10 0 CEAERP CC[N@@H+]1CCC[C@@H](n2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572796 179098347 /nfs/dbraw/zinc/09/83/47/179098347.db2.gz GZCBLEIYUUTNSS-CYBMUJFWSA-N 2 0 274.412 2.063 10 0 CEAERP CC[N@@H+]1CCC[C@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572790 179098726 /nfs/dbraw/zinc/09/87/26/179098726.db2.gz SCRMBBQXFNQEJD-ZDUSSCGKSA-N 2 0 290.455 2.483 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618876 179103575 /nfs/dbraw/zinc/10/35/75/179103575.db2.gz APFZFYCHXYRLII-NXHRZFHOSA-N 2 0 288.435 2.461 10 0 CEAERP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623747 179107486 /nfs/dbraw/zinc/10/74/86/179107486.db2.gz ULGMVSAUZLESPU-CWRNSKLLSA-N 2 0 266.429 2.408 10 0 CEAERP C[C@@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000336816296 365859154 /nfs/dbraw/zinc/85/91/54/365859154.db2.gz LKVBDYCLLBOQPL-GOEBONIOSA-N 2 0 263.429 2.396 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086171814 179242879 /nfs/dbraw/zinc/24/28/79/179242879.db2.gz RYZZYLFADAFVNL-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C(C)C)CN1 ZINC000086173674 179244301 /nfs/dbraw/zinc/24/43/01/179244301.db2.gz PXNABJGOBWOLQW-IAGOWNOFSA-N 2 0 281.488 2.283 10 0 CEAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182483 179247896 /nfs/dbraw/zinc/24/78/96/179247896.db2.gz VSARDBRBUXOYIJ-JCGIZDLHSA-N 2 0 285.435 2.116 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259362 179258185 /nfs/dbraw/zinc/25/81/85/179258185.db2.gz FQCVELWVUCJEQU-SOUVJXGZSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[N@H+](C)CCCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1C ZINC000086261204 179259833 /nfs/dbraw/zinc/25/98/33/179259833.db2.gz IWXMZPUIWJBWCI-GOEBONIOSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@@H]1CNC2(CCCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261065 179259939 /nfs/dbraw/zinc/25/99/39/179259939.db2.gz CPKURCLLXUMZLE-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288185 179264774 /nfs/dbraw/zinc/26/47/74/179264774.db2.gz RTFQFRBTWGMDAH-MRXNPFEDSA-N 2 0 259.397 2.088 10 0 CEAERP C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258974 179256842 /nfs/dbraw/zinc/25/68/42/179256842.db2.gz JQOWBEIKTRDVAT-YJBOKZPZSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293363 179267569 /nfs/dbraw/zinc/26/75/69/179267569.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 3 0 255.450 2.181 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(OCCC[NH+]2CCCC2)C1 ZINC000086712306 179322631 /nfs/dbraw/zinc/32/26/31/179322631.db2.gz OMNKZEKGBDCJHJ-GJZGRUSLSA-N 2 0 254.418 2.397 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000086818552 179347650 /nfs/dbraw/zinc/34/76/50/179347650.db2.gz UHSUOMREOKNIMP-GJZGRUSLSA-N 2 0 278.444 2.372 10 0 CEAERP CC1CC[NH+](CCCN[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086817371 179344411 /nfs/dbraw/zinc/34/44/11/179344411.db2.gz PVVCHEBMLZVNEL-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847607 179356208 /nfs/dbraw/zinc/35/62/08/179356208.db2.gz KUCRIFHMKPSLQX-MRXNPFEDSA-N 2 0 279.428 2.223 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC(OCC)CC2)CC1 ZINC000086847434 179356786 /nfs/dbraw/zinc/35/67/86/179356786.db2.gz YOPZXZDWWXZUFZ-KRWDZBQOSA-N 2 0 297.487 2.081 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086850958 179357476 /nfs/dbraw/zinc/35/74/76/179357476.db2.gz CUAXWOBTWKMSST-INIZCTEOSA-N 3 0 267.461 2.181 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848893 179357616 /nfs/dbraw/zinc/35/76/16/179357616.db2.gz ZBPAUKVDCPBDGI-OWCLPIDISA-N 2 0 299.528 2.404 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840340 179352105 /nfs/dbraw/zinc/35/21/05/179352105.db2.gz ALUVRJWYGOIVOA-CQSZACIVSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842817 179353953 /nfs/dbraw/zinc/35/39/53/179353953.db2.gz JWCMKZTVKGUDAU-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086846633 179355038 /nfs/dbraw/zinc/35/50/38/179355038.db2.gz XMVKMSGMJPAGJJ-INIZCTEOSA-N 2 0 267.461 2.456 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851149 179359637 /nfs/dbraw/zinc/35/96/37/179359637.db2.gz XCBQWTMNDQLCRG-HZPDHXFCSA-N 2 0 267.461 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848923 179358214 /nfs/dbraw/zinc/35/82/14/179358214.db2.gz OUZPRQVDHCFUFJ-QGZVFWFLSA-N 2 0 279.472 2.312 10 0 CEAERP C1C[NH2+][C@H](C2CC[NH+]([C@@H]3CCCOCC3)CC2)C1 ZINC000086876871 179365686 /nfs/dbraw/zinc/36/56/86/179365686.db2.gz LFLLCMQJYANXEW-CABCVRRESA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000086891408 179366180 /nfs/dbraw/zinc/36/61/80/179366180.db2.gz MTIRHAJOBWMQOS-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[C@@H]1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950250 179368494 /nfs/dbraw/zinc/36/84/94/179368494.db2.gz BFLKKPKPJOWUPT-CVEARBPZSA-N 2 0 295.471 2.099 10 0 CEAERP Nc1cc[nH+]cc1C[C@H]([NH3+])CSC1CCCC1 ZINC000087144230 179397181 /nfs/dbraw/zinc/39/71/81/179397181.db2.gz LLYSTUFISMNZLM-NSHDSACASA-N 2 0 251.399 2.209 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C(C)(C)C(C)(C)[NH3+])([NH+](C)C)C1 ZINC000087628771 179459318 /nfs/dbraw/zinc/45/93/18/179459318.db2.gz GAYIGTUCQHWEKO-DYVFJYSZSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2c[nH]cn2)CC1 ZINC000087543010 179442969 /nfs/dbraw/zinc/44/29/69/179442969.db2.gz HBJZDVHPHBEDGD-CYBMUJFWSA-N 2 0 264.417 2.052 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+](CCOC(F)(F)F)CC1 ZINC000089052189 179694185 /nfs/dbraw/zinc/69/41/85/179694185.db2.gz XLABQXDYZYGNMG-UHFFFAOYSA-N 2 0 282.350 2.480 10 0 CEAERP C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511186 233179408 /nfs/dbraw/zinc/17/94/08/233179408.db2.gz FNOAMRUZERRZRU-ATLSCFEFSA-N 2 0 287.451 2.095 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514772 233179967 /nfs/dbraw/zinc/17/99/67/233179967.db2.gz MSNGGJAWHOBMSO-HLLBOEOZSA-N 2 0 275.440 2.095 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089393105 179779539 /nfs/dbraw/zinc/77/95/39/179779539.db2.gz UMBUPNRFHBOBQT-HOCLYGCPSA-N 2 0 295.471 2.084 10 0 CEAERP [NH3+]C[C@@H]1CCCC[C@H]1C[NH2+]CCc1cscn1 ZINC000089402890 179781680 /nfs/dbraw/zinc/78/16/80/179781680.db2.gz DTBVSCAMESHZGV-RYUDHWBXSA-N 2 0 253.415 2.040 10 0 CEAERP CC(C)C[NH2+]Cc1cncn1CC(C)(C)C[NH+](C)C ZINC000090240278 179938353 /nfs/dbraw/zinc/93/83/53/179938353.db2.gz OYVYOTKQKPIAPK-UHFFFAOYSA-N 2 0 266.433 2.217 10 0 CEAERP CCCC[N@H+](C[C@@H]1COC[C@@H]1[NH2+]CCC)C1CC1 ZINC000090566428 180006074 /nfs/dbraw/zinc/00/60/74/180006074.db2.gz WBXLSOAEWYEGLK-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566760 180006536 /nfs/dbraw/zinc/00/65/36/180006536.db2.gz HKPBYOZLGRWYEP-RCCFBDPRSA-N 2 0 288.435 2.491 10 0 CEAERP CC(C)[N@H+](Cc1cccs1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606836 180011351 /nfs/dbraw/zinc/01/13/51/180011351.db2.gz UZHFLGMQUXRQMA-KBPBESRZSA-N 2 0 268.426 2.322 10 0 CEAERP FC(F)(F)CC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694488 180025817 /nfs/dbraw/zinc/02/58/17/180025817.db2.gz USEMUKDXFMTJDG-NSHDSACASA-N 2 0 250.308 2.403 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090873631 180049846 /nfs/dbraw/zinc/04/98/46/180049846.db2.gz ARGVWVZILBHACU-WFASDCNBSA-N 2 0 260.381 2.049 10 0 CEAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873621 180050201 /nfs/dbraw/zinc/05/02/01/180050201.db2.gz ZZEMARNDIDWPGI-QEJZJMRPSA-N 2 0 260.381 2.049 10 0 CEAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876275 180052408 /nfs/dbraw/zinc/05/24/08/180052408.db2.gz VPNMDIPFWVTSDF-CVEARBPZSA-N 2 0 274.408 2.454 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878932 180053183 /nfs/dbraw/zinc/05/31/83/180053183.db2.gz OQWRKKYTBWOLKO-XHDPSFHLSA-N 2 0 278.371 2.188 10 0 CEAERP Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892242 180053771 /nfs/dbraw/zinc/05/37/71/180053771.db2.gz KCSIYWBTHYBXOO-WBMJQRKESA-N 2 0 290.382 2.203 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)CC[NH+](C)C)O2 ZINC000090897740 180056746 /nfs/dbraw/zinc/05/67/46/180056746.db2.gz QUYJJSKYNVXJHV-UKRRQHHQSA-N 2 0 262.397 2.228 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907811 180061756 /nfs/dbraw/zinc/06/17/56/180061756.db2.gz BAGHYOSXSXIFOM-KFWWJZLASA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907854 180061764 /nfs/dbraw/zinc/06/17/64/180061764.db2.gz JBFBTGCWVDCBQQ-GASCZTMLSA-N 2 0 254.418 2.408 10 0 CEAERP CC[N@H+](Cc1csc(CC[NH3+])n1)C1CCCC1 ZINC000090958030 180075069 /nfs/dbraw/zinc/07/50/69/180075069.db2.gz UTFOYVDNDPAYPT-UHFFFAOYSA-N 2 0 253.415 2.409 10 0 CEAERP [NH3+]CCC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019767 180087676 /nfs/dbraw/zinc/08/76/76/180087676.db2.gz KCNKVRVRTDRIEB-UHFFFAOYSA-N 2 0 258.369 2.124 10 0 CEAERP CC(C)[C@@H]1CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314289 180134088 /nfs/dbraw/zinc/13/40/88/180134088.db2.gz MKHAYGXJIZIFHW-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP CCCc1c(C[NH2+]C2CC2)cnn1-c1cc[nH+]cc1 ZINC000091337124 180136666 /nfs/dbraw/zinc/13/66/66/180136666.db2.gz XCSNLUCKYDPAGG-UHFFFAOYSA-N 2 0 256.353 2.472 10 0 CEAERP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C1CC1 ZINC000091431999 180153381 /nfs/dbraw/zinc/15/33/81/180153381.db2.gz CPDYGKOMADWVIS-CYBMUJFWSA-N 2 0 294.468 2.234 10 0 CEAERP CC(C)C[NH2+]Cc1cncc(OCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000091434619 180154446 /nfs/dbraw/zinc/15/44/46/180154446.db2.gz UJGQJGBPZFRVKR-HNNXBMFYSA-N 2 0 292.427 2.085 10 0 CEAERP C[NH2+][C@H](CCN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091450253 180157829 /nfs/dbraw/zinc/15/78/29/180157829.db2.gz HBDCTFZXJROPTR-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091450375 180158252 /nfs/dbraw/zinc/15/82/52/180158252.db2.gz UIRCZXXLYDOOON-ZDUSSCGKSA-N 2 0 296.484 2.419 10 0 CEAERP CC[C@H](C)n1ccc(C[N@H+](C)CC2CC([NH3+])C2)n1 ZINC000091472382 180165518 /nfs/dbraw/zinc/16/55/18/180165518.db2.gz ICJBMXJRFWRBAC-HIFPTAJRSA-N 2 0 250.390 2.023 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091490538 180169806 /nfs/dbraw/zinc/16/98/06/180169806.db2.gz XOEGCWRMQIYFND-NRXISQOPSA-N 2 0 256.434 2.103 10 0 CEAERP CC[NH2+]C[C@@](C)(C[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490346 180169952 /nfs/dbraw/zinc/16/99/52/180169952.db2.gz VZGGMGWFGJHFNK-VJFUWPCTSA-N 2 0 290.451 2.257 10 0 CEAERP CCOc1cccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091392530 180145092 /nfs/dbraw/zinc/14/50/92/180145092.db2.gz MJCBLAYYJPPEMO-DOTOQJQBSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](CCC)CC1 ZINC000091402259 180146856 /nfs/dbraw/zinc/14/68/56/180146856.db2.gz SRPUMYRBFHHFJX-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091404648 180147517 /nfs/dbraw/zinc/14/75/17/180147517.db2.gz PRKSOUSUYKABIU-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@](C)([C@H]([NH3+])CC1CCOCC1)[NH+]1CCCC1 ZINC000091604755 180204258 /nfs/dbraw/zinc/20/42/58/180204258.db2.gz VDBWPLGMQUXVLM-CABCVRRESA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH2+][C@H](Cc1ccnc(N)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607166 180204435 /nfs/dbraw/zinc/20/44/35/180204435.db2.gz UNOGKRILMUSESH-NVXWUHKLSA-N 2 0 290.455 2.449 10 0 CEAERP C[NH2+][C@@H](CC1CCOCC1)C1([NH+](C)C)CCCC1 ZINC000091637575 180212641 /nfs/dbraw/zinc/21/26/41/180212641.db2.gz IESOMHFSGWBELE-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH+](C)C1(C(=O)Cc2c[nH+]ccc2N)CCCCC1 ZINC000091646517 180215671 /nfs/dbraw/zinc/21/56/71/180215671.db2.gz QQWHQZHTOFJJON-UHFFFAOYSA-N 2 0 261.369 2.040 10 0 CEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cc(CC)nn1C ZINC000091716561 180232417 /nfs/dbraw/zinc/23/24/17/180232417.db2.gz HQWOWPOYBXUZFP-HNNXBMFYSA-N 2 0 280.460 2.235 10 0 CEAERP CCc1nn(C)c(C[C@H]([NH3+])CC[NH+](CC)CC)c1Cl ZINC000091715770 180232951 /nfs/dbraw/zinc/23/29/51/180232951.db2.gz PBEWULQJWPTSEU-LLVKDONJSA-N 2 0 286.851 2.238 10 0 CEAERP CC[NH2+][C@H](C)c1cccn1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000091802146 180259313 /nfs/dbraw/zinc/25/93/13/180259313.db2.gz BICMHBUCVDQMRO-CABCVRRESA-N 2 0 279.428 2.268 10 0 CEAERP CC[N@H+](Cc1ncnn1CC(C)C)C1CCC([NH3+])CC1 ZINC000091850792 180272476 /nfs/dbraw/zinc/27/24/76/180272476.db2.gz HXTJYLPPCGJJES-UHFFFAOYSA-N 2 0 279.432 2.026 10 0 CEAERP CCC[N@H+](CCN1CCCC1)C1CCC([NH3+])CC1 ZINC000091852369 180272709 /nfs/dbraw/zinc/27/27/09/180272709.db2.gz HONVMROPYKYPBO-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@H+](Cc1cc(C)nn1C)C1CCC([NH3+])CC1 ZINC000091852479 180273021 /nfs/dbraw/zinc/27/30/21/180273021.db2.gz NTFIDNGQKHLZIW-UHFFFAOYSA-N 2 0 264.417 2.210 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)CC)C1CCC([NH3+])CC1 ZINC000091852440 180273251 /nfs/dbraw/zinc/27/32/51/180273251.db2.gz VLVQFWQWVLCSNZ-ZUJMUWTESA-N 2 0 283.460 2.272 10 0 CEAERP CC[N@H+](Cc1c(C)nn(C)c1Cl)C1CCC([NH3+])CC1 ZINC000091850801 180272055 /nfs/dbraw/zinc/27/20/55/180272055.db2.gz YRTOBSJCTSXLRR-UHFFFAOYSA-N 2 0 284.835 2.474 10 0 CEAERP CCCC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)CC[NH2+]CC1 ZINC000092005493 180305390 /nfs/dbraw/zinc/30/53/90/180305390.db2.gz UWOZMHFLSHSKIR-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082138 180319569 /nfs/dbraw/zinc/31/95/69/180319569.db2.gz LCFCJPOCONEKMJ-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP C[C@@H]1C[NH+](CC2(C[NH2+]C3CC3)CCOCC2)C[C@H]1C ZINC000092088350 180321022 /nfs/dbraw/zinc/32/10/22/180321022.db2.gz VYXXIAPWQPJECQ-ZIAGYGMSSA-N 2 0 266.429 2.123 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000092202934 180343308 /nfs/dbraw/zinc/34/33/08/180343308.db2.gz XZMGMELAFRDRNV-CABCVRRESA-N 2 0 285.391 2.124 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000109461584 186253776 /nfs/dbraw/zinc/25/37/76/186253776.db2.gz SFOCJRFYQRAMSA-QGZVFWFLSA-N 2 0 275.440 2.158 10 0 CEAERP CCCc1nc(N2CC[C@H]([NH+](CC)CC)C2)sc1C[NH3+] ZINC000110275469 186289376 /nfs/dbraw/zinc/28/93/76/186289376.db2.gz FZCJSLNZSPJMSP-LBPRGKRZSA-N 2 0 296.484 2.475 10 0 CEAERP C[NH+](C)[C@@H]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C1 ZINC000110275275 186289533 /nfs/dbraw/zinc/28/95/33/186289533.db2.gz ZBXYNDUVYMKRTI-SNVBAGLBSA-N 2 0 282.457 2.040 10 0 CEAERP CCCC1(C[N@@H+]2CC[C@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000110371008 186294706 /nfs/dbraw/zinc/29/47/06/186294706.db2.gz YNDKCPHMGVTVRC-INIZCTEOSA-N 2 0 279.472 2.326 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110645667 186308427 /nfs/dbraw/zinc/30/84/27/186308427.db2.gz NIEIIUUVBVBRJP-GWCFXTLKSA-N 2 0 264.417 2.157 10 0 CEAERP CCOc1cccc([C@H](C[NH3+])N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000110708672 186313673 /nfs/dbraw/zinc/31/36/73/186313673.db2.gz XKFZKZVFQHZCIS-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1ccc(C)c([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110716495 186315686 /nfs/dbraw/zinc/31/56/86/186315686.db2.gz KDKGQEYLJABZGJ-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110752283 186321422 /nfs/dbraw/zinc/32/14/22/186321422.db2.gz LQRJFEDARZORCV-AWEZNQCLSA-N 2 0 273.424 2.075 10 0 CEAERP CN(CC1CC[NH+](C)CC1)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111040087 186347091 /nfs/dbraw/zinc/34/70/91/186347091.db2.gz HPMGBFOMUFKOKC-OAHLLOKOSA-N 2 0 297.393 2.238 10 0 CEAERP CC[NH2+]Cc1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC000111150047 186360606 /nfs/dbraw/zinc/36/06/06/186360606.db2.gz YAIIZKWFABBTLQ-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111131676 186356131 /nfs/dbraw/zinc/35/61/31/186356131.db2.gz GLYRVUGTWMHKEI-GXTWGEPZSA-N 2 0 269.458 2.328 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CC[NH+](C)C)C1 ZINC000111132450 186356696 /nfs/dbraw/zinc/35/66/96/186356696.db2.gz BIOCJZXENDPPHT-HIFRSBDPSA-N 2 0 255.450 2.024 10 0 CEAERP CCOc1ccc([C@H](C)[NH3+])cc1CN(C)CC[NH+](C)C ZINC000111135063 186356993 /nfs/dbraw/zinc/35/69/93/186356993.db2.gz RMYYTZGBYHXCEH-ZDUSSCGKSA-N 2 0 279.428 2.098 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135156 186357268 /nfs/dbraw/zinc/35/72/68/186357268.db2.gz RHFLEELXYFENHQ-XHSDSOJGSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136094 186357364 /nfs/dbraw/zinc/35/73/64/186357364.db2.gz BXEQNXKERCSSSV-HOTGVXAUSA-N 2 0 263.429 2.349 10 0 CEAERP CCOc1ccccc1[C@H](CN(C)CCC[NH+](C)C)[NH2+]C ZINC000111136300 186357670 /nfs/dbraw/zinc/35/76/70/186357670.db2.gz SYIYHZIGYIYBKY-INIZCTEOSA-N 2 0 293.455 2.229 10 0 CEAERP CN(CC[NH+](C)C)C[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000111134361 186357926 /nfs/dbraw/zinc/35/79/26/186357926.db2.gz WWKQWEDURSFUHK-QGZVFWFLSA-N 2 0 271.408 2.333 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CC[NH+](C)C ZINC000111135520 186358008 /nfs/dbraw/zinc/35/80/08/186358008.db2.gz YDQHKVYUJZIDGU-DLBZAZTESA-N 2 0 275.440 2.145 10 0 CEAERP C[C@H]([NH3+])c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138571 186358023 /nfs/dbraw/zinc/35/80/23/186358023.db2.gz JYQIQLGSIPQSJV-NSHDSACASA-N 2 0 253.365 2.233 10 0 CEAERP CC[NH2+]C[C@@](C)(CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147525 186359039 /nfs/dbraw/zinc/35/90/39/186359039.db2.gz SHFKQNDOGIMPOE-SFHVURJKSA-N 2 0 291.483 2.437 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000111174913 186365324 /nfs/dbraw/zinc/36/53/24/186365324.db2.gz HSOYGDAILDOYLD-CYBMUJFWSA-N 2 0 266.385 2.248 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171735 186365503 /nfs/dbraw/zinc/36/55/03/186365503.db2.gz BNQBTMKJYYITSY-RRFJBIMHSA-N 2 0 254.418 2.123 10 0 CEAERP CCC1(C[N@H+](C)C[C@@H]2CCCOC2)CC[NH2+]CC1 ZINC000111179186 186366359 /nfs/dbraw/zinc/36/63/59/186366359.db2.gz BWUAENDPGXAXNY-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327411 186398401 /nfs/dbraw/zinc/39/84/01/186398401.db2.gz XKKQKWUNUDFWIC-KRWDZBQOSA-N 2 0 298.471 2.018 10 0 CEAERP CCC(CC)[N@H+](CCOC)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111328263 186399368 /nfs/dbraw/zinc/39/93/68/186399368.db2.gz XTHRVOGHNPLTBL-INIZCTEOSA-N 2 0 286.460 2.140 10 0 CEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000111265522 186382022 /nfs/dbraw/zinc/38/20/22/186382022.db2.gz TULZZAQDOMDQAY-CZUORRHYSA-N 2 0 287.407 2.076 10 0 CEAERP Cc1cc(N(C)CC2CC[NH+](C)CC2)ccc1CC[NH3+] ZINC000111482119 186423108 /nfs/dbraw/zinc/42/31/08/186423108.db2.gz FQQWAJSEAZGTLL-UHFFFAOYSA-N 2 0 275.440 2.274 10 0 CEAERP CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000111706976 186447988 /nfs/dbraw/zinc/44/79/88/186447988.db2.gz UCYFAYZLFVOLLX-DZGCQCFKSA-N 2 0 254.418 2.123 10 0 CEAERP Cc1c[nH+]ccc1NCCC[NH2+]Cc1cccnc1 ZINC000070489746 363091736 /nfs/dbraw/zinc/09/17/36/363091736.db2.gz NNIKSNQGCFBABC-UHFFFAOYSA-N 2 0 256.353 2.377 10 0 CEAERP Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000630526579 351773194 /nfs/dbraw/zinc/77/31/94/351773194.db2.gz MCVYTYICDSFREY-CMPLNLGQSA-N 2 0 273.302 2.354 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000414809489 236491089 /nfs/dbraw/zinc/49/10/89/236491089.db2.gz UGVKMRSMNJKVQZ-PWSUYJOCSA-N 2 0 284.201 2.061 10 0 CEAERP C[C@H]1CCC[C@@](CNc2cc[nH+]cc2C(N)=O)([NH+](C)C)C1 ZINC000302210791 201399123 /nfs/dbraw/zinc/39/91/23/201399123.db2.gz GNKLSWXMQQHLCZ-BLLLJJGKSA-N 2 0 290.411 2.103 10 0 CEAERP O[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000085977610 363837269 /nfs/dbraw/zinc/83/72/69/363837269.db2.gz IITRRLIHXICVIO-YOEHRIQHSA-N 2 0 289.423 2.191 10 0 CEAERP COc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000583982025 367124278 /nfs/dbraw/zinc/12/42/78/367124278.db2.gz FKLJIOJJRCMTTP-ZFWWWQNUSA-N 2 0 262.397 2.215 10 0 CEAERP COCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572612608 299384359 /nfs/dbraw/zinc/38/43/59/299384359.db2.gz LVLJIDWQQFXXDJ-KBPBESRZSA-N 2 0 262.397 2.311 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH2+]CC1 ZINC000635003352 369039038 /nfs/dbraw/zinc/03/90/38/369039038.db2.gz IJAKCTHPBJELOF-WBVHZDCISA-N 2 0 287.451 2.096 10 0 CEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261590908 371666424 /nfs/dbraw/zinc/66/64/24/371666424.db2.gz LSJRUEXVVVLBGM-CFVMTHIKSA-N 2 0 260.381 2.173 10 0 CEAERP Cc1ccc(O)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261614508 371678831 /nfs/dbraw/zinc/67/88/31/371678831.db2.gz BDBHXYBHUORBRT-CVEARBPZSA-N 2 0 297.402 2.270 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000261695773 371703678 /nfs/dbraw/zinc/70/36/78/371703678.db2.gz BIKQNICHZZKCAU-GOEBONIOSA-N 3 0 276.428 2.082 10 0 CEAERP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000262043103 371809039 /nfs/dbraw/zinc/80/90/39/371809039.db2.gz YPTFEGFGEMUAQW-JYJNAYRXSA-N 2 0 288.439 2.095 10 0 CEAERP C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1[NH3+] ZINC000262090529 371821975 /nfs/dbraw/zinc/82/19/75/371821975.db2.gz USWLHFOVEYPWRN-KSSFIOAISA-N 2 0 297.402 2.440 10 0 CEAERP CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000389156380 375298029 /nfs/dbraw/zinc/29/80/29/375298029.db2.gz KTWGBRVMTCVRAX-BPQIPLTHSA-N 2 0 287.451 2.333 10 0 CEAERP CC(C)(C)[C@@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251231 378696219 /nfs/dbraw/zinc/69/62/19/378696219.db2.gz DLDOJMRNMLHHMX-HNNXBMFYSA-N 2 0 277.412 2.047 10 0 CEAERP COC1CC[NH+](CC[C@@H]2CCC[C@]2(CO)[NH2+]C(C)C)CC1 ZINC000093616835 184695838 /nfs/dbraw/zinc/69/58/38/184695838.db2.gz LSUAQDIHBAFLBO-DOTOQJQBSA-N 2 0 298.471 2.017 10 0 CEAERP Clc1ccc(CC[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094009547 184749653 /nfs/dbraw/zinc/74/96/53/184749653.db2.gz OLSVWCDIEQVTSS-UHFFFAOYSA-N 2 0 252.789 2.472 10 0 CEAERP CCC[N@@H+](Cc1cc(C)nn1CC)CC1CC[NH2+]CC1 ZINC000094025573 184751366 /nfs/dbraw/zinc/75/13/66/184751366.db2.gz MQAQTEGIFLUYDB-UHFFFAOYSA-N 2 0 278.444 2.423 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094361528 184788935 /nfs/dbraw/zinc/78/89/35/184788935.db2.gz AFPOBINSNXLKCI-ZFWWWQNUSA-N 2 0 298.496 2.490 10 0 CEAERP CC(C)CC1(C[NH2+]C[C@H]2COC[C@H]2[NH3+])CCCC1 ZINC000094879432 184886155 /nfs/dbraw/zinc/88/61/55/184886155.db2.gz AXKAZCCSNIOWEJ-UONOGXRCSA-N 2 0 254.418 2.156 10 0 CEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261582940 285526277 /nfs/dbraw/zinc/52/62/77/285526277.db2.gz GXLKZASANFZNMP-MRXNPFEDSA-N 2 0 253.349 2.425 10 0 CEAERP CC(C)(C[NH3+])CC[NH+]1CCN(c2ccccc2)CC1 ZINC000087590390 135050834 /nfs/dbraw/zinc/05/08/34/135050834.db2.gz IWQCVYSVYQHPHW-UHFFFAOYSA-N 2 0 261.413 2.184 10 0 CEAERP [NH3+]CCC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088249128 135053492 /nfs/dbraw/zinc/05/34/92/135053492.db2.gz LHJXMPBZXHACTK-UHFFFAOYSA-N 2 0 277.387 2.077 10 0 CEAERP Cc1cc(C[C@@H](C)[NH3+])ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091432416 135069843 /nfs/dbraw/zinc/06/98/43/135069843.db2.gz KVTJKWVJEWFVRF-ZBFHGGJFSA-N 2 0 275.440 2.415 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(C[NH3+])n1 ZINC000094443304 135088451 /nfs/dbraw/zinc/08/84/51/135088451.db2.gz UIKZPBWBADYWDB-VXGBXAGGSA-N 2 0 294.830 2.257 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(C[NH3+])cc1Cl ZINC000094443294 135088664 /nfs/dbraw/zinc/08/86/64/135088664.db2.gz YFVBMYYIUJSWDM-DGCLKSJQSA-N 2 0 294.830 2.257 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444592 135088773 /nfs/dbraw/zinc/08/87/73/135088773.db2.gz OGHXISKTPZTEQZ-DZGCQCFKSA-N 2 0 291.414 2.390 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000094443193 135088822 /nfs/dbraw/zinc/08/88/22/135088822.db2.gz LKOQGHHDVYOORZ-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261745700 394606583 /nfs/dbraw/zinc/60/65/83/394606583.db2.gz BSWHCNHPLOYDGG-YCPHGPKFSA-N 2 0 259.397 2.464 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422794986 394792478 /nfs/dbraw/zinc/79/24/78/394792478.db2.gz VCSMTMBOLVMILB-KTFSGNIMSA-N 2 0 274.408 2.464 10 0 CEAERP C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422816274 394807358 /nfs/dbraw/zinc/80/73/58/394807358.db2.gz DWUYUBZBMYJNRZ-LSJOCFKGSA-N 2 0 250.308 2.305 10 0 CEAERP FC1(F)CCCC[C@@H]1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381590743 395175115 /nfs/dbraw/zinc/17/51/15/395175115.db2.gz DMJBUIIYPFPFCU-YNEHKIRRSA-N 2 0 258.356 2.496 10 0 CEAERP FC1(F)CCCC[C@@H]1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381590740 395175541 /nfs/dbraw/zinc/17/55/41/395175541.db2.gz DMJBUIIYPFPFCU-UPJWGTAASA-N 2 0 258.356 2.496 10 0 CEAERP OCCC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444570095 395437185 /nfs/dbraw/zinc/43/71/85/395437185.db2.gz GPZVWCALLCKZJL-HNNXBMFYSA-N 2 0 254.418 2.099 10 0 CEAERP Cc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000020179449 171044058 /nfs/dbraw/zinc/04/40/58/171044058.db2.gz YJKNOVJNHPKCSK-QGZVFWFLSA-N 2 0 275.440 2.268 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179522 171044121 /nfs/dbraw/zinc/04/41/21/171044121.db2.gz LSFNRHVCEUPYJH-MRXNPFEDSA-N 2 0 279.403 2.099 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N1CC[NH+](CC)CC1 ZINC000020260061 171116247 /nfs/dbraw/zinc/11/62/47/171116247.db2.gz YIWUMKODFNNSNO-HZPDHXFCSA-N 2 0 261.413 2.103 10 0 CEAERP CCCN(CCC)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524100 171237184 /nfs/dbraw/zinc/23/71/84/171237184.db2.gz GPODFHVVAYUCIC-YIONKMFJSA-N 2 0 253.434 2.063 10 0 CEAERP CCC[NH+](CCC)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152203 171359705 /nfs/dbraw/zinc/35/97/05/171359705.db2.gz YYSMUSNYECGWDC-UHFFFAOYSA-N 2 0 263.385 2.206 10 0 CEAERP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155108 171362094 /nfs/dbraw/zinc/36/20/94/171362094.db2.gz BKZZCCHOTQAAFP-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP CCN1CCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210241 173032689 /nfs/dbraw/zinc/03/26/89/173032689.db2.gz IHWIKYSMECVTHS-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000037221778 173041313 /nfs/dbraw/zinc/04/13/13/173041313.db2.gz UJOWKLVZHPENHV-GUTXKFCHSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@H]([NH3+])Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000037726564 173644932 /nfs/dbraw/zinc/64/49/32/173644932.db2.gz VDIJPLRJJVMBBE-AWEZNQCLSA-N 2 0 262.397 2.441 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC[C@H]2CCCO2)CC1 ZINC000038096071 174110375 /nfs/dbraw/zinc/11/03/75/174110375.db2.gz XFNQGPZMZMOJHR-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693917 174377701 /nfs/dbraw/zinc/37/77/01/174377701.db2.gz FQGRPJADKMWKSF-HOTGVXAUSA-N 2 0 265.445 2.207 10 0 CEAERP COc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c(OC)c1 ZINC000040749250 174393759 /nfs/dbraw/zinc/39/37/59/174393759.db2.gz SWKZOJQOPAWKEH-AGUYFDCRSA-N 2 0 276.380 2.158 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335711 175011110 /nfs/dbraw/zinc/01/11/10/175011110.db2.gz YJALSJBINKGDEM-JSGCOSHPSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335716 175011416 /nfs/dbraw/zinc/01/14/16/175011416.db2.gz GSQYHIDJBBYEJA-HIFRSBDPSA-N 2 0 279.428 2.474 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340473 175014789 /nfs/dbraw/zinc/01/47/89/175014789.db2.gz WUMUFOVNZHYITF-WBVHZDCISA-N 2 0 290.455 2.134 10 0 CEAERP [NH3+]C[C@H](c1ccncc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043353919 175020976 /nfs/dbraw/zinc/02/09/76/175020976.db2.gz SKGGSUUFUUKEPU-QGZVFWFLSA-N 2 0 288.439 2.032 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043810790 175110405 /nfs/dbraw/zinc/11/04/05/175110405.db2.gz RDPUUQLDIOFSHG-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815236 175112017 /nfs/dbraw/zinc/11/20/17/175112017.db2.gz SQHAXTGRBKDHMJ-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CCc1ccc([C@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818221 175113007 /nfs/dbraw/zinc/11/30/07/175113007.db2.gz MQIKXGIMPCYMAP-KRWDZBQOSA-N 2 0 275.440 2.147 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818343 175113105 /nfs/dbraw/zinc/11/31/05/175113105.db2.gz HZUPZQCOKAWVJQ-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897398 175120022 /nfs/dbraw/zinc/12/00/22/175120022.db2.gz VCDKCBMSMNNYID-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897414 175120481 /nfs/dbraw/zinc/12/04/81/175120481.db2.gz GPZYMVMSFHLAMY-BMFZPTHFSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907886 175123335 /nfs/dbraw/zinc/12/33/35/175123335.db2.gz UQDVEKKBEWGLCA-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]([NH2+]C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907724 175123498 /nfs/dbraw/zinc/12/34/98/175123498.db2.gz URYHVIFVCKNSGI-HOCLYGCPSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965692 175127359 /nfs/dbraw/zinc/12/73/59/175127359.db2.gz YRBINQMFBIRAHH-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967757 175129337 /nfs/dbraw/zinc/12/93/37/175129337.db2.gz NDNJWVGSDBBAJF-XIRDDKMYSA-N 2 0 279.472 2.323 10 0 CEAERP CCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000045072523 175301795 /nfs/dbraw/zinc/30/17/95/175301795.db2.gz VEVCXTLGVNRXGK-CABCVRRESA-N 2 0 283.460 2.003 10 0 CEAERP CC(C)CCOCC[N@H+]1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000045109375 175309650 /nfs/dbraw/zinc/30/96/50/175309650.db2.gz HTLXONJLOVKBLC-GASCZTMLSA-N 2 0 256.434 2.227 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134870 175312490 /nfs/dbraw/zinc/31/24/90/175312490.db2.gz DBCDVVVTRLXKLI-CQSZACIVSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000045136109 175313659 /nfs/dbraw/zinc/31/36/59/175313659.db2.gz FSXBZJYJDFVNQU-NSHDSACASA-N 2 0 255.431 2.188 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379744 175369273 /nfs/dbraw/zinc/36/92/73/175369273.db2.gz DKTOJYOQXFPMLA-IJEWVQPXSA-N 2 0 283.460 2.273 10 0 CEAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384742 175372490 /nfs/dbraw/zinc/37/24/90/175372490.db2.gz HPBNAQRRKAGHSM-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421037 175379823 /nfs/dbraw/zinc/37/98/23/175379823.db2.gz QPIYNKBIYMDYTR-BBRMVZONSA-N 2 0 285.476 2.375 10 0 CEAERP [NH3+]Cc1cccc(-c2cccc3c2O[C@@H](C[NH3+])C3)c1 ZINC000067956390 175804348 /nfs/dbraw/zinc/80/43/48/175804348.db2.gz ZLIOQFOKBBAHOJ-CQSZACIVSA-N 2 0 254.333 2.075 10 0 CEAERP CCOC1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070542674 175978126 /nfs/dbraw/zinc/97/81/26/175978126.db2.gz VHGHCEXUQJLEFO-UHFFFAOYSA-N 2 0 262.397 2.189 10 0 CEAERP CC[NH2+][C@@H]1CCCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038091 176026613 /nfs/dbraw/zinc/02/66/13/176026613.db2.gz DZOAUUQCUIVUKD-LSDHHAIUSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038081 176026696 /nfs/dbraw/zinc/02/66/96/176026696.db2.gz IJZNDBGYXWORKK-CVEARBPZSA-N 2 0 297.487 2.488 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000071124614 176035000 /nfs/dbraw/zinc/03/50/00/176035000.db2.gz AQRSEHPGXXGZDG-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148939 176044819 /nfs/dbraw/zinc/04/48/19/176044819.db2.gz KKMRDXFNGYJLRE-CABCVRRESA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000071162229 176046739 /nfs/dbraw/zinc/04/67/39/176046739.db2.gz FOTZLLXPPYRMDP-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000071188026 176061490 /nfs/dbraw/zinc/06/14/90/176061490.db2.gz JOFHEYFVFOKTLY-WFASDCNBSA-N 2 0 281.831 2.223 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187917 176061700 /nfs/dbraw/zinc/06/17/00/176061700.db2.gz AHKUXAKTXWDQHC-GUTXKFCHSA-N 2 0 281.469 2.328 10 0 CEAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188594 176063481 /nfs/dbraw/zinc/06/34/81/176063481.db2.gz MGXOSEADHSRVPY-OAGGEKHMSA-N 2 0 269.477 2.414 10 0 CEAERP CCc1ccc([C@@H](CN(C)C[C@@H]2CC[N@H+](C)C2)[NH2+]C)cc1 ZINC000071188878 176063785 /nfs/dbraw/zinc/06/37/85/176063785.db2.gz YCODJUBLXKOXHE-SJLPKXTDSA-N 2 0 289.467 2.393 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191657 176071931 /nfs/dbraw/zinc/07/19/31/176071931.db2.gz QDTPDLVEGNISPB-HNNXBMFYSA-N 2 0 290.455 2.215 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192301 176073859 /nfs/dbraw/zinc/07/38/59/176073859.db2.gz DIDVEWUSXFDSOR-ZIAGYGMSSA-N 2 0 281.469 2.110 10 0 CEAERP Cc1ccc(C[NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071192438 176074343 /nfs/dbraw/zinc/07/43/43/176074343.db2.gz OTIAPGZQSXUPQP-CQSZACIVSA-N 2 0 281.469 2.030 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)[C@@H]1CCCN(C)C1 ZINC000071289782 176110275 /nfs/dbraw/zinc/11/02/75/176110275.db2.gz BKKMSZOXZDMHJE-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000071312261 176118754 /nfs/dbraw/zinc/11/87/54/176118754.db2.gz YLPRLJVWQLQDST-QZTJIDSGSA-N 2 0 287.451 2.335 10 0 CEAERP CC[NH+](CC)CCOc1nc2ccccc2cc1C[NH3+] ZINC000071385920 176147318 /nfs/dbraw/zinc/14/73/18/176147318.db2.gz WOKPDABQEWBEEY-UHFFFAOYSA-N 2 0 273.380 2.414 10 0 CEAERP [NH3+][C@@H](CCC[NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000071401976 176154045 /nfs/dbraw/zinc/15/40/45/176154045.db2.gz WFZDMERMEUVDPR-WBVHZDCISA-N 2 0 273.424 2.293 10 0 CEAERP CCC[NH2+]Cc1cc(C)ccc1OCC[NH+](C)C ZINC000071406365 176155885 /nfs/dbraw/zinc/15/58/85/176155885.db2.gz AIQKDKYGVPQZAJ-UHFFFAOYSA-N 2 0 250.386 2.435 10 0 CEAERP CC(C)Cc1ccc([C@@H](C[NH3+])N2CC[NH+](C)CC2)cc1 ZINC000071616687 176234802 /nfs/dbraw/zinc/23/48/02/176234802.db2.gz VIMCUODMHNUHGU-QGZVFWFLSA-N 2 0 275.440 2.132 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000079209884 177446943 /nfs/dbraw/zinc/44/69/43/177446943.db2.gz CBIOZNARMYDLIY-HNNXBMFYSA-N 2 0 297.487 2.473 10 0 CEAERP C[C@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000667006703 419510961 /nfs/dbraw/zinc/51/09/61/419510961.db2.gz UXYYTFMLIWQBFR-GOEBONIOSA-N 2 0 262.397 2.181 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C)c1 ZINC000234802916 260379732 /nfs/dbraw/zinc/37/97/32/260379732.db2.gz NIOXBWIGJULNLC-ZFWWWQNUSA-N 2 0 250.386 2.400 10 0 CEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555420 262216649 /nfs/dbraw/zinc/21/66/49/262216649.db2.gz LFUUICPNYHESCS-IAGOWNOFSA-N 2 0 287.451 2.239 10 0 CEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000398004124 270355463 /nfs/dbraw/zinc/35/54/63/270355463.db2.gz PMLAXQPBBDPLNT-SJORKVTESA-N 2 0 275.440 2.095 10 0 CEAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000251554681 278210087 /nfs/dbraw/zinc/21/00/87/278210087.db2.gz RDYRWGYGKNDXEW-HZUKXOBISA-N 2 0 275.396 2.423 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261813013 279300458 /nfs/dbraw/zinc/30/04/58/279300458.db2.gz ZWPBYVSNTKWFAS-HZPDHXFCSA-N 2 0 295.471 2.227 10 0 CEAERP CCC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[NH+](C)C ZINC000245659580 280255441 /nfs/dbraw/zinc/25/54/41/280255441.db2.gz HDUWSIGUTKKUEE-BFYDXBDKSA-N 2 0 297.487 2.343 10 0 CEAERP CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466414 281069814 /nfs/dbraw/zinc/06/98/14/281069814.db2.gz HMTILSQFKZKWTD-GXTWGEPZSA-N 2 0 291.443 2.330 10 0 CEAERP CCC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+](C)C ZINC000153786033 289123029 /nfs/dbraw/zinc/12/30/29/289123029.db2.gz UWSGMZKJYBFXDW-INIZCTEOSA-N 2 0 297.487 2.297 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074283 290387506 /nfs/dbraw/zinc/38/75/06/290387506.db2.gz UTXLNDOKVMZPEG-NFOMZHRRSA-N 3 0 253.434 2.110 10 0 CEAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000576268516 314257591 /nfs/dbraw/zinc/25/75/91/314257591.db2.gz CKDOCIHRWFGVOE-GVRJEKJASA-N 2 0 278.440 2.312 10 0 CEAERP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000581005711 322361304 /nfs/dbraw/zinc/36/13/04/322361304.db2.gz CVMUHJQPUZCQND-JKSUJKDBSA-N 2 0 267.461 2.086 10 0 CEAERP CC(C)([NH3+])CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000070088686 519299637 /nfs/dbraw/zinc/29/96/37/519299637.db2.gz UMKVCVHDVYCTRF-UHFFFAOYSA-N 3 0 267.461 2.312 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010862 519723462 /nfs/dbraw/zinc/72/34/62/519723462.db2.gz JESAJRIDJNUYGT-INIZCTEOSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654644 519743616 /nfs/dbraw/zinc/74/36/16/519743616.db2.gz MGMGOZJQAHJXJB-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654750 519743928 /nfs/dbraw/zinc/74/39/28/519743928.db2.gz QIWKEJKLIZPOPW-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055073668 520031580 /nfs/dbraw/zinc/03/15/80/520031580.db2.gz VSPWVYQJCHVXQZ-CQSZACIVSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554613 520123187 /nfs/dbraw/zinc/12/31/87/520123187.db2.gz ZLPNPEDAQXLBNB-XHSDSOJGSA-N 2 0 267.461 2.037 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905616 520181688 /nfs/dbraw/zinc/18/16/88/520181688.db2.gz OLPAUTCEFGJOTJ-VXGBXAGGSA-N 2 0 282.457 2.344 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071673 521267529 /nfs/dbraw/zinc/26/75/29/521267529.db2.gz ZOXSYGJNKHPVGL-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCN(Cc1ccco1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048905541 521399017 /nfs/dbraw/zinc/39/90/17/521399017.db2.gz ASJVMCOGXHRLPP-UHFFFAOYSA-N 2 0 279.428 2.303 10 0 CEAERP CCCc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH3+] ZINC000054997428 521532580 /nfs/dbraw/zinc/53/25/80/521532580.db2.gz JNHAQLTUZBEHNS-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C)c(C[NH2+]C)o1 ZINC000052544305 521656275 /nfs/dbraw/zinc/65/62/75/521656275.db2.gz MHGRSQPYKSFEEO-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000050953922 518384309 /nfs/dbraw/zinc/38/43/09/518384309.db2.gz IEFXGTQNGPUAPD-HOTGVXAUSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055163079 518711858 /nfs/dbraw/zinc/71/18/58/518711858.db2.gz CPVUSJCECGBVOS-GJZGRUSLSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)(C)[NH2+]CC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068890160 518755992 /nfs/dbraw/zinc/75/59/92/518755992.db2.gz AUGDHMCPXVTOAP-LLVKDONJSA-N 2 0 282.350 2.010 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670486 518760406 /nfs/dbraw/zinc/76/04/06/518760406.db2.gz UYALFMCSUZCYPT-GJZGRUSLSA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCCC2)O1 ZINC000052671058 518762025 /nfs/dbraw/zinc/76/20/25/518762025.db2.gz RUMCICDBXLFXQT-CVEARBPZSA-N 2 0 298.471 2.425 10 0 CEAERP CC(C)[NH+](CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2)C(C)C ZINC000054601667 519646444 /nfs/dbraw/zinc/64/64/44/519646444.db2.gz CCXFEKXMLUHJEN-MQVJKMGUSA-N 2 0 267.461 2.449 10 0 CEAERP CC(C)CC[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052545884 519650680 /nfs/dbraw/zinc/65/06/80/519650680.db2.gz IBUVETWIMUZFAA-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050946246 519669623 /nfs/dbraw/zinc/66/96/23/519669623.db2.gz UUZNJVMADKHSEH-OAHLLOKOSA-N 2 0 295.471 2.240 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@@H](C)C[NH2+]C(C)C ZINC000052503297 519716139 /nfs/dbraw/zinc/71/61/39/519716139.db2.gz ANMCZYPZXLKANA-HNNXBMFYSA-N 2 0 257.466 2.140 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377147 519725624 /nfs/dbraw/zinc/72/56/24/519725624.db2.gz ZTHKFDARBPHQKV-HUUCEWRRSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055078551 519727504 /nfs/dbraw/zinc/72/75/04/519727504.db2.gz OGLGZGRIODJFDJ-INIZCTEOSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)C2CCOCC2)CCOCC1 ZINC000052181927 519742761 /nfs/dbraw/zinc/74/27/61/519742761.db2.gz YFVRTEBAHMFDSN-UHFFFAOYSA-N 2 0 298.471 2.140 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)CCc1ccncc1 ZINC000052483066 519744492 /nfs/dbraw/zinc/74/44/92/519744492.db2.gz ZUVQJTSZVXKFQW-OAHLLOKOSA-N 2 0 263.429 2.438 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573485 519744600 /nfs/dbraw/zinc/74/46/00/519744600.db2.gz NPWZMHGVATUGKT-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643349 519803406 /nfs/dbraw/zinc/80/34/06/519803406.db2.gz MXSZSACDEOADIC-KLHDSHLOSA-N 2 0 267.461 2.164 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055163218 519846261 /nfs/dbraw/zinc/84/62/61/519846261.db2.gz SPRUYUDYWUIETM-GJZGRUSLSA-N 2 0 295.471 2.132 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553829 519852051 /nfs/dbraw/zinc/85/20/51/519852051.db2.gz XFRBTMPTTWEHHT-ARFHVFGLSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH+]1CCN(Cc2ccccc2C[NH2+]CC)CC1 ZINC000052422077 519858961 /nfs/dbraw/zinc/85/89/61/519858961.db2.gz HVOUGRHIQUWIGB-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCOCC1 ZINC000052763423 519911403 /nfs/dbraw/zinc/91/14/03/519911403.db2.gz JCGTYNNPWPYLOG-INIZCTEOSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]CC1(CN2CC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000062969898 519914166 /nfs/dbraw/zinc/91/41/66/519914166.db2.gz XOGCWLKSGUIANC-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573477 519919925 /nfs/dbraw/zinc/91/99/25/519919925.db2.gz VVXYKARUQWLNDP-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC000061654219 519950541 /nfs/dbraw/zinc/95/05/41/519950541.db2.gz GNHFWXVELSEFAB-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972414 519957550 /nfs/dbraw/zinc/95/75/50/519957550.db2.gz HUYFEYDXROHDCL-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572316 519958330 /nfs/dbraw/zinc/95/83/30/519958330.db2.gz UZMRZJLWYKLLJJ-AWEZNQCLSA-N 2 0 298.427 2.263 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907415 519962568 /nfs/dbraw/zinc/96/25/68/519962568.db2.gz NNOCJEFOKWIMOD-UHFFFAOYSA-N 2 0 296.484 2.421 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](C)[C@@H](C)COC)c1 ZINC000052511757 519964922 /nfs/dbraw/zinc/96/49/22/519964922.db2.gz VAIPGRNCIMQICY-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](CCOC)[C@@H](C)COC ZINC000052572348 519973388 /nfs/dbraw/zinc/97/33/88/519973388.db2.gz PXULLAQSHMTVFZ-AWEZNQCLSA-N 2 0 298.427 2.263 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)COC)cc1 ZINC000052572425 519995964 /nfs/dbraw/zinc/99/59/64/519995964.db2.gz SEDBFOAGSPLCSP-HNNXBMFYSA-N 2 0 294.439 2.279 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](CC)[C@@H](C)COC ZINC000052504760 520010857 /nfs/dbraw/zinc/01/08/57/520010857.db2.gz GJNXEPXMENTPGP-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079126 520081301 /nfs/dbraw/zinc/08/13/01/520081301.db2.gz IUARQHIMRJALOA-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912274 520105846 /nfs/dbraw/zinc/10/58/46/520105846.db2.gz VWICYSMKBQOXDX-QGZVFWFLSA-N 2 0 289.423 2.026 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970165 520116934 /nfs/dbraw/zinc/11/69/34/520116934.db2.gz IOAVFDDNNXFHNL-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CCO[C@H](C[NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000062739931 520518414 /nfs/dbraw/zinc/51/84/14/520518414.db2.gz HIWFWOPVWYDPRC-CQSZACIVSA-N 2 0 254.418 2.397 10 0 CEAERP CCO[C@H](C[NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062739457 520518301 /nfs/dbraw/zinc/51/83/01/520518301.db2.gz QPWQTLBTRPUCEI-QGZVFWFLSA-N 2 0 276.424 2.305 10 0 CEAERP CC[NH+](CC)CCCN1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054601493 520610665 /nfs/dbraw/zinc/61/06/65/520610665.db2.gz KHCRKJFHMQDESR-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+](CC)CCOCc1cc(C[NH2+]CC(C)C)no1 ZINC000052671841 520695000 /nfs/dbraw/zinc/69/50/00/520695000.db2.gz XRDLUMQFMKYQRR-UHFFFAOYSA-N 2 0 283.416 2.279 10 0 CEAERP CCC[C@@H]([NH3+])[C@H](CC)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978869 520725772 /nfs/dbraw/zinc/72/57/72/520725772.db2.gz WTHJFUFUQZOOMH-ZNMIVQPWSA-N 2 0 255.450 2.309 10 0 CEAERP CC[N@H+](CCOc1cccc(C[NH2+]C)c1)[C@H](C)COC ZINC000052504860 521150873 /nfs/dbraw/zinc/15/08/73/521150873.db2.gz QVAPUTKXMVLTOG-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000069379336 521252482 /nfs/dbraw/zinc/25/24/82/521252482.db2.gz CEQMUACMASSVMY-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCCc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH2+]C ZINC000054997463 521531266 /nfs/dbraw/zinc/53/12/66/521531266.db2.gz JLRCUCVYFSFZMJ-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C)CC[NH2+]CC(C)C ZINC000052544303 521657722 /nfs/dbraw/zinc/65/77/22/521657722.db2.gz URPYARIKJQUMTK-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH+]1CCN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC1 ZINC000052422192 521690081 /nfs/dbraw/zinc/69/00/81/521690081.db2.gz GSOTXXNQFCOMNF-UHFFFAOYSA-N 2 0 296.484 2.169 10 0 CEAERP C[NH+](C)CCOCc1ccoc1C[NH2+]C(C)(C)C ZINC000052669917 521794329 /nfs/dbraw/zinc/79/43/29/521794329.db2.gz ALEOQCLCZBPLEV-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]CCC(C)(C)C ZINC000061655220 521869464 /nfs/dbraw/zinc/86/94/64/521869464.db2.gz KPZQTRMSVDHBPG-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cccc(Cl)c1C(N)=[NH2+] ZINC000061644632 521875291 /nfs/dbraw/zinc/87/52/91/521875291.db2.gz MZQYMOWFVPPDPE-SNVBAGLBSA-N 2 0 280.803 2.154 10 0 CEAERP CC[C@@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181186 522048869 /nfs/dbraw/zinc/04/88/69/522048869.db2.gz UJEJMVMEAGECMV-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccc2cccnc21 ZINC000070281089 522055588 /nfs/dbraw/zinc/05/55/88/522055588.db2.gz IYKXYLVFLVVCMB-BBRMVZONSA-N 2 0 255.365 2.447 10 0 CEAERP C[NH2+]C[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011436 522055824 /nfs/dbraw/zinc/05/58/24/522055824.db2.gz ASQDCCLRMTVOOF-KRWDZBQOSA-N 2 0 287.451 2.192 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346817 522059995 /nfs/dbraw/zinc/05/99/95/522059995.db2.gz KOLHIUHAQCKLEN-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C[C@H](c1ccccc1)N(CC[NH+](C)C)CC(C)C ZINC000052503410 522077590 /nfs/dbraw/zinc/07/75/90/522077590.db2.gz JJGWXLGXBOKDIT-QGZVFWFLSA-N 2 0 277.456 2.467 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)Cc2ccncc2)c1 ZINC000052480907 522126495 /nfs/dbraw/zinc/12/64/95/522126495.db2.gz DYMRRSAWPDIEAS-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063993 522128318 /nfs/dbraw/zinc/12/83/18/522128318.db2.gz KCECECIUHPOVGD-CJNGLKHVSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063752 522129458 /nfs/dbraw/zinc/12/94/58/522129458.db2.gz DIHCMEBMRBONJG-BFYDXBDKSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064013 522131546 /nfs/dbraw/zinc/13/15/46/522131546.db2.gz AQFOOQQNLVBSOC-CZUORRHYSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064244 522131574 /nfs/dbraw/zinc/13/15/74/522131574.db2.gz SINFHTCOKHQQDG-NVXWUHKLSA-N 2 0 275.440 2.493 10 0 CEAERP C[NH2+]Cc1cnc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000062971446 522148330 /nfs/dbraw/zinc/14/83/30/522148330.db2.gz MWPPZVWIWRUOLH-CYBMUJFWSA-N 2 0 294.830 2.129 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977299 522340155 /nfs/dbraw/zinc/34/01/55/522340155.db2.gz NQZNOAVHPRRITQ-YESZJQIVSA-N 2 0 290.455 2.276 10 0 CEAERP C[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(C)cc1 ZINC000062979305 522353293 /nfs/dbraw/zinc/35/32/93/522353293.db2.gz LZKRUULJAGIKNW-ROUUACIJSA-N 2 0 287.451 2.426 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812045 523071820 /nfs/dbraw/zinc/07/18/20/523071820.db2.gz ZBXASBARTODUNI-HIFRSBDPSA-N 2 0 287.407 2.316 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953208 523344435 /nfs/dbraw/zinc/34/44/35/523344435.db2.gz NBHXCDPBQPSZEG-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052572952 523621316 /nfs/dbraw/zinc/62/13/16/523621316.db2.gz CXCXSSCTSFLHQE-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794758 523824726 /nfs/dbraw/zinc/82/47/26/523824726.db2.gz XCONVDBULRQOFK-LLVKDONJSA-N 2 0 281.787 2.487 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052547284 523939732 /nfs/dbraw/zinc/93/97/32/523939732.db2.gz VHXCJWVPZRJTPB-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000055074714 523954612 /nfs/dbraw/zinc/95/46/12/523954612.db2.gz LYRJHTHJKQVICC-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055065562 523954814 /nfs/dbraw/zinc/95/48/14/523954814.db2.gz QHUHPTNRKAFRKS-GOEBONIOSA-N 2 0 261.413 2.103 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062978548 524029538 /nfs/dbraw/zinc/02/95/38/524029538.db2.gz NDVHQMPSHYECOK-ZWKOTPCHSA-N 2 0 287.451 2.419 10 0 CEAERP C[NH+](C)C1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016029 524040877 /nfs/dbraw/zinc/04/08/77/524040877.db2.gz KLPLGXUEUZSEPK-MRXNPFEDSA-N 2 0 261.413 2.103 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000049557280 524163045 /nfs/dbraw/zinc/16/30/45/524163045.db2.gz CLYICSXQXYCSBM-BXUZGUMPSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1C ZINC000068629860 524336853 /nfs/dbraw/zinc/33/68/53/524336853.db2.gz BUBKGUNDSUYVMO-NCOADZHNSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673540 524458024 /nfs/dbraw/zinc/45/80/24/524458024.db2.gz PHENOPYGHUDDPT-ZFWWWQNUSA-N 2 0 254.418 2.408 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642868 524471723 /nfs/dbraw/zinc/47/17/23/524471723.db2.gz BZHWANRHTMFNKH-SJORKVTESA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049554261 524476088 /nfs/dbraw/zinc/47/60/88/524476088.db2.gz VFKQYQAPVYWADX-RYUDHWBXSA-N 2 0 278.400 2.168 10 0 CEAERP C[C@@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049553774 524478277 /nfs/dbraw/zinc/47/82/77/524478277.db2.gz GDOIKWXPDWJFMG-DOTOQJQBSA-N 2 0 275.440 2.191 10 0 CEAERP C[C@@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125545 524602285 /nfs/dbraw/zinc/60/22/85/524602285.db2.gz IYYGACLSQZHPJF-QXSJWSMHSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](C[NH2+]C1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974545 524737179 /nfs/dbraw/zinc/73/71/79/524737179.db2.gz YDUNBTSEJQSAAL-HOCLYGCPSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644799 525024784 /nfs/dbraw/zinc/02/47/84/525024784.db2.gz WJJUEACOLQBSQL-VXGBXAGGSA-N 2 0 265.376 2.376 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@H](C)C[NH+]2CCCC2)cc1 ZINC000049189690 525027701 /nfs/dbraw/zinc/02/77/01/525027701.db2.gz WOSSZXIXGWROND-CHWSQXEVSA-N 2 0 290.411 2.312 10 0 CEAERP C[C@@H]([NH3+])c1ccc(OCC[NH+](C)C)c(Br)c1 ZINC000061699560 525029163 /nfs/dbraw/zinc/02/91/63/525029163.db2.gz NDLNURUUBZJEOU-SECBINFHSA-N 2 0 287.201 2.409 10 0 CEAERP C[C@H]1c2ccsc2CC[N@H+]1CC1(C[NH3+])CCOCC1 ZINC000052182363 525131395 /nfs/dbraw/zinc/13/13/95/525131395.db2.gz ZOWOXOQLRBTCTF-LBPRGKRZSA-N 2 0 280.437 2.423 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000068628186 525649985 /nfs/dbraw/zinc/64/99/85/525649985.db2.gz AYGCGLVDEONFFY-ZMSDIMECSA-N 2 0 279.472 2.168 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061643477 525962230 /nfs/dbraw/zinc/96/22/30/525962230.db2.gz ORALPECAFPCSHD-IAGOWNOFSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979148 526022985 /nfs/dbraw/zinc/02/29/85/526022985.db2.gz HJSDPJPRSAPZSX-XIRDDKMYSA-N 2 0 273.424 2.245 10 0 CEAERP C[C@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643530 526030718 /nfs/dbraw/zinc/03/07/18/526030718.db2.gz WSHBTVQHIKOEQX-BMFZPTHFSA-N 2 0 261.413 2.101 10 0 CEAERP c1ccc([C@@H](C[NH2+]C2CC2)N2CC[NH+](C3CC3)CC2)cc1 ZINC000052371432 526489177 /nfs/dbraw/zinc/48/91/77/526489177.db2.gz ZYZAHGWDDYBKCF-GOSISDBHSA-N 2 0 285.435 2.260 10 0 CEAERP c1ccc2c(c1)C[NH+](C[C@@H]1CC[C@@H](C[NH2+]C3CC3)O1)C2 ZINC000052374527 526506394 /nfs/dbraw/zinc/50/63/94/526506394.db2.gz YFUKXRXESIJFJR-IRXDYDNUSA-N 2 0 272.392 2.302 10 0 CEAERP NC(=[NH2+])c1cc(C[N@@H+]2CCCc3ccccc3C2)ccn1 ZINC000068761945 526819071 /nfs/dbraw/zinc/81/90/71/526819071.db2.gz GHQUZRSCCVWMKX-UHFFFAOYSA-N 2 0 280.375 2.314 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000054895644 526967481 /nfs/dbraw/zinc/96/74/81/526967481.db2.gz AJMNXNRXNRSSGC-SNVBAGLBSA-N 2 0 268.430 2.002 10 0 CEAERP [NH3+]C[C@H]1CCCCC[C@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758166 527229822 /nfs/dbraw/zinc/22/98/22/527229822.db2.gz KKXNLLPZCNZCDX-RBSFLKMASA-N 2 0 254.418 2.131 10 0 CEAERP [NH3+][C@H]1CCCc2nc(N3CC[NH+](CC4CC4)CC3)sc21 ZINC000054898782 527410305 /nfs/dbraw/zinc/41/03/05/527410305.db2.gz CRAQVAXNHXPFOG-LBPRGKRZSA-N 2 0 292.452 2.011 10 0 CEAERP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000262708608 535528598 /nfs/dbraw/zinc/52/85/98/535528598.db2.gz OBYBWYNJEDXUIV-XJKSGUPXSA-N 2 0 295.427 2.296 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757154275 574511128 /nfs/dbraw/zinc/51/11/28/574511128.db2.gz ZQQRGEFERCKWAT-CQSZACIVSA-N 2 0 252.402 2.223 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000261560402 623378766 /nfs/dbraw/zinc/37/87/66/623378766.db2.gz ZWIQATSHKBIPIQ-ZWKOTPCHSA-N 2 0 287.451 2.240 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000261560399 628939149 /nfs/dbraw/zinc/93/91/49/628939149.db2.gz ZWIQATSHKBIPIQ-MSOLQXFVSA-N 2 0 287.451 2.240 10 0 CEAERP C[N@H+](Cc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]CC1 ZINC000231454354 639854320 /nfs/dbraw/zinc/85/43/20/639854320.db2.gz CTTXWFBSVXRRNA-OAHLLOKOSA-N 2 0 260.381 2.195 10 0 CEAERP CCC[N@H+](CCCC[NH3+])[C@@H]1COc2cccc(OC)c2C1 ZINC000095831760 344237548 /nfs/dbraw/zinc/23/75/48/344237548.db2.gz ASKCPGCSHZDHDQ-AWEZNQCLSA-N 2 0 292.423 2.450 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136193220 344383940 /nfs/dbraw/zinc/38/39/40/344383940.db2.gz LHMLWLNGXSKWOS-ZBFHGGJFSA-N 2 0 283.460 2.145 10 0 CEAERP C[C@@H]1[C@H](N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000306886814 344718342 /nfs/dbraw/zinc/71/83/42/344718342.db2.gz SYRMWXVCJJWKNF-NVXWUHKLSA-N 2 0 287.451 2.333 10 0 CEAERP C[N@@H+](Cc1cccc2c1OCO2)C[C@H]1CCc2nccn2C1 ZINC000328657010 344757783 /nfs/dbraw/zinc/75/77/83/344757783.db2.gz ZXEWTEIMQOQKQB-CYBMUJFWSA-N 2 0 299.374 2.306 10 0 CEAERP CC(C)[NH+](CCNC(=O)CC1([NH3+])CCCCC1)C(C)C ZINC000084162013 178810214 /nfs/dbraw/zinc/81/02/14/178810214.db2.gz FEEXROAPUYNCHO-UHFFFAOYSA-N 2 0 283.460 2.273 10 0 CEAERP CCCC[NH+]1CCC(NC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084165443 178811310 /nfs/dbraw/zinc/81/13/10/178811310.db2.gz SWYVLTQLNMFOQV-UHFFFAOYSA-N 2 0 295.471 2.419 10 0 CEAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000177245175 232348518 /nfs/dbraw/zinc/34/85/18/232348518.db2.gz RKNWJLZFHIFFMT-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP OC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000097678102 185650539 /nfs/dbraw/zinc/65/05/39/185650539.db2.gz DSFLIBXWWXIKKG-SVXVCFNTSA-N 2 0 266.429 2.190 10 0 CEAERP CCC1CCC([N@H+](C)CCC[C@](C)(O)C[NH3+])CC1 ZINC000085301588 179010155 /nfs/dbraw/zinc/01/01/55/179010155.db2.gz MCWTXJFMIHFONO-NRXISQOPSA-N 2 0 256.434 2.377 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368420 179038287 /nfs/dbraw/zinc/03/82/87/179038287.db2.gz QICKJQTXKOVNAA-CVEARBPZSA-N 2 0 297.487 2.330 10 0 CEAERP CC(C)CO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1(C)C ZINC000085400649 179052034 /nfs/dbraw/zinc/05/20/34/179052034.db2.gz JONBWYBHFHGVQB-KKUMJFAQSA-N 2 0 268.445 2.367 10 0 CEAERP c1cnn(CC[N@@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)c1 ZINC000085403700 179053294 /nfs/dbraw/zinc/05/32/94/179053294.db2.gz ASQWGLXKKLOZKV-MRXNPFEDSA-N 2 0 276.428 2.127 10 0 CEAERP C[N@@H+]1CCC[C@@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572139 179097610 /nfs/dbraw/zinc/09/76/10/179097610.db2.gz HRGGAZWSDOUBBM-GFCCVEGCSA-N 2 0 276.428 2.093 10 0 CEAERP CC[N@@H+]1CCC[C@H]1Cn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085568683 179095044 /nfs/dbraw/zinc/09/50/44/179095044.db2.gz WTXYTZPEZGFRIU-ZDUSSCGKSA-N 2 0 276.428 2.137 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)nc2)CC1 ZINC000100267982 185710722 /nfs/dbraw/zinc/71/07/22/185710722.db2.gz SEITXGBMUXFZHT-PHIMTYICSA-N 2 0 284.201 2.204 10 0 CEAERP CC[C@@](C[NH3+])(C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086120759 179234691 /nfs/dbraw/zinc/23/46/91/179234691.db2.gz OABNIRHVGPHSBU-JKSUJKDBSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086172523 179244095 /nfs/dbraw/zinc/24/40/95/179244095.db2.gz QGASANBRWDEDOY-BZUAXINKSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146718 179238804 /nfs/dbraw/zinc/23/88/04/179238804.db2.gz NMSASDWPCUKWEC-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182719 179247959 /nfs/dbraw/zinc/24/79/59/179247959.db2.gz NZPUTSGJLVVONJ-FGTMMUONSA-N 2 0 293.499 2.425 10 0 CEAERP CCC[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223178 179252560 /nfs/dbraw/zinc/25/25/60/179252560.db2.gz UUWDXNWAEUYIHU-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224013 179253795 /nfs/dbraw/zinc/25/37/95/179253795.db2.gz GCKFSOSLVDFSLD-HRCADAONSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@]1(C)CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182515 179247830 /nfs/dbraw/zinc/24/78/30/179247830.db2.gz PLNOWBBZXJQSSM-BBWFWOEESA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@]1(C)CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259595 179258177 /nfs/dbraw/zinc/25/81/77/179258177.db2.gz PJDKVFQODQMQJL-IXDOHACOSA-N 2 0 279.472 2.322 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259350 179258346 /nfs/dbraw/zinc/25/83/46/179258346.db2.gz SKDWAHDFPPVYNS-JYJNAYRXSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259340 179258644 /nfs/dbraw/zinc/25/86/44/179258644.db2.gz RZVUWVANHKMODE-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260730 179259723 /nfs/dbraw/zinc/25/97/23/179259723.db2.gz TXOHEJOTPDKCFQ-BPQIPLTHSA-N 2 0 293.499 2.425 10 0 CEAERP CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261063 179259734 /nfs/dbraw/zinc/25/97/34/179259734.db2.gz LDCLFJYJWFZDJN-CVEARBPZSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086260752 179259963 /nfs/dbraw/zinc/25/99/63/179259963.db2.gz QVBREKUBJAPEHT-BBWFWOEESA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)(C)[C@@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288187 179264733 /nfs/dbraw/zinc/26/47/33/179264733.db2.gz XNSRYPMAXQESFA-HNNXBMFYSA-N 2 0 261.413 2.334 10 0 CEAERP CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258987 179256491 /nfs/dbraw/zinc/25/64/91/179256491.db2.gz OCCCFKPOWXVNRM-IRXDYDNUSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291661 179266132 /nfs/dbraw/zinc/26/61/32/179266132.db2.gz LMBVTENBKFTTNN-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP COC[C@H](C)C[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293193 179266476 /nfs/dbraw/zinc/26/64/76/179266476.db2.gz MQPJRMMRXCWHFN-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293502 179267524 /nfs/dbraw/zinc/26/75/24/179267524.db2.gz NLBYXSPJTXIWOZ-BARDWOONSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N3CCC[C@@H]3C[NH+](C)C)nc21 ZINC000086443984 179294167 /nfs/dbraw/zinc/29/41/67/179294167.db2.gz UJUSBJWCEVKDDD-NEPJUHHUSA-N 2 0 294.468 2.270 10 0 CEAERP CCC[NH+]1CCC(O)([C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000086666671 179317387 /nfs/dbraw/zinc/31/73/87/179317387.db2.gz NJGCFFMHNDPYHI-OAHLLOKOSA-N 2 0 260.381 2.068 10 0 CEAERP CCN(c1ccccc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819231 179348453 /nfs/dbraw/zinc/34/84/53/179348453.db2.gz BAACUYMLPNRWEJ-INIZCTEOSA-N 2 0 261.413 2.326 10 0 CEAERP COCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)c1 ZINC000086818818 179346819 /nfs/dbraw/zinc/34/68/19/179346819.db2.gz JXMAHYGOCIJNIY-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCCc2c[nH]nc2C)CC1 ZINC000086843821 179352586 /nfs/dbraw/zinc/35/25/86/179352586.db2.gz VECHIAPVTCUARQ-OAHLLOKOSA-N 2 0 264.417 2.115 10 0 CEAERP CCC[N@@H+]1CCC[C@@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868228 179360225 /nfs/dbraw/zinc/36/02/25/179360225.db2.gz IRPQZZDMTQEXCZ-OAHLLOKOSA-N 2 0 254.418 2.146 10 0 CEAERP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086851067 179358933 /nfs/dbraw/zinc/35/89/33/179358933.db2.gz QODXCGNIVPCJOH-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947884 179368641 /nfs/dbraw/zinc/36/86/41/179368641.db2.gz DZTFRXVFJYZKHJ-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CCC1CCC(O)(C[NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000087053287 179389031 /nfs/dbraw/zinc/38/90/31/179389031.db2.gz DKMCLGPKZBOZOE-UHFFFAOYSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]1CCC[C@@](O)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000087064895 179389987 /nfs/dbraw/zinc/38/99/87/179389987.db2.gz HWMFFINWOATIEN-GJZGRUSLSA-N 2 0 254.418 2.003 10 0 CEAERP COCC1CC[NH+](C[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087706306 179474232 /nfs/dbraw/zinc/47/42/32/179474232.db2.gz INABMCJTRYZVSI-UONOGXRCSA-N 2 0 256.434 2.498 10 0 CEAERP CCC[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000087521781 179439596 /nfs/dbraw/zinc/43/95/96/179439596.db2.gz DHCZROJPGRXQPB-CYBMUJFWSA-N 2 0 263.385 2.062 10 0 CEAERP C[NH2+]C[C@H](OC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000088166348 179561439 /nfs/dbraw/zinc/56/14/39/179561439.db2.gz TVBJODZENFKBMU-CVEARBPZSA-N 2 0 262.397 2.448 10 0 CEAERP CCCc1nc(N(C)CCC[NH+](C)C)sc1C[NH2+]C ZINC000104189069 185921063 /nfs/dbraw/zinc/92/10/63/185921063.db2.gz ZLJHLWXKQACSNU-UHFFFAOYSA-N 2 0 284.473 2.203 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400335275 233176755 /nfs/dbraw/zinc/17/67/55/233176755.db2.gz DARCQEMPPFRNIQ-OCCSQVGLSA-N 2 0 250.361 2.264 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000234801604 539740313 /nfs/dbraw/zinc/74/03/13/539740313.db2.gz VAVKMPIYUWDHBZ-JQWIXIFHSA-N 2 0 272.339 2.369 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+][C@@H](C)c1sc(C)nc1C ZINC000090566484 180005259 /nfs/dbraw/zinc/00/52/59/180005259.db2.gz PDMDXWKLAAHHDX-ZLKJLUDKSA-N 2 0 297.468 2.425 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CCC)CC1CC1 ZINC000090566419 180005516 /nfs/dbraw/zinc/00/55/16/180005516.db2.gz FWYXDGBFEBFZIN-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566572 180006302 /nfs/dbraw/zinc/00/63/02/180006302.db2.gz OHLXFIMDKJQNKN-GDBMZVCRSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)CCc1ccccc1 ZINC000090567215 180006369 /nfs/dbraw/zinc/00/63/69/180006369.db2.gz CVFNZEFDSFSCRR-DLBZAZTESA-N 2 0 276.424 2.176 10 0 CEAERP C[C@@]1(C[NH+]2CCC3(CCCCC3)CC2)COC[C@@H]1[NH3+] ZINC000090620934 180013888 /nfs/dbraw/zinc/01/38/88/180013888.db2.gz RXWODWOQUZEYRB-LSDHHAIUSA-N 2 0 266.429 2.397 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cscn2)CC1 ZINC000104447526 186006348 /nfs/dbraw/zinc/00/63/48/186006348.db2.gz GKYFCXBNROJQLJ-NSHDSACASA-N 2 0 253.415 2.353 10 0 CEAERP C[C@@H]1CC[NH2+]C(C)(C)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878332 180051716 /nfs/dbraw/zinc/05/17/16/180051716.db2.gz DVYXFIKZNFAUTB-HIFRSBDPSA-N 2 0 274.408 2.453 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900115 180059106 /nfs/dbraw/zinc/05/91/06/180059106.db2.gz PPKAXCSICBSBIM-FZMZJTMJSA-N 2 0 280.799 2.185 10 0 CEAERP CC(C)[C@H](CC[NH3+])CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908687 180062466 /nfs/dbraw/zinc/06/24/66/180062466.db2.gz IQZBUUCPXHRZFL-SOUVJXGZSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)C[NH2+]Cc1cccn1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000091001807 180083420 /nfs/dbraw/zinc/08/34/20/180083420.db2.gz FSCOAWHMZRNZPT-QGZVFWFLSA-N 2 0 293.455 2.343 10 0 CEAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019734 180088319 /nfs/dbraw/zinc/08/83/19/180088319.db2.gz DUTBIGTUQHOLAZ-RYUDHWBXSA-N 2 0 258.369 2.122 10 0 CEAERP [NH3+]CC1(C2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000669376910 539758041 /nfs/dbraw/zinc/75/80/41/539758041.db2.gz AXSYSDIHJYGIAF-UHFFFAOYSA-N 2 0 274.408 2.143 10 0 CEAERP C[N@H+](CC[C@H]1CSCC[NH2+]1)Cc1ccccc1 ZINC000091291968 180123205 /nfs/dbraw/zinc/12/32/05/180123205.db2.gz JDINZVQYQNRGAD-AWEZNQCLSA-N 2 0 250.411 2.214 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490560 180170109 /nfs/dbraw/zinc/17/01/09/180170109.db2.gz UXSNZQSQGADDKF-GRAKBVBRSA-N 2 0 268.445 2.248 10 0 CEAERP C[NH2+][C@@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000091393111 180145633 /nfs/dbraw/zinc/14/56/33/180145633.db2.gz IEJMXUUGUWOUKE-IRXDYDNUSA-N 2 0 275.440 2.282 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393075 180145716 /nfs/dbraw/zinc/14/57/16/180145716.db2.gz YWFFRHVAOUYVEB-HOCLYGCPSA-N 2 0 293.480 2.434 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091394164 180145825 /nfs/dbraw/zinc/14/58/25/180145825.db2.gz VCANQUCNAHDXQW-JKSUJKDBSA-N 2 0 291.439 2.029 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000091404642 180146989 /nfs/dbraw/zinc/14/69/89/180146989.db2.gz AZFIQVPYAYNIMT-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)([C@@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567571 180194837 /nfs/dbraw/zinc/19/48/37/180194837.db2.gz UOKBFMOEDMYCQI-HNNXBMFYSA-N 2 0 277.412 2.222 10 0 CEAERP Cc1ccc(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720585 180236530 /nfs/dbraw/zinc/23/65/30/180236530.db2.gz JILSWROLSNWTIM-IKGGRYGDSA-N 2 0 274.408 2.036 10 0 CEAERP Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C1CC1 ZINC000091723154 180241354 /nfs/dbraw/zinc/24/13/54/180241354.db2.gz LFKIHHXDPBCYTJ-CHWSQXEVSA-N 2 0 293.436 2.239 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCN(C)CC1 ZINC000091849843 180272344 /nfs/dbraw/zinc/27/23/44/180272344.db2.gz UBMGGQKDSCGHPA-SLTAFYQDSA-N 2 0 253.434 2.063 10 0 CEAERP CCC[N@H+](CCCn1ccnc1)C1CCC([NH3+])CC1 ZINC000091852347 180273179 /nfs/dbraw/zinc/27/31/79/180273179.db2.gz LZRLMJHXESXJNA-UHFFFAOYSA-N 2 0 264.417 2.255 10 0 CEAERP CC(C)[C@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844001 180269373 /nfs/dbraw/zinc/26/93/73/180269373.db2.gz LAYPZJAHGSFMDH-NEXFUWMNSA-N 2 0 254.418 2.392 10 0 CEAERP CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1CCC([NH3+])CC1 ZINC000091850707 180272010 /nfs/dbraw/zinc/27/20/10/180272010.db2.gz SKSNZGMUQKSAAP-UHFFFAOYSA-N 2 0 283.460 2.224 10 0 CEAERP CC[N@H+](Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091849721 180272288 /nfs/dbraw/zinc/27/22/88/180272288.db2.gz MPKPAVDVTMHJBC-UHFFFAOYSA-N 2 0 272.396 2.426 10 0 CEAERP CC[C@H]1C[C@@H]([N@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871215 180276930 /nfs/dbraw/zinc/27/69/30/180276930.db2.gz YBAPTFZJTLQDPF-WUCCLRPBSA-N 2 0 254.418 2.406 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)NC(C)C)CC1 ZINC000091870213 180277309 /nfs/dbraw/zinc/27/73/09/180277309.db2.gz CRBSCFRLNMZBGI-NFOMZHRRSA-N 2 0 283.460 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccccc2C)CC1 ZINC000091870546 180277347 /nfs/dbraw/zinc/27/73/47/180277347.db2.gz DGXNKDYPJIVLOE-UHFFFAOYSA-N 2 0 289.423 2.396 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@@H](O)COC(C)C)CC1 ZINC000091870055 180277378 /nfs/dbraw/zinc/27/73/78/180277378.db2.gz SRLYOFGENIWCTO-UYSNPLJNSA-N 2 0 286.460 2.015 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@H]2Cc3ccccc3O2)CC1 ZINC000091870660 180277519 /nfs/dbraw/zinc/27/75/19/180277519.db2.gz JVQLMEATVXUTBJ-UYSNPLJNSA-N 2 0 274.408 2.453 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)Cc2cnn(C)c2)CC1 ZINC000091870026 180277538 /nfs/dbraw/zinc/27/75/38/180277538.db2.gz VQHGJMJJQRWECV-UHFFFAOYSA-N 2 0 264.417 2.163 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)nc1C[NH2+]C1CC1 ZINC000091995885 180302053 /nfs/dbraw/zinc/30/20/53/180302053.db2.gz QNUUUPQDJBVJRX-UHFFFAOYSA-N 2 0 277.412 2.363 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002955 180304628 /nfs/dbraw/zinc/30/46/28/180304628.db2.gz AQDOCPLFRAMXJF-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+]CC1(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000092003005 180304646 /nfs/dbraw/zinc/30/46/46/180304646.db2.gz MRYXDFMRJINSJK-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092082583 180319317 /nfs/dbraw/zinc/31/93/17/180319317.db2.gz OLVCKUQLMXJOJK-OWCLPIDISA-N 2 0 267.461 2.166 10 0 CEAERP C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082141 180319690 /nfs/dbraw/zinc/31/96/90/180319690.db2.gz LCFCJPOCONEKMJ-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP CCC[NH2+]CC1(C[NH+]2C[C@H](C)[C@@H](C)C2)CCOCC1 ZINC000092088580 180321092 /nfs/dbraw/zinc/32/10/92/180321092.db2.gz YWXXWXHFNRXDQL-GJZGRUSLSA-N 2 0 268.445 2.371 10 0 CEAERP CC(C)[NH2+]CC1(C[NH+]2C[C@H](C)[C@@H](C)C2)CCOCC1 ZINC000092088680 180321353 /nfs/dbraw/zinc/32/13/53/180321353.db2.gz IWAZNXZOBGRNJF-GJZGRUSLSA-N 2 0 268.445 2.369 10 0 CEAERP CC[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302670 180359330 /nfs/dbraw/zinc/35/93/30/180359330.db2.gz AZPUGXIHNJPWOH-LSDHHAIUSA-N 2 0 274.408 2.484 10 0 CEAERP CC[NH+](CC)CCC[NH2+]CCOc1ccc(OC)cc1 ZINC000105923935 186090556 /nfs/dbraw/zinc/09/05/56/186090556.db2.gz QXPVMVOJWMZNEL-UHFFFAOYSA-N 2 0 280.412 2.396 10 0 CEAERP COc1ccc(OCC[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000105927120 186092621 /nfs/dbraw/zinc/09/26/21/186092621.db2.gz UHPCCFYYWJYLFG-UHFFFAOYSA-N 2 0 280.412 2.251 10 0 CEAERP Cc1cc(NS(=O)(=O)c2cccc([C@@H](C)[NH3+])c2)cc[nH+]1 ZINC000092364751 180368014 /nfs/dbraw/zinc/36/80/14/180368014.db2.gz XTLTVQHJJHXBGV-LLVKDONJSA-N 2 0 291.376 2.211 10 0 CEAERP CCC[C@H](Cc1nc(CC[NH+](CC)CC)no1)[NH2+]CC ZINC000109496161 186256420 /nfs/dbraw/zinc/25/64/20/186256420.db2.gz BPTZCTPHNWBEDX-CYBMUJFWSA-N 2 0 282.432 2.275 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000109684680 186269142 /nfs/dbraw/zinc/26/91/42/186269142.db2.gz ISUZKRBSERKQTD-RBSFLKMASA-N 2 0 282.428 2.169 10 0 CEAERP CCC[C@H](C)C[NH+]1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109461715 186253855 /nfs/dbraw/zinc/25/38/55/186253855.db2.gz MDRULEOIQKWAQW-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](C[C@@H](C)CCC)CC1 ZINC000109461721 186254001 /nfs/dbraw/zinc/25/40/01/186254001.db2.gz MDRULEOIQKWAQW-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH2+]Cc1sc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc1C ZINC000110275732 186289381 /nfs/dbraw/zinc/28/93/81/186289381.db2.gz ACQRZVKYVJEAGX-CYBMUJFWSA-N 2 0 294.468 2.236 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370620 186294556 /nfs/dbraw/zinc/29/45/56/186294556.db2.gz SDWVAGPRPIDFIV-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000110618371 186304872 /nfs/dbraw/zinc/30/48/72/186304872.db2.gz OZWYHYPCQKNBPM-GPANFISMSA-N 2 0 295.471 2.084 10 0 CEAERP CCn1cc([C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000110645690 186308905 /nfs/dbraw/zinc/30/89/05/186308905.db2.gz LSDHHTFNEHSMFD-NEPJUHHUSA-N 2 0 250.390 2.023 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1F ZINC000110976858 186339257 /nfs/dbraw/zinc/33/92/57/186339257.db2.gz JFMCBZIWKPESEA-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977709 186339491 /nfs/dbraw/zinc/33/94/91/186339491.db2.gz FGJIRASYYSDQQZ-MRXNPFEDSA-N 2 0 281.419 2.408 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccc(C)cc2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703760 186314300 /nfs/dbraw/zinc/31/43/00/186314300.db2.gz MTFWTTXJOQEDSZ-DJIMGWMZSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CC[N@@H+]1C ZINC000110703800 186314814 /nfs/dbraw/zinc/31/48/14/186314814.db2.gz IOYQCNVWIJIRCA-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH3+])c2cccc3ccccc32)CC[N@@H+]1C ZINC000110708473 186315007 /nfs/dbraw/zinc/31/50/07/186315007.db2.gz LUMXZPOGNXNPQA-KDOFPFPSSA-N 2 0 283.419 2.476 10 0 CEAERP CC(C)c1ccc([C@@H]([NH3+])CN2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110712416 186315554 /nfs/dbraw/zinc/31/55/54/186315554.db2.gz UUPHYJDMWJHDRR-YOEHRIQHSA-N 2 0 275.440 2.446 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110717336 186315573 /nfs/dbraw/zinc/31/55/73/186315573.db2.gz JCRKTGOWYGNBMN-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716612 186315655 /nfs/dbraw/zinc/31/56/55/186315655.db2.gz GIUHMODRFGMGJH-DLBZAZTESA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715227 186316062 /nfs/dbraw/zinc/31/60/62/186316062.db2.gz ROGZOVVTPFURRA-UAGQMJEPSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@@H]1CN(C2(C[NH3+])CCCCCC2)CC[N@@H+]1C ZINC000110711109 186316094 /nfs/dbraw/zinc/31/60/94/186316094.db2.gz ORTNDBMAUBUWHQ-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110711571 186316694 /nfs/dbraw/zinc/31/66/94/186316694.db2.gz YOQNYQAMXDABHW-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CC[N@@H+]1CCN(CC2(C[NH2+]C3CC3)CCCC2)C[C@@H]1C ZINC000110745617 186318719 /nfs/dbraw/zinc/31/87/19/186318719.db2.gz QDNGPLOLKRKBKH-HNNXBMFYSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC000110746644 186318965 /nfs/dbraw/zinc/31/89/65/186318965.db2.gz UBCAPFXQLSQEDP-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110754363 186319774 /nfs/dbraw/zinc/31/97/74/186319774.db2.gz QLMYOEIKACBRPR-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@@]1(CN2CC[N@H+](C)C(C)(C)C2)CCC[NH2+]C1 ZINC000110763028 186323302 /nfs/dbraw/zinc/32/33/02/186323302.db2.gz CLWXMBSBLDRPJB-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039981 186346444 /nfs/dbraw/zinc/34/64/44/186346444.db2.gz NIOXRNLPPKYJBB-OAHLLOKOSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH2+]C[C@@H](c1ccccc1)N(C)CC[NH+](C)C ZINC000111149913 186360479 /nfs/dbraw/zinc/36/04/79/186360479.db2.gz ZEAVWCWGMBVNGA-KRWDZBQOSA-N 2 0 277.456 2.467 10 0 CEAERP C[C@H]1CCCC[C@H]1[NH2+]CCN(C)CCC[NH+](C)C ZINC000111151116 186360916 /nfs/dbraw/zinc/36/09/16/186360916.db2.gz XDMQFTLFQVOQTD-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP C[N@@H+](Cc1ccc(C[NH3+])cc1F)CC1CCOCC1 ZINC000111157452 186361382 /nfs/dbraw/zinc/36/13/82/186361382.db2.gz KSOJMPGHCWGRKW-UHFFFAOYSA-N 2 0 266.360 2.143 10 0 CEAERP C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157298 186361459 /nfs/dbraw/zinc/36/14/59/186361459.db2.gz AQJIZVLKFDDBEU-RRFJBIMHSA-N 2 0 254.418 2.252 10 0 CEAERP CC(C)Oc1cccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133964 186356064 /nfs/dbraw/zinc/35/60/64/186356064.db2.gz KFTLCWITZHYCMU-KRWDZBQOSA-N 2 0 293.455 2.357 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111131678 186356443 /nfs/dbraw/zinc/35/64/43/186356443.db2.gz GLYRVUGTWMHKEI-JSGCOSHPSA-N 2 0 269.458 2.328 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(C)CC[NH+](C)C ZINC000111130218 186356641 /nfs/dbraw/zinc/35/66/41/186356641.db2.gz XPBIEAFUARCZPF-BXUZGUMPSA-N 2 0 269.820 2.222 10 0 CEAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CCC[NH+](C)C ZINC000111136771 186357686 /nfs/dbraw/zinc/35/76/86/186357686.db2.gz SMRGOODIILGJTA-RHSMWYFYSA-N 2 0 293.455 2.228 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136316 186357695 /nfs/dbraw/zinc/35/76/95/186357695.db2.gz OEYUWMGDZZCBLF-IRXDYDNUSA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)CC[NH+](C)C ZINC000111134624 186357939 /nfs/dbraw/zinc/35/79/39/186357939.db2.gz JBARFBNHAHLFNR-KFWWJZLASA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136743 186357979 /nfs/dbraw/zinc/35/79/79/186357979.db2.gz BTBXRNLDSOUIOT-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CN(CCC[NH+](C)C)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000111149188 186358612 /nfs/dbraw/zinc/35/86/12/186358612.db2.gz SAAKHFALEKYPLH-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP C[NH2+]Cc1cc(N(C)CCC[NH+](C)C)c2ccccc2n1 ZINC000111149244 186358910 /nfs/dbraw/zinc/35/89/10/186358910.db2.gz ZENGTUBENGYRHS-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000111149899 186359981 /nfs/dbraw/zinc/35/99/81/186359981.db2.gz RZFFRDYXUYQTOU-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149711 186360030 /nfs/dbraw/zinc/36/00/30/186360030.db2.gz KIRULIKFJYHBLR-ZDUSSCGKSA-N 2 0 292.427 2.382 10 0 CEAERP CN(CC[NH+](C)C)c1nc2c(s1)[C@H]([NH3+])CC(C)(C)C2 ZINC000111151305 186360133 /nfs/dbraw/zinc/36/01/33/186360133.db2.gz MHSVHSNOMIYRJH-SNVBAGLBSA-N 2 0 282.457 2.113 10 0 CEAERP C[NH2+]Cc1oc2ccccc2c1CN(C)CC[NH+](C)C ZINC000111149782 186360341 /nfs/dbraw/zinc/36/03/41/186360341.db2.gz UKOCNAKVQMUQPH-UHFFFAOYSA-N 2 0 275.396 2.146 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171737 186364778 /nfs/dbraw/zinc/36/47/78/186364778.db2.gz BNQBTMKJYYITSY-ZNMIVQPWSA-N 2 0 254.418 2.123 10 0 CEAERP CCC1(C[N@H+](C)C[C@H]2CCCOC2)CC[NH2+]CC1 ZINC000111179190 186366700 /nfs/dbraw/zinc/36/67/00/186366700.db2.gz BWUAENDPGXAXNY-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327408 186398853 /nfs/dbraw/zinc/39/88/53/186398853.db2.gz GJPBOACUUIPACI-QGZVFWFLSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]C[C@]1(C[N@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325454 186398937 /nfs/dbraw/zinc/39/89/37/186398937.db2.gz DBVXUIUELQRZIX-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)(C)[NH2+]CC1CC[NH+](CC(=O)NC2CCCC2)CC1 ZINC000111697118 186444853 /nfs/dbraw/zinc/44/48/53/186444853.db2.gz YPULSVVBRYDGJI-UHFFFAOYSA-N 2 0 295.471 2.145 10 0 CEAERP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000111697539 186446320 /nfs/dbraw/zinc/44/63/20/186446320.db2.gz GVSFXPJIVUUJJT-OAHLLOKOSA-N 2 0 297.487 2.201 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CCCCN1CC[NH+]1CCCC1 ZINC000111704747 186447587 /nfs/dbraw/zinc/44/75/87/186447587.db2.gz QDNUPKKWWFYVCR-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP c1ccc([C@H]2C[C@H]2[NH2+]CCCOC2CC[NH2+]CC2)cc1 ZINC000111803673 186459205 /nfs/dbraw/zinc/45/92/05/186459205.db2.gz AEADCWMYVPJXBV-IAGOWNOFSA-N 2 0 274.408 2.291 10 0 CEAERP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000388991227 540336558 /nfs/dbraw/zinc/33/65/58/540336558.db2.gz CFHRZHYNFXGBIV-OAGGEKHMSA-N 2 0 268.445 2.392 10 0 CEAERP O[C@@H](C[NH2+]CCc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000298269715 200378068 /nfs/dbraw/zinc/37/80/68/200378068.db2.gz GFJXISHYSULWGH-INIZCTEOSA-N 2 0 296.842 2.319 10 0 CEAERP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000580289941 366776004 /nfs/dbraw/zinc/77/60/04/366776004.db2.gz NVLAMCCPLILZKJ-UKRRQHHQSA-N 2 0 262.397 2.215 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000100267987 364543733 /nfs/dbraw/zinc/54/37/33/364543733.db2.gz OCQGLCWRLONXOQ-DTORHVGOSA-N 2 0 275.183 2.143 10 0 CEAERP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000631841174 367583138 /nfs/dbraw/zinc/58/31/38/367583138.db2.gz ZGSTTWYMXCBVRD-GXTWGEPZSA-N 2 0 271.364 2.368 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000262590668 284006609 /nfs/dbraw/zinc/00/66/09/284006609.db2.gz UTLACDMGIJSFLR-ZOBUZTSGSA-N 2 0 289.423 2.066 10 0 CEAERP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000246513168 370971203 /nfs/dbraw/zinc/97/12/03/370971203.db2.gz QQTDSRSFUXGIOQ-KGLIPLIRSA-N 2 0 283.460 2.131 10 0 CEAERP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000220360660 370232332 /nfs/dbraw/zinc/23/23/32/370232332.db2.gz AGXLLQHNNQSFJH-QZTJIDSGSA-N 2 0 287.451 2.192 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792259 371734386 /nfs/dbraw/zinc/73/43/86/371734386.db2.gz GHECCHOIYBJQQP-DZUCGIPZSA-N 2 0 280.456 2.248 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccn(-c4ccccc4)n3)C[C@@H]12 ZINC000261680934 371699159 /nfs/dbraw/zinc/69/91/59/371699159.db2.gz MKGYIEXWZOEMSO-KBRIMQKVSA-N 2 0 282.391 2.041 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000263316750 371934528 /nfs/dbraw/zinc/93/45/28/371934528.db2.gz ZOXFZWWNZQIPLG-SHPPOPEUSA-N 2 0 294.826 2.146 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000423105583 376998298 /nfs/dbraw/zinc/99/82/98/376998298.db2.gz QVWCMCMQVCKGBP-YZIJQKGNSA-N 2 0 252.402 2.063 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCc3ccccc3CC2)O1 ZINC000079575708 184593895 /nfs/dbraw/zinc/59/38/95/184593895.db2.gz FFTWRRKFMDMQGD-ZWKOTPCHSA-N 2 0 288.435 2.244 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCCC[N@H+](C)CC1CC1 ZINC000085241289 184608918 /nfs/dbraw/zinc/60/89/18/184608918.db2.gz OMTNZFPXUDBTCJ-OAHLLOKOSA-N 2 0 256.434 2.249 10 0 CEAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCC(O)CC1 ZINC000093495967 184685569 /nfs/dbraw/zinc/68/55/69/184685569.db2.gz ROXFGGDUJPRXIQ-FGZQJIAISA-N 2 0 254.418 2.190 10 0 CEAERP CC(C)[NH+](CCN[C@H](C)C[C@@H]1CCC[NH2+]1)C(C)C ZINC000093462008 184678103 /nfs/dbraw/zinc/67/81/03/184678103.db2.gz ONKNOMQHYFKPHY-CABCVRRESA-N 2 0 255.450 2.225 10 0 CEAERP C[NH+](C)C1CCN([C@@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640891 177834967 /nfs/dbraw/zinc/83/49/67/177834967.db2.gz ZWGVZDVXINLTDK-WBVHZDCISA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@H]1CC[C@@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000080462737 177654749 /nfs/dbraw/zinc/65/47/49/177654749.db2.gz ANUJWMGICOWAKU-NVXWUHKLSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1[C@@H](C[NH3+])C1CCCCC1 ZINC000094458275 184804689 /nfs/dbraw/zinc/80/46/89/184804689.db2.gz ZEBDPALZXTZZBP-BMFZPTHFSA-N 2 0 265.445 2.063 10 0 CEAERP C[NH2+][C@@H]1[C@@H]([NH+]2CCC(OC)CC2)CCCC1(C)C ZINC000094273626 184774298 /nfs/dbraw/zinc/77/42/98/184774298.db2.gz WFVDWTQLVRNKOO-UONOGXRCSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@@H]1[C@H](CN(C)CC[NH+](C)C)CCC1(C)C ZINC000094318727 184779867 /nfs/dbraw/zinc/77/98/67/184779867.db2.gz DOLMMDZELSCORU-LSDHHAIUSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@](C)(CO)CCC[N@@H+]1CCC(C)(C)C1 ZINC000094813598 184872860 /nfs/dbraw/zinc/87/28/60/184872860.db2.gz VUSPBOXIAQPCJE-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP C[C@@H]([NH3+])Cc1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091432994 135069998 /nfs/dbraw/zinc/06/99/98/135069998.db2.gz NXGQPAJDUXGYHD-HIFRSBDPSA-N 2 0 261.413 2.107 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094443186 135088565 /nfs/dbraw/zinc/08/85/65/135088565.db2.gz ITAVFVINNVOKCY-MRXNPFEDSA-N 2 0 288.439 2.254 10 0 CEAERP Brc1cccc(CC[NH2+]C2CC[NH2+]CC2)c1 ZINC000259011124 394599775 /nfs/dbraw/zinc/59/97/75/394599775.db2.gz NPOJGCYDHBZMRI-UHFFFAOYSA-N 2 0 283.213 2.333 10 0 CEAERP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532344 394602008 /nfs/dbraw/zinc/60/20/08/394602008.db2.gz AGXLLQHNNQSFJH-MSOLQXFVSA-N 2 0 287.451 2.192 10 0 CEAERP C[C@@]1(CNC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887051 395227870 /nfs/dbraw/zinc/22/78/70/395227870.db2.gz JPHRHWZVFOMXPT-SFHVURJKSA-N 3 0 287.451 2.383 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000647796863 395756452 /nfs/dbraw/zinc/75/64/52/395756452.db2.gz QBECDYAOAMCBSK-GTDBDLECSA-N 2 0 266.429 2.168 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156003 400536126 /nfs/dbraw/zinc/53/61/26/400536126.db2.gz YAIFTVRPCIQIOW-LXTVHRRPSA-N 2 0 264.413 2.147 10 0 CEAERP [NH3+]CC[C@@H](COc1ccc(F)cc1)[NH+]1CCCC1 ZINC000020401979 171182111 /nfs/dbraw/zinc/18/21/11/171182111.db2.gz BTKCEDDDSUEFOG-ZDUSSCGKSA-N 2 0 252.333 2.018 10 0 CEAERP CCCCCC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000020520501 171233939 /nfs/dbraw/zinc/23/39/39/171233939.db2.gz JAFJWVRAAXLHGG-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022170812 171368204 /nfs/dbraw/zinc/36/82/04/171368204.db2.gz CFOPUBWCCUUCPY-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022217921 171376453 /nfs/dbraw/zinc/37/64/53/171376453.db2.gz DTMXQBCIOHLASQ-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022217925 171376473 /nfs/dbraw/zinc/37/64/73/171376473.db2.gz DTMXQBCIOHLASQ-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074280 287268409 /nfs/dbraw/zinc/26/84/09/287268409.db2.gz UTXLNDOKVMZPEG-WLYUNCDWSA-N 3 0 253.434 2.110 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCO2)C1 ZINC000037210354 173033221 /nfs/dbraw/zinc/03/32/21/173033221.db2.gz PCMHQVNOOZQXSS-ILXRZTDVSA-N 2 0 254.418 2.266 10 0 CEAERP c1ccc([C@H](CNC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000038040630 174040869 /nfs/dbraw/zinc/04/08/69/174040869.db2.gz AJEFVVIDESRCET-KRWDZBQOSA-N 2 0 273.424 2.165 10 0 CEAERP CCN(CC)C(=O)CCC[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748251 174393036 /nfs/dbraw/zinc/39/30/36/174393036.db2.gz RIPSBXDHTHJUKI-XYPWUTKMSA-N 2 0 295.471 2.240 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000309743090 414855947 /nfs/dbraw/zinc/85/59/47/414855947.db2.gz SPWOPCYVMWSNLU-KRWDZBQOSA-N 3 0 287.451 2.240 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N(CC[NH+](C)C)CC(C)C ZINC000043341173 175015157 /nfs/dbraw/zinc/01/51/57/175015157.db2.gz CUBRQQIRYIOYPJ-DOTOQJQBSA-N 2 0 292.471 2.380 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000043363793 175024312 /nfs/dbraw/zinc/02/43/12/175024312.db2.gz JPGMKMXMVKODCQ-DOMZBBRYSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[NH+](C(C)(C)C)CC2)o1 ZINC000043364755 175025405 /nfs/dbraw/zinc/02/54/05/175025405.db2.gz IATQMCIWHKZAIG-ZFWWWQNUSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806218 175108569 /nfs/dbraw/zinc/10/85/69/175108569.db2.gz LWSAUPAVYSPACN-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(OC)c(CN2CCC[N@H+](C)CC2)c1 ZINC000043818274 175112787 /nfs/dbraw/zinc/11/27/87/175112787.db2.gz VVGWJSIJLCLYDL-AWEZNQCLSA-N 2 0 291.439 2.113 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1[NH+]1CCC(OC)CC1 ZINC000043889930 175117813 /nfs/dbraw/zinc/11/78/13/175117813.db2.gz ADEZPPONPWIKGT-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043896972 175119833 /nfs/dbraw/zinc/11/98/33/175119833.db2.gz VLKIPPZMEYDFIH-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907890 175123162 /nfs/dbraw/zinc/12/31/62/175123162.db2.gz UQDVEKKBEWGLCA-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043916143 175125281 /nfs/dbraw/zinc/12/52/81/175125281.db2.gz PPVFQOAAAYZJRC-ZDUSSCGKSA-N 2 0 280.412 2.444 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967534 175128614 /nfs/dbraw/zinc/12/86/14/175128614.db2.gz HSRCRXNYBMRTLS-JKSUJKDBSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1C ZINC000043967871 175129146 /nfs/dbraw/zinc/12/91/46/175129146.db2.gz CMDJPNDREHTSBF-SFHVURJKSA-N 2 0 287.451 2.283 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967721 175129242 /nfs/dbraw/zinc/12/92/42/175129242.db2.gz RLAJGIUHYTWIEL-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970612 175132182 /nfs/dbraw/zinc/13/21/82/175132182.db2.gz VTSKZMUCLUWTLR-QZTJIDSGSA-N 2 0 287.451 2.145 10 0 CEAERP CC[C@@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136106 175313576 /nfs/dbraw/zinc/31/35/76/175313576.db2.gz FSDHSVFNMKMBTR-VXGBXAGGSA-N 2 0 255.431 2.188 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)CC(C)C ZINC000045381670 175370130 /nfs/dbraw/zinc/37/01/30/175370130.db2.gz PPFNNOGGCQLEJN-OAHLLOKOSA-N 2 0 272.433 2.415 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045385871 175372253 /nfs/dbraw/zinc/37/22/53/175372253.db2.gz ZHZHOYCRYDGBOX-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045387486 175373330 /nfs/dbraw/zinc/37/33/30/175373330.db2.gz CUXPBAHTWKRCCV-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP C[N@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCCCC1 ZINC000045419135 175377354 /nfs/dbraw/zinc/37/73/54/175377354.db2.gz XDEPHZBSUZERJH-HNNXBMFYSA-N 2 0 269.433 2.014 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421038 175380312 /nfs/dbraw/zinc/38/03/12/175380312.db2.gz QPIYNKBIYMDYTR-XJKSGUPXSA-N 2 0 285.476 2.375 10 0 CEAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275394 415666479 /nfs/dbraw/zinc/66/64/79/415666479.db2.gz JRZFTABWKJIGHE-NWANDNLSSA-N 2 0 254.418 2.169 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090939 176031357 /nfs/dbraw/zinc/03/13/57/176031357.db2.gz CYIRYGXIULWZLK-CJNGLKHVSA-N 2 0 262.397 2.230 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000071124942 176035325 /nfs/dbraw/zinc/03/53/25/176035325.db2.gz UVLLSRNCUIABGT-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000071124946 176035349 /nfs/dbraw/zinc/03/53/49/176035349.db2.gz UVLLSRNCUIABGT-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000071161671 176046520 /nfs/dbraw/zinc/04/65/20/176046520.db2.gz VVDXPDZVMUIMFV-CVEARBPZSA-N 2 0 267.461 2.310 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187848 176062191 /nfs/dbraw/zinc/06/21/91/176062191.db2.gz YNCLQNRWGQGTSC-BFYDXBDKSA-N 2 0 275.440 2.267 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187915 176062296 /nfs/dbraw/zinc/06/22/96/176062296.db2.gz AHKUXAKTXWDQHC-NFAWXSAZSA-N 2 0 281.469 2.328 10 0 CEAERP CCC1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188562 176062761 /nfs/dbraw/zinc/06/27/61/176062761.db2.gz IEYPIJMLPHYKOZ-HWOWSKLDSA-N 2 0 267.461 2.168 10 0 CEAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)c(C)c1 ZINC000071188877 176063405 /nfs/dbraw/zinc/06/34/05/176063405.db2.gz CKTDQSLUGRCQCZ-AEFFLSMTSA-N 2 0 289.467 2.447 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccccc1C[NH2+]C1CC1 ZINC000071190026 176065963 /nfs/dbraw/zinc/06/59/63/176065963.db2.gz FYELVKRCJKCWKS-CQSZACIVSA-N 2 0 273.424 2.327 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191994 176072009 /nfs/dbraw/zinc/07/20/09/176072009.db2.gz ZSAIXEUHQRQULU-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1ccc(NCC[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000071192435 176073770 /nfs/dbraw/zinc/07/37/70/176073770.db2.gz FSMWQPRLAIRZOA-HNNXBMFYSA-N 2 0 261.413 2.290 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000071197260 176076461 /nfs/dbraw/zinc/07/64/61/176076461.db2.gz AFFGBELZBDBBIZ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP Cc1ncsc1C[NH2+]C[C@H](C[NH3+])c1ccccc1 ZINC000071213747 176085380 /nfs/dbraw/zinc/08/53/80/176085380.db2.gz ZFQBLPIIUCSLLI-ZDUSSCGKSA-N 2 0 261.394 2.284 10 0 CEAERP CC(C)C[NH2+]CCCCCC[N@@H+]1CCCN(C)CC1 ZINC000071287542 176109575 /nfs/dbraw/zinc/10/95/75/176109575.db2.gz QBTVEFKLIUCUOG-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000071289973 176110472 /nfs/dbraw/zinc/11/04/72/176110472.db2.gz HTULHSPQMVXUJD-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CCOC(=O)CCCCC[NH2+][C@H](C)CC[NH+](C)C ZINC000071293871 176111489 /nfs/dbraw/zinc/11/14/89/176111489.db2.gz RPESXFHCFDXOJP-CYBMUJFWSA-N 2 0 258.406 2.040 10 0 CEAERP C[N@H+](CCC[C@@H]([NH3+])c1ccccc1)CCN1CCCC1 ZINC000071402106 176154011 /nfs/dbraw/zinc/15/40/11/176154011.db2.gz VGCUAORDLJFVIT-QGZVFWFLSA-N 2 0 275.440 2.494 10 0 CEAERP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000071401431 176154092 /nfs/dbraw/zinc/15/40/92/176154092.db2.gz HWLNINBMSCOVKU-HOTGVXAUSA-N 2 0 289.423 2.019 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC000078597024 177357848 /nfs/dbraw/zinc/35/78/48/177357848.db2.gz BRQYYLKRMZNCQO-UHFFFAOYSA-N 2 0 297.487 2.345 10 0 CEAERP CC[C@@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000079212145 177448032 /nfs/dbraw/zinc/44/80/32/177448032.db2.gz UFNKWVUYIJPTJI-MRXNPFEDSA-N 2 0 297.487 2.380 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000079625398 177529212 /nfs/dbraw/zinc/52/92/12/177529212.db2.gz SXCMAHKSPOBFBM-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000079672748 177534503 /nfs/dbraw/zinc/53/45/03/177534503.db2.gz MCEGLCLXKLPSAN-OWCLPIDISA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000136356368 419442913 /nfs/dbraw/zinc/44/29/13/419442913.db2.gz WVTFXWZUXCBUAR-CQSZACIVSA-N 2 0 263.385 2.060 10 0 CEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004121 270356329 /nfs/dbraw/zinc/35/63/29/270356329.db2.gz PMLAXQPBBDPLNT-DLBZAZTESA-N 2 0 275.440 2.095 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000343518270 274283287 /nfs/dbraw/zinc/28/32/87/274283287.db2.gz SVCAQIMFSBRXCM-RGCMKSIDSA-N 2 0 254.418 2.262 10 0 CEAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268361 277160428 /nfs/dbraw/zinc/16/04/28/277160428.db2.gz AWSUADWUYANQIP-QWHCGFSZSA-N 2 0 258.356 2.449 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246085278 280272695 /nfs/dbraw/zinc/27/26/95/280272695.db2.gz IHSGDPILJSBIKE-QKPAOTATSA-N 2 0 297.487 2.340 10 0 CEAERP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568748954 313975952 /nfs/dbraw/zinc/97/59/52/313975952.db2.gz PRYZCIQFPRRLLS-IMJJTQAJSA-N 2 0 268.445 2.295 10 0 CEAERP CC(C)[NH+](CCNC(=O)C[C@@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055125055 519646801 /nfs/dbraw/zinc/64/68/01/519646801.db2.gz VMNKQOSEXZFYHT-CABCVRRESA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCSC2)O1 ZINC000052453612 519745427 /nfs/dbraw/zinc/74/54/27/519745427.db2.gz RHEVCHAKYNLSPB-ILXRZTDVSA-N 2 0 286.485 2.217 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+](CC)CC ZINC000054626937 519907181 /nfs/dbraw/zinc/90/71/81/519907181.db2.gz YKKCJPXJEBADKS-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCC)C2CC2)O1 ZINC000052449225 519927006 /nfs/dbraw/zinc/92/70/06/519927006.db2.gz HBEPEUBKHQQUIT-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484175 519945416 /nfs/dbraw/zinc/94/54/16/519945416.db2.gz ALGDNPXRUQWSMF-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]Cc1ccc(COCC[NH+]2CCCCC2)o1 ZINC000052670793 519997736 /nfs/dbraw/zinc/99/77/36/519997736.db2.gz CUIMEVHFBYLPHA-UHFFFAOYSA-N 2 0 266.385 2.392 10 0 CEAERP CC[NH2+]Cc1cnc(N(CC[NH+](C)C)CC(C)C)s1 ZINC000054906342 520014821 /nfs/dbraw/zinc/01/48/21/520014821.db2.gz OEGSPCNXTYDZSK-UHFFFAOYSA-N 2 0 284.473 2.277 10 0 CEAERP CCC(C)(C)[N@H+](C)CCCC[C@](C)(NC)C(=O)OC ZINC000069443253 521300272 /nfs/dbraw/zinc/30/02/72/521300272.db2.gz RFWDVNCVGFWXLT-HNNXBMFYSA-N 2 0 272.433 2.428 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074948 522128389 /nfs/dbraw/zinc/12/83/89/522128389.db2.gz SWXZGTLUYTZEHK-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP C[C@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354571 533943494 /nfs/dbraw/zinc/94/34/94/533943494.db2.gz AAJGSVPPXXTIAJ-RYRKJORJSA-N 2 0 289.467 2.485 10 0 CEAERP C(CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573028 518382846 /nfs/dbraw/zinc/38/28/46/518382846.db2.gz GPKCXGAOXUPHDZ-LSDHHAIUSA-N 2 0 252.402 2.162 10 0 CEAERP C(C[C@@H]1CCC[NH2+]1)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000052764674 518395812 /nfs/dbraw/zinc/39/58/12/518395812.db2.gz MQELXXMDMGYGRL-RRFJBIMHSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)[N@H+](CCCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023326 519644982 /nfs/dbraw/zinc/64/49/82/519644982.db2.gz VGFRZOBDRHUDIJ-AWEZNQCLSA-N 2 0 263.385 2.147 10 0 CEAERP CC(C)CC[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052545885 519650766 /nfs/dbraw/zinc/65/07/66/519650766.db2.gz SCDQXYXLKVXHDN-UHFFFAOYSA-N 2 0 281.448 2.002 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050946243 519669638 /nfs/dbraw/zinc/66/96/38/519669638.db2.gz UUZNJVMADKHSEH-HNNXBMFYSA-N 2 0 295.471 2.240 10 0 CEAERP CC(C)[NH+]1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052480010 519682431 /nfs/dbraw/zinc/68/24/31/519682431.db2.gz OZCBYQFDNFEKMA-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642979 519687405 /nfs/dbraw/zinc/68/74/05/519687405.db2.gz YOBRICREUGSDKU-CABCVRRESA-N 2 0 255.450 2.166 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCCO2)CCOCC1 ZINC000052182387 519719555 /nfs/dbraw/zinc/71/95/55/519719555.db2.gz CQWLXSYLBKZCFX-INIZCTEOSA-N 2 0 298.471 2.282 10 0 CEAERP CC(C)[NH2+]CCCCC[N@H+](C)C1CCN(C)CC1 ZINC000052419895 519720588 /nfs/dbraw/zinc/72/05/88/519720588.db2.gz JRTYTOQJQCHMBV-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417689 519720990 /nfs/dbraw/zinc/72/09/90/519720990.db2.gz KHMYGMRKINMEMD-CQSZACIVSA-N 2 0 296.484 2.432 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444976 519725072 /nfs/dbraw/zinc/72/50/72/519725072.db2.gz OSHVQUBZHNSITG-CABCVRRESA-N 2 0 254.418 2.406 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456879 519725085 /nfs/dbraw/zinc/72/50/85/519725085.db2.gz LGHMTYUDOLJAJZ-HIFRSBDPSA-N 2 0 266.385 2.257 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055081988 519725922 /nfs/dbraw/zinc/72/59/22/519725922.db2.gz VJGAVGFMTSDOSD-QGZVFWFLSA-N 2 0 275.440 2.350 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2F)CC1 ZINC000055082205 519725951 /nfs/dbraw/zinc/72/59/51/519725951.db2.gz ODDXRJLGZNTXEZ-KRWDZBQOSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055082039 519726409 /nfs/dbraw/zinc/72/64/09/519726409.db2.gz WQUIQYQWVNDHNP-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055081873 519726544 /nfs/dbraw/zinc/72/65/44/519726544.db2.gz CWAUJXLFEYSMTG-PMPSAXMXSA-N 2 0 267.461 2.024 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000055079108 519727393 /nfs/dbraw/zinc/72/73/93/519727393.db2.gz DPHPCODUNLNUMY-HZPDHXFCSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1COC1CC[NH+](C)CC1 ZINC000052596604 519727783 /nfs/dbraw/zinc/72/77/83/519727783.db2.gz BBDPEDQNMYBCJV-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654468 519727834 /nfs/dbraw/zinc/72/78/34/519727834.db2.gz VGHKPBXUTOOFQX-HNNXBMFYSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903671 519728580 /nfs/dbraw/zinc/72/85/80/519728580.db2.gz VSZOXGHSMKCQHY-UHFFFAOYSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061654182 519746982 /nfs/dbraw/zinc/74/69/82/519746982.db2.gz MGWQUOXLIWNZMG-KRWDZBQOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654353 519747332 /nfs/dbraw/zinc/74/73/32/519747332.db2.gz RWCMJPUYPQCSOQ-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654273 519748122 /nfs/dbraw/zinc/74/81/22/519748122.db2.gz BIFDCFUHXLMUQQ-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH+]1CCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052421938 519859022 /nfs/dbraw/zinc/85/90/22/519859022.db2.gz WASHIRJWACUBAQ-UHFFFAOYSA-N 2 0 287.407 2.419 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCC[NH+](C)C ZINC000054601454 519907259 /nfs/dbraw/zinc/90/72/59/519907259.db2.gz STXLNXMIPUVXQU-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054602291 519907484 /nfs/dbraw/zinc/90/74/84/519907484.db2.gz XZHYKISPUQANKU-ALOPSCKCSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@H+](C)C1 ZINC000054602339 519907623 /nfs/dbraw/zinc/90/76/23/519907623.db2.gz OYJRELOQGHCJOO-NPYXIHBLSA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]C(C)(C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000061299598 519908067 /nfs/dbraw/zinc/90/80/67/519908067.db2.gz SXGZBGZUJRIURR-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@H+](CC)C1 ZINC000054628963 519909035 /nfs/dbraw/zinc/90/90/35/519909035.db2.gz UFIXRONDOYADDC-NPYXIHBLSA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763345 519913238 /nfs/dbraw/zinc/91/32/38/519913238.db2.gz NXWAFTYKVLHYQZ-OAHLLOKOSA-N 2 0 268.445 2.393 10 0 CEAERP CC[NH2+]CCCCC[N@H+](C)C1CCN(CC)CC1 ZINC000052544045 519918558 /nfs/dbraw/zinc/91/85/58/519918558.db2.gz RNBGMJJODKFLAZ-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CCC[C@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571664 519919862 /nfs/dbraw/zinc/91/98/62/519919862.db2.gz DQDBDDNYZHSCJX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](CCC)CC1 ZINC000052421694 519920264 /nfs/dbraw/zinc/92/02/64/519920264.db2.gz AWFQEMKKQBHUNQ-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CC[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484245 519928792 /nfs/dbraw/zinc/92/87/92/519928792.db2.gz SYDIQKYNKBSHSM-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]Cc1cc(COCC[NH+](CC)CC)on1 ZINC000052671832 519944844 /nfs/dbraw/zinc/94/48/44/519944844.db2.gz XYRYDOVSSYGKFQ-UHFFFAOYSA-N 2 0 269.389 2.033 10 0 CEAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)C1CCOCC1 ZINC000052481190 520008736 /nfs/dbraw/zinc/00/87/36/520008736.db2.gz LDUJGLNIBIMLLZ-UHFFFAOYSA-N 2 0 292.423 2.286 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074985 520008987 /nfs/dbraw/zinc/00/89/87/520008987.db2.gz CGUOHPQWSQAIMV-KRWDZBQOSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079417 520063547 /nfs/dbraw/zinc/06/35/47/520063547.db2.gz ZZVRKHODTNUDQC-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979351 520068012 /nfs/dbraw/zinc/06/80/12/520068012.db2.gz CYIBVVMNYFDUAF-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CC[NH+](C)CC1 ZINC000054559531 520121297 /nfs/dbraw/zinc/12/12/97/520121297.db2.gz FBIGLOXXRWCIEX-BRWVUGGUSA-N 2 0 281.488 2.284 10 0 CEAERP CC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065613 520183437 /nfs/dbraw/zinc/18/34/37/520183437.db2.gz JIOKGUPKFLECIP-RRFJBIMHSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](CCO)C1CC1 ZINC000054560571 520218695 /nfs/dbraw/zinc/21/86/95/520218695.db2.gz SHSFZTOHFMOJOV-INMHGKMJSA-N 2 0 282.472 2.494 10 0 CEAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052418781 520478384 /nfs/dbraw/zinc/47/83/84/520478384.db2.gz OPUGZPQHQZMPKM-UHFFFAOYSA-N 2 0 281.448 2.288 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C[NH3+])c(C)o2)C1 ZINC000052372178 520526246 /nfs/dbraw/zinc/52/62/46/520526246.db2.gz IUTOXHIUGBWTDB-ZDUSSCGKSA-N 2 0 252.358 2.048 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000050948045 520568832 /nfs/dbraw/zinc/56/88/32/520568832.db2.gz ZGCXOBKHLQYHHW-UHFFFAOYSA-N 2 0 295.471 2.099 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cnc(C)[nH]1 ZINC000054797984 520636808 /nfs/dbraw/zinc/63/68/08/520636808.db2.gz KBIPDOSRFDGZSA-LBPRGKRZSA-N 2 0 252.406 2.318 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]CCc2cccs2)C1 ZINC000062974363 520847133 /nfs/dbraw/zinc/84/71/33/520847133.db2.gz YZGFNDPHXLNJRZ-OAHLLOKOSA-N 2 0 295.496 2.296 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN(C)CC[NH+]1CCCC1 ZINC000063053507 520908312 /nfs/dbraw/zinc/90/83/12/520908312.db2.gz GFXXXDMQUFBPOD-HNNXBMFYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081838 521439353 /nfs/dbraw/zinc/43/93/53/521439353.db2.gz OSFPOZUHEOHESA-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052544086 521567420 /nfs/dbraw/zinc/56/74/20/521567420.db2.gz XERSEJRSUQGTKP-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(OC)cc1 ZINC000054627424 521956364 /nfs/dbraw/zinc/95/63/64/521956364.db2.gz GIPZEEFJMNHKDO-MQVJKMGUSA-N 2 0 274.408 2.453 10 0 CEAERP C[NH+](C)[C@@H]1CCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)C1 ZINC000069374968 522054362 /nfs/dbraw/zinc/05/43/62/522054362.db2.gz QQRXGFXOFKETAO-OTTFEQOBSA-N 2 0 293.377 2.072 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542130 522058723 /nfs/dbraw/zinc/05/87/23/522058723.db2.gz VCCVBOJDPGYLQY-GJZGRUSLSA-N 2 0 280.437 2.480 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2C)O1 ZINC000052547129 522092914 /nfs/dbraw/zinc/09/29/14/522092914.db2.gz MPODXWZDDKQFJA-CVEARBPZSA-N 2 0 262.397 2.194 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](C3CCCC3)CC2)oc1C ZINC000052573492 522106955 /nfs/dbraw/zinc/10/69/55/522106955.db2.gz JWKIJISMVPWVFA-UHFFFAOYSA-N 2 0 291.439 2.368 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000055078001 522113379 /nfs/dbraw/zinc/11/33/79/522113379.db2.gz YBFXXIDASDKRAG-ZBFHGGJFSA-N 2 0 289.423 2.019 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062972857 522116609 /nfs/dbraw/zinc/11/66/09/522116609.db2.gz MIUWZEOOZPKUPG-KRWDZBQOSA-N 2 0 273.424 2.076 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065474 522122541 /nfs/dbraw/zinc/12/25/41/522122541.db2.gz BVCRINMZTUCKAD-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+]Cc1occc1COCC[NH+]1CCCCC1 ZINC000052670831 522164537 /nfs/dbraw/zinc/16/45/37/522164537.db2.gz FYTZZOUGGRJWHV-UHFFFAOYSA-N 2 0 252.358 2.002 10 0 CEAERP COC[C@@H](C)[N@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052511632 522217250 /nfs/dbraw/zinc/21/72/50/522217250.db2.gz GQQWBHIADJZSOZ-CQSZACIVSA-N 2 0 292.423 2.284 10 0 CEAERP CCc1nc(N2CC[NH+]([C@H](C)CC)CC2)sc1C[NH2+]C ZINC000055076577 522387918 /nfs/dbraw/zinc/38/79/18/522387918.db2.gz FTCZXGWALLYABU-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP C[NH2+][C@H](C)c1ccccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644839 522450984 /nfs/dbraw/zinc/45/09/84/522450984.db2.gz SZSXTYOOSGDYFZ-ZIAGYGMSSA-N 2 0 261.413 2.497 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571588 522542725 /nfs/dbraw/zinc/54/27/25/522542725.db2.gz DKQUYKVRLOJHAP-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1)CC1(C[NH3+])CCOCC1 ZINC000052198200 523249396 /nfs/dbraw/zinc/24/93/96/523249396.db2.gz DVKZGBCQKSVLIU-UHFFFAOYSA-N 2 0 266.360 2.013 10 0 CEAERP COCCC[N@H+](CCOC)[C@H](C)CCC[NH2+]C(C)C ZINC000052543280 523256937 /nfs/dbraw/zinc/25/69/37/523256937.db2.gz QGZWOTUUDZVWJQ-OAHLLOKOSA-N 2 0 274.449 2.138 10 0 CEAERP CN(Cc1ccccc1F)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000048873516 523370760 /nfs/dbraw/zinc/37/07/60/523370760.db2.gz SBNMKIRTBQJQNO-FKEKPDDDSA-N 2 0 291.414 2.212 10 0 CEAERP CC[C@@H]1CSC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569537 523520654 /nfs/dbraw/zinc/52/06/54/523520654.db2.gz UCJMHLOWTYQBHE-IJLUTSLNSA-N 2 0 253.415 2.084 10 0 CEAERP COCC[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)C)O1)[C@@H](C)C1CC1 ZINC000052545453 523731586 /nfs/dbraw/zinc/73/15/86/523731586.db2.gz FJKSFGCEXCKLHM-XIRDDKMYSA-N 2 0 298.471 2.279 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])ccc2OC)CC1 ZINC000055065028 523955762 /nfs/dbraw/zinc/95/57/62/523955762.db2.gz MDLGFNSXPKAFMT-AWEZNQCLSA-N 2 0 291.439 2.070 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063760 523958637 /nfs/dbraw/zinc/95/86/37/523958637.db2.gz XYWINYJDFLLRBJ-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH+](C)C1CCN(CCC[NH2+]C2CCCCC2)CC1 ZINC000053499172 524039276 /nfs/dbraw/zinc/03/92/76/524039276.db2.gz HIAMGTVATSYBAN-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH+](C)CC1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054897118 524050386 /nfs/dbraw/zinc/05/03/86/524050386.db2.gz KFASRSQXPUQQBM-LBPRGKRZSA-N 2 0 294.468 2.257 10 0 CEAERP C[NH+](C)CC1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860145 524050398 /nfs/dbraw/zinc/05/03/98/524050398.db2.gz ZGLCOXNFWCKPTF-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502844 524053702 /nfs/dbraw/zinc/05/37/02/524053702.db2.gz UNHIBTPEFMNCCW-QGZVFWFLSA-N 2 0 286.423 2.118 10 0 CEAERP C[C@@H]1CC[C@@H](C)[C@@](CN)([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000068628338 524579268 /nfs/dbraw/zinc/57/92/68/524579268.db2.gz SPFUUBNCIPGLMH-BFYDXBDKSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977541 524838027 /nfs/dbraw/zinc/83/80/27/524838027.db2.gz JJHFCHHFTMHILL-QEJZJMRPSA-N 2 0 279.453 2.307 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977544 525017848 /nfs/dbraw/zinc/01/78/48/525017848.db2.gz JJHFCHHFTMHILL-VHDGCEQUSA-N 2 0 279.453 2.307 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642901 525343567 /nfs/dbraw/zinc/34/35/67/525343567.db2.gz UENQWNDZJXQMDN-APIJFGDWSA-N 2 0 291.439 2.429 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)[C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000053244976 525765661 /nfs/dbraw/zinc/76/56/61/525765661.db2.gz OFBLYOGBYCTWML-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658288 526255946 /nfs/dbraw/zinc/25/59/46/526255946.db2.gz UAARXNHEQNNIRO-AAEUAGOBSA-N 2 0 260.385 2.376 10 0 CEAERP c1ccc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764217 526482023 /nfs/dbraw/zinc/48/20/23/526482023.db2.gz KTPTUAGTHLGYFP-INIZCTEOSA-N 2 0 273.424 2.341 10 0 CEAERP NC(=[NH2+])c1c(Cl)cccc1OCC[NH+]1CCCCC1 ZINC000052907595 526818955 /nfs/dbraw/zinc/81/89/55/526818955.db2.gz FYVWQQQFOJQPCW-UHFFFAOYSA-N 2 0 281.787 2.489 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCCC1 ZINC000052763361 527162894 /nfs/dbraw/zinc/16/28/94/527162894.db2.gz NZTZCRMLASWKPS-CQSZACIVSA-N 2 0 254.418 2.133 10 0 CEAERP [NH3+]CC[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055016675 527193581 /nfs/dbraw/zinc/19/35/81/527193581.db2.gz SUCSQSPQHURIKL-QGZVFWFLSA-N 2 0 273.424 2.104 10 0 CEAERP [NH3+]Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052758468 527254974 /nfs/dbraw/zinc/25/49/74/527254974.db2.gz KRNWEWRHQFMMJD-CQSZACIVSA-N 2 0 266.360 2.021 10 0 CEAERP [NH3+]Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710179 527260113 /nfs/dbraw/zinc/26/01/13/527260113.db2.gz NPLSTLNNPYDYBV-KRWDZBQOSA-N 2 0 282.387 2.379 10 0 CEAERP C[NH2+][C@@H](C)c1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394231 536350868 /nfs/dbraw/zinc/35/08/68/536350868.db2.gz HYMAITXIWBWTQH-KBPBESRZSA-N 2 0 261.413 2.497 10 0 CEAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C(C)C)O2 ZINC000757138144 574510145 /nfs/dbraw/zinc/51/01/45/574510145.db2.gz AZSHLCZXPKYTIU-ZDUSSCGKSA-N 2 0 254.418 2.469 10 0 CEAERP C[NH+]1CCC2(CC1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757143660 574510265 /nfs/dbraw/zinc/51/02/65/574510265.db2.gz MIZBDDLLNXZLBN-UHFFFAOYSA-N 2 0 250.386 2.121 10 0 CEAERP CC(C)(C)[C@@H]1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757152422 574510854 /nfs/dbraw/zinc/51/08/54/574510854.db2.gz SGUPHJZLOJQMLA-GFCCVEGCSA-N 2 0 252.402 2.223 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000309868693 625339287 /nfs/dbraw/zinc/33/92/87/625339287.db2.gz PBHVCJKVBCEERB-ZDUSSCGKSA-N 2 0 299.459 2.316 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000236990179 629247870 /nfs/dbraw/zinc/24/78/70/629247870.db2.gz HDOYFYMTMSSJSO-HUUCEWRRSA-N 2 0 283.460 2.132 10 0 CEAERP C[N@H+](C[C@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412797 539030973 /nfs/dbraw/zinc/03/09/73/539030973.db2.gz HBLSKSBLZIPFTE-DRFQVBMSSA-N 2 0 266.429 2.095 10 0 CEAERP c1cc2c(cc1CN1CC[N@@H+]3CCCC[C@H]3C1)C[NH2+]CC2 ZINC000250215337 344632398 /nfs/dbraw/zinc/63/23/98/344632398.db2.gz OGKUDRFZNNBNNO-SFHVURJKSA-N 2 0 285.435 2.002 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC1([NH3+])CCCC1 ZINC000084162543 178810646 /nfs/dbraw/zinc/81/06/46/178810646.db2.gz GTDPHTRQYDQTQV-AWEZNQCLSA-N 2 0 283.460 2.275 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CCC2([NH3+])CCCC2)C1 ZINC000084188984 178821627 /nfs/dbraw/zinc/82/16/27/178821627.db2.gz DTOYASGRVBAGGJ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@](O)(C[NH3+])CCC[NH+]1CCC2(CCCC2)CC1 ZINC000085302808 179010759 /nfs/dbraw/zinc/01/07/59/179010759.db2.gz VAEXJVAXJRCFEA-CQSZACIVSA-N 2 0 254.418 2.133 10 0 CEAERP CCC1(CC)CC[NH+]([C@@H](C)C[C@](C)(O)C[NH3+])CC1 ZINC000085303327 179011490 /nfs/dbraw/zinc/01/14/90/179011490.db2.gz IZSVKRMTHCYPQL-KBPBESRZSA-N 2 0 256.434 2.377 10 0 CEAERP Cc1csc(CC[NH2+]C[C@H]2CCCC[C@H]2[NH3+])n1 ZINC000085376871 179044630 /nfs/dbraw/zinc/04/46/30/179044630.db2.gz CYBLPMBIYUNXIH-VXGBXAGGSA-N 2 0 253.415 2.101 10 0 CEAERP C[C@H](CC[NH+](C)C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573469 179098010 /nfs/dbraw/zinc/09/80/10/179098010.db2.gz KTQFWHCYSVEEQE-GFCCVEGCSA-N 2 0 278.444 2.339 10 0 CEAERP CC(C)(C)c1nc2c(n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085572725 179097079 /nfs/dbraw/zinc/09/70/79/179097079.db2.gz VWBSSIMYMSUCLN-UHFFFAOYSA-N 2 0 290.455 2.312 10 0 CEAERP CC(C)Cc1nc2c(n1C[C@@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572818 179098330 /nfs/dbraw/zinc/09/83/30/179098330.db2.gz OUZGNNHYVYMGSR-AWEZNQCLSA-N 2 0 290.455 2.212 10 0 CEAERP CC(C)c1nc2c(n1C[C@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572839 179098479 /nfs/dbraw/zinc/09/84/79/179098479.db2.gz GPJANMRFFQRJFD-CYBMUJFWSA-N 2 0 276.428 2.137 10 0 CEAERP Cc1ccc(C[NH2+]CC[C@H]2CSCC[NH2+]2)s1 ZINC000085616148 179104422 /nfs/dbraw/zinc/10/44/22/179104422.db2.gz UNNFYWBTGSCHFL-NSHDSACASA-N 2 0 256.440 2.241 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675590 179112364 /nfs/dbraw/zinc/11/23/64/179112364.db2.gz DBHVDRFQCJDFFW-RFGFWPKPSA-N 2 0 254.418 2.120 10 0 CEAERP CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173677 179244222 /nfs/dbraw/zinc/24/42/22/179244222.db2.gz OQJFGPMQNNCZFT-SJORKVTESA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCN[C@@](C)(c2ccccc2)C1 ZINC000086146683 179238790 /nfs/dbraw/zinc/23/87/90/179238790.db2.gz GFGKBXXZLFWXIP-QGZVFWFLSA-N 2 0 275.440 2.149 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1CCC[NH+](C)C ZINC000086217779 179249521 /nfs/dbraw/zinc/24/95/21/179249521.db2.gz SNYAYUGXHZPMBC-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217849 179249738 /nfs/dbraw/zinc/24/97/38/179249738.db2.gz CMLMYBHRMWXKOI-CRAIPNDOSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@H](C3CC3)NC[C@@H]2C(C)C)CC1 ZINC000086259149 179258192 /nfs/dbraw/zinc/25/81/92/179258192.db2.gz GEBYWFMLYGTLLP-QZTJIDSGSA-N 2 0 293.499 2.427 10 0 CEAERP CCC[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259286 179258301 /nfs/dbraw/zinc/25/83/01/179258301.db2.gz ZJWHCWLBDFMSDY-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291485 179266060 /nfs/dbraw/zinc/26/60/60/179266060.db2.gz NBWXRBNSOIFAGC-WBVHZDCISA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291568 179266415 /nfs/dbraw/zinc/26/64/15/179266415.db2.gz WVLJDNWROQIARW-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293026 179266511 /nfs/dbraw/zinc/26/65/11/179266511.db2.gz AVTGSZIZVOTWCI-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293262 179266645 /nfs/dbraw/zinc/26/66/45/179266645.db2.gz IXAVOSWYHIJNAA-GJZGRUSLSA-N 3 0 255.450 2.038 10 0 CEAERP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291479 179266910 /nfs/dbraw/zinc/26/69/10/179266910.db2.gz FCDHNDUEGVBPSL-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N3CCC([NH+](C)C)CC3)nc21 ZINC000086442779 179293386 /nfs/dbraw/zinc/29/33/86/179293386.db2.gz WIOOZIOLFWHTGL-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000086444083 179293941 /nfs/dbraw/zinc/29/39/41/179293941.db2.gz XBXMALNLLDDBBE-RYUDHWBXSA-N 2 0 294.468 2.400 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086441970 179293974 /nfs/dbraw/zinc/29/39/74/179293974.db2.gz FMGKVYCLGMHCMW-NSHDSACASA-N 2 0 280.441 2.011 10 0 CEAERP C[C@H]1CCC[C@]1(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000086676375 179318967 /nfs/dbraw/zinc/31/89/67/179318967.db2.gz SGWFSDZSNDMJBG-FUHWJXTLSA-N 2 0 287.451 2.322 10 0 CEAERP C[C@H]1CCC[C@@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000086677104 179319208 /nfs/dbraw/zinc/31/92/08/179319208.db2.gz XCGIHNXESYOSDT-HOCLYGCPSA-N 2 0 265.445 2.064 10 0 CEAERP CCCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819415 179347868 /nfs/dbraw/zinc/34/78/68/179347868.db2.gz HKFCCGQBRHQORZ-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP Cc1ccc(N(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819527 179348088 /nfs/dbraw/zinc/34/80/88/179348088.db2.gz KUTNEKDVORSEOQ-INIZCTEOSA-N 2 0 261.413 2.244 10 0 CEAERP CCN(Cc1ccccc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819263 179348754 /nfs/dbraw/zinc/34/87/54/179348754.db2.gz KBCHXSFDMDKMCX-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086833497 179349783 /nfs/dbraw/zinc/34/97/83/179349783.db2.gz GOURPSFEBHINRV-AWEZNQCLSA-N 2 0 259.397 2.111 10 0 CEAERP CCCC[NH+]1CCC(N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818529 179346803 /nfs/dbraw/zinc/34/68/03/179346803.db2.gz GWQPRJXJYSWGOE-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC)C[C@@H]2CCCO2)CC1 ZINC000086847767 179356886 /nfs/dbraw/zinc/35/68/86/179356886.db2.gz KKQATFJJVMQOOC-IRXDYDNUSA-N 2 0 297.487 2.081 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836237 179351134 /nfs/dbraw/zinc/35/11/34/179351134.db2.gz ZXUSWXXWCYDPFS-CQSZACIVSA-N 2 0 276.380 2.379 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836701 179352158 /nfs/dbraw/zinc/35/21/58/179352158.db2.gz FTJSWPOLALSNJT-SJORKVTESA-N 2 0 298.471 2.425 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841084 179354041 /nfs/dbraw/zinc/35/40/41/179354041.db2.gz KKQVITIYEORPTP-OAHLLOKOSA-N 2 0 283.460 2.099 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846412 179354609 /nfs/dbraw/zinc/35/46/09/179354609.db2.gz ZDPMJPLOPLDYEV-OWCLPIDISA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846449 179355148 /nfs/dbraw/zinc/35/51/48/179355148.db2.gz LLRIEALQGBKQCV-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000086891433 179366484 /nfs/dbraw/zinc/36/64/84/179366484.db2.gz LBSVYUQUJUJJHS-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000086910558 179366773 /nfs/dbraw/zinc/36/67/73/179366773.db2.gz UFVSHQNKMRSUEL-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CC1(O)CCCCC1 ZINC000087029183 179382431 /nfs/dbraw/zinc/38/24/31/179382431.db2.gz DHSKQJRLQSWZAG-CQSZACIVSA-N 2 0 254.418 2.146 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000087697036 179472242 /nfs/dbraw/zinc/47/22/42/179472242.db2.gz ORVPTFVACAXXNK-PMPSAXMXSA-N 2 0 295.471 2.227 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CCC[C@H]1C[NH+](C)C ZINC000104280143 185953097 /nfs/dbraw/zinc/95/30/97/185953097.db2.gz VYXLEQOLKYECKU-HNNXBMFYSA-N 2 0 261.413 2.027 10 0 CEAERP Cc1ncc(C[NH2+]C[C@H]2CCCC[C@@H]2C[NH3+])s1 ZINC000089402213 179781859 /nfs/dbraw/zinc/78/18/59/179781859.db2.gz JDSVCHRITSCKAC-VXGBXAGGSA-N 2 0 253.415 2.306 10 0 CEAERP CC[NH+](CC)CCN1CCC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000104410081 185992260 /nfs/dbraw/zinc/99/22/60/185992260.db2.gz YICZLAAADYDCJV-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000090494287 179993216 /nfs/dbraw/zinc/99/32/16/179993216.db2.gz ILVIGMNZKFDHLD-BYNSBNAKSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)C1CCCCC1 ZINC000090566022 180005390 /nfs/dbraw/zinc/00/53/90/180005390.db2.gz CKPHMEJJSNWPOZ-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)C1CCCCC1 ZINC000090566020 180005540 /nfs/dbraw/zinc/00/55/40/180005540.db2.gz CKPHMEJJSNWPOZ-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCC(CC)CC1 ZINC000090566355 180005591 /nfs/dbraw/zinc/00/55/91/180005591.db2.gz YGLXTOZEATYNNC-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CC)C1CCCC1 ZINC000090566153 180005997 /nfs/dbraw/zinc/00/59/97/180005997.db2.gz KIWBCBZZCJCCLS-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566873 180006205 /nfs/dbraw/zinc/00/62/05/180006205.db2.gz JIPPIQXTLXRTNW-MSOLQXFVSA-N 2 0 288.435 2.449 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566870 180006434 /nfs/dbraw/zinc/00/64/34/180006434.db2.gz JIPPIQXTLXRTNW-ZWKOTPCHSA-N 2 0 288.435 2.449 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907446 180061153 /nfs/dbraw/zinc/06/11/53/180061153.db2.gz GBMHLGWFPHSOCA-ZNMIVQPWSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H]1CCC[C@@H](C)[NH+]1Cc1csc(CC[NH3+])n1 ZINC000090957985 180075132 /nfs/dbraw/zinc/07/51/32/180075132.db2.gz DEUKIXACMPJQTJ-GHMZBOCLSA-N 2 0 253.415 2.407 10 0 CEAERP CC(C)[NH+]1CCC([NH2+]Cc2sccc2N)CC1 ZINC000090959241 180075522 /nfs/dbraw/zinc/07/55/22/180075522.db2.gz CAZCNJKOKBGUFM-UHFFFAOYSA-N 2 0 253.415 2.293 10 0 CEAERP CC(C)[C@H]1CCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958817 180075648 /nfs/dbraw/zinc/07/56/48/180075648.db2.gz UZOKNVNSQCMOBM-GFCCVEGCSA-N 2 0 253.415 2.265 10 0 CEAERP CC(C)[NH2+]Cc1cccn1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000091001068 180083382 /nfs/dbraw/zinc/08/33/82/180083382.db2.gz GGTMDEQKNRVGFV-MRXNPFEDSA-N 2 0 279.428 2.095 10 0 CEAERP C[NH+](C)CCn1ncc(C[NH2+]C(C)(C)C)c1C1CC1 ZINC000091338566 180136608 /nfs/dbraw/zinc/13/66/08/180136608.db2.gz ZKTJPKZKSGFURG-UHFFFAOYSA-N 2 0 264.417 2.210 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275382 180118623 /nfs/dbraw/zinc/11/86/23/180118623.db2.gz GMNOQZIMECXUNW-SWLSCSKDSA-N 2 0 262.401 2.340 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427970 180152863 /nfs/dbraw/zinc/15/28/63/180152863.db2.gz MFQOVXNKYIJVBX-ZBFHGGJFSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+]CCCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091430278 180153095 /nfs/dbraw/zinc/15/30/95/180153095.db2.gz QQICMDCCCOYOJU-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000091427988 180153140 /nfs/dbraw/zinc/15/31/40/180153140.db2.gz DIPVWDHGMPJIGW-MNOVXSKESA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432956 180153641 /nfs/dbraw/zinc/15/36/41/180153641.db2.gz GFRLIZHNSHSHRJ-GJZGRUSLSA-N 2 0 255.450 2.035 10 0 CEAERP CCC[NH2+]C[C@@](C)(CCC)C[N@H+](C)CC1CC(O)C1 ZINC000091498659 180174168 /nfs/dbraw/zinc/17/41/68/180174168.db2.gz VOPYQZOAAOZDDB-UYSNPLJNSA-N 2 0 270.461 2.495 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])C2CCCCCC2)C1 ZINC000091394655 180146149 /nfs/dbraw/zinc/14/61/49/180146149.db2.gz LGIJHTRCOFWPGL-CVEARBPZSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000091402346 180146884 /nfs/dbraw/zinc/14/68/84/180146884.db2.gz YYORMNLBMCVNNL-MRXNPFEDSA-N 2 0 289.467 2.438 10 0 CEAERP CC(=O)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091402066 180147168 /nfs/dbraw/zinc/14/71/68/180147168.db2.gz ACKUOECHBQLQPT-UHFFFAOYSA-N 2 0 266.429 2.409 10 0 CEAERP CC[C@](C)([C@@H](Cc1ccncc1)[NH2+]C)[NH+]1CCCC1 ZINC000091606894 180203744 /nfs/dbraw/zinc/20/37/44/180203744.db2.gz PVGONHACZYLNOE-HZPDHXFCSA-N 2 0 261.413 2.477 10 0 CEAERP CC1CCC(C(=O)Cc2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648272 180215432 /nfs/dbraw/zinc/21/54/32/180215432.db2.gz BOPSANRKKGGDAX-UHFFFAOYSA-N 2 0 275.396 2.286 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000091715717 180232773 /nfs/dbraw/zinc/23/27/73/180232773.db2.gz YQWIGWMTZXIOOH-CQSZACIVSA-N 2 0 250.386 2.297 10 0 CEAERP CCc1cc(C[C@H]([NH3+])CC[NH+](CC)CC)n(CC)n1 ZINC000091715846 180232826 /nfs/dbraw/zinc/23/28/26/180232826.db2.gz BXENYAKKSNJUEN-CYBMUJFWSA-N 2 0 266.433 2.067 10 0 CEAERP CC[N@H+](CCOC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850863 180272442 /nfs/dbraw/zinc/27/24/42/180272442.db2.gz QHPDEBVODLTCJV-UHFFFAOYSA-N 2 0 254.296 2.115 10 0 CEAERP CCC[N@H+](CCn1ccnc1C)C1CCC([NH3+])CC1 ZINC000091852622 180272820 /nfs/dbraw/zinc/27/28/20/180272820.db2.gz HTSPOQFHHALJJC-UHFFFAOYSA-N 2 0 264.417 2.173 10 0 CEAERP CC[N@H+](Cc1cccc(OC)n1)C1CCC([NH3+])CC1 ZINC000091850945 180272065 /nfs/dbraw/zinc/27/20/65/180272065.db2.gz XFCSPWGCSUXAFR-UHFFFAOYSA-N 2 0 263.385 2.182 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N(C(C)C)C(C)C)CC1 ZINC000091872773 180278037 /nfs/dbraw/zinc/27/80/37/180278037.db2.gz TYZAAKYUJRZTNO-UHFFFAOYSA-N 2 0 283.460 2.094 10 0 CEAERP CC1(C)CCC(C[NH3+])([C@@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907236 180283942 /nfs/dbraw/zinc/28/39/42/180283942.db2.gz RSINCMVQNHDDPW-MRXNPFEDSA-N 2 0 266.429 2.131 10 0 CEAERP CC[N@@H+]1CCO[C@@H](Cn2ccc3c2cccc3C[NH2+]C)C1 ZINC000092060162 180315684 /nfs/dbraw/zinc/31/56/84/180315684.db2.gz WRKZHKCCXQONKE-OAHLLOKOSA-N 2 0 287.407 2.081 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000092089363 180321586 /nfs/dbraw/zinc/32/15/86/180321586.db2.gz SECMBDCQJZAUDM-ZIAGYGMSSA-N 2 0 262.397 2.373 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203687 180343389 /nfs/dbraw/zinc/34/33/89/180343389.db2.gz YUWRYHRQMXUJTJ-LSDHHAIUSA-N 2 0 287.407 2.370 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@H]1CSc2ccccc21 ZINC000092274721 180356340 /nfs/dbraw/zinc/35/63/40/180356340.db2.gz KPYZOHCPEMUZSZ-LBPRGKRZSA-N 2 0 250.411 2.417 10 0 CEAERP CCC[NH2+]C[C@@H](C)c1c(C)nn(CC[NH+](C)C)c1C ZINC000092322968 180362416 /nfs/dbraw/zinc/36/24/16/180362416.db2.gz CEJHCMWVPJPYDH-GFCCVEGCSA-N 2 0 266.433 2.165 10 0 CEAERP C[N@@H+](Cc1ccnc2ccccc12)CC1CC([NH3+])C1 ZINC000092365322 180368697 /nfs/dbraw/zinc/36/86/97/180368697.db2.gz HTJTZMYCZBBIOE-UHFFFAOYSA-N 2 0 255.365 2.404 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cc(N)cc[nH+]1 ZINC000092418843 180382050 /nfs/dbraw/zinc/38/20/50/180382050.db2.gz HTMLGTKJDLVPIM-UHFFFAOYSA-N 2 0 251.374 2.301 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000092624484 180417969 /nfs/dbraw/zinc/41/79/69/180417969.db2.gz JQVOZEXKOXKEAC-DLBZAZTESA-N 2 0 275.440 2.329 10 0 CEAERP [NH3+]Cc1cc(OCC[NH+]2CCCC2)c2ccccc2n1 ZINC000109590649 186265159 /nfs/dbraw/zinc/26/51/59/186265159.db2.gz STKIVZBJGRDZII-UHFFFAOYSA-N 2 0 271.364 2.168 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603652 186266428 /nfs/dbraw/zinc/26/64/28/186266428.db2.gz IDBJRDZZUWWQAJ-CFVMTHIKSA-N 2 0 282.428 2.025 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])C1 ZINC000109684704 186268727 /nfs/dbraw/zinc/26/87/27/186268727.db2.gz GUBNTSZACILBGB-XUWVNRHRSA-N 2 0 296.455 2.415 10 0 CEAERP COC(=O)[C@](C)([NH3+])CCC[N@H+](CCC(C)C)C1CC1 ZINC000109999728 186282263 /nfs/dbraw/zinc/28/22/63/186282263.db2.gz LXIWZKAUPJUKAR-OAHLLOKOSA-N 2 0 270.417 2.168 10 0 CEAERP Cc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]C(C)(C)C ZINC000110275325 186289619 /nfs/dbraw/zinc/28/96/19/186289619.db2.gz VPCPQEKJVQGHSH-LBPRGKRZSA-N 2 0 296.484 2.480 10 0 CEAERP C[N@@H+](CC(=O)Nc1ccccc1C[NH3+])CC1CCCC1 ZINC000110833798 186328785 /nfs/dbraw/zinc/32/87/85/186328785.db2.gz SHJGELYXAFQYRG-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(C)c(F)c2)CC1 ZINC000110976900 186338915 /nfs/dbraw/zinc/33/89/15/186338915.db2.gz SDRXDYQEPWJUBQ-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccccc2OC)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704070 186314950 /nfs/dbraw/zinc/31/49/50/186314950.db2.gz OIYOJTLSPSUGAN-CKEIUWERSA-N 2 0 291.439 2.110 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705019 186314959 /nfs/dbraw/zinc/31/49/59/186314959.db2.gz SAJYCYXCMQBRRW-JSGCOSHPSA-N 2 0 265.401 2.084 10 0 CEAERP C[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1C ZINC000110716733 186316234 /nfs/dbraw/zinc/31/62/34/186316234.db2.gz YHJSDGTWLLLOBG-INIZCTEOSA-N 2 0 275.440 2.282 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000110716545 186316305 /nfs/dbraw/zinc/31/63/05/186316305.db2.gz LCYQNLKMXQNNNF-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110746534 186319583 /nfs/dbraw/zinc/31/95/83/186319583.db2.gz ZBMJZYSPPATTKU-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CCC(CC)[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757924 186321933 /nfs/dbraw/zinc/32/19/33/186321933.db2.gz GNRZWSKIKBLLRH-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+]Cc1ccc(OCCN(C)CC[NH+](C)C)cc1 ZINC000111149880 186360795 /nfs/dbraw/zinc/36/07/95/186360795.db2.gz RRTXCFUYMHEWCL-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP CC(C)C[NH2+]C[C@H](c1ccccc1)N(C)CC[NH+](C)C ZINC000111149918 186361072 /nfs/dbraw/zinc/36/10/72/186361072.db2.gz ZEAVWCWGMBVNGA-QGZVFWFLSA-N 2 0 277.456 2.467 10 0 CEAERP C[N@H+](CC1CCOCC1)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157524 186362012 /nfs/dbraw/zinc/36/20/12/186362012.db2.gz RDQVWDCELNBXDC-CABCVRRESA-N 2 0 254.418 2.252 10 0 CEAERP CCC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CC[NH+](C)C)C1 ZINC000111131833 186356297 /nfs/dbraw/zinc/35/62/97/186356297.db2.gz JIARVRFPVZSRSW-RBSFLKMASA-N 2 0 255.450 2.024 10 0 CEAERP CN(CCC[NH+](C)C)C1(C[NH3+])CCCCCCC1 ZINC000111133582 186356630 /nfs/dbraw/zinc/35/66/30/186356630.db2.gz LXRNYEJQYQKMLB-UHFFFAOYSA-N 2 0 255.450 2.312 10 0 CEAERP C[NH+](C)CCC[N@H+](C)CC1(c2ccccc2)CC[NH2+]CC1 ZINC000111140557 186357054 /nfs/dbraw/zinc/35/70/54/186357054.db2.gz IEISTNMXAQCLEE-UHFFFAOYSA-N 3 0 289.467 2.191 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111134800 186357211 /nfs/dbraw/zinc/35/72/11/186357211.db2.gz HJVWJFOFCJTZHW-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136092 186357368 /nfs/dbraw/zinc/35/73/68/186357368.db2.gz BXEQNXKERCSSSV-HZPDHXFCSA-N 2 0 263.429 2.349 10 0 CEAERP CCOc1ccc([C@H](C)[NH3+])cc1CN(C)CCC[NH+](C)C ZINC000111136421 186357379 /nfs/dbraw/zinc/35/73/79/186357379.db2.gz XRBYAMPJWMICCM-AWEZNQCLSA-N 2 0 293.455 2.489 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000111136545 186357693 /nfs/dbraw/zinc/35/76/93/186357693.db2.gz WIKMRSKAUQDFPZ-SOUVJXGZSA-N 2 0 269.477 2.412 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1CN(C)CC[NH+](C)C ZINC000111149980 186359825 /nfs/dbraw/zinc/35/98/25/186359825.db2.gz XLRMQNQYXWICQA-UHFFFAOYSA-N 2 0 267.417 2.079 10 0 CEAERP Cc1cc(CN(C)CC[NH+](C)C)oc1C[NH2+]C(C)(C)C ZINC000111149863 186359914 /nfs/dbraw/zinc/35/99/14/186359914.db2.gz LHRUGAGUSVKZCG-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171739 186364679 /nfs/dbraw/zinc/36/46/79/186364679.db2.gz BNQBTMKJYYITSY-SOUVJXGZSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCOC2)O1 ZINC000111174870 186364974 /nfs/dbraw/zinc/36/49/74/186364974.db2.gz APGZVLZBGJQWGT-BBWFWOEESA-N 2 0 298.471 2.138 10 0 CEAERP CC[NH2+]C[C@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323697 186397517 /nfs/dbraw/zinc/39/75/17/186397517.db2.gz DSIXKCXSQODEOK-GJZGRUSLSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]C[C@@]1(C[NH+]2CCC(OCC)CC2)CCCOC1 ZINC000111326114 186398450 /nfs/dbraw/zinc/39/84/50/186398450.db2.gz QFIWGLJCAGVYAI-QGZVFWFLSA-N 2 0 298.471 2.284 10 0 CEAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000111265519 186381454 /nfs/dbraw/zinc/38/14/54/186381454.db2.gz TULZZAQDOMDQAY-CJNGLKHVSA-N 2 0 287.407 2.076 10 0 CEAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111273354 186385457 /nfs/dbraw/zinc/38/54/57/186385457.db2.gz UZRDATSBGDHCBF-SBMIAAHKSA-N 2 0 253.415 2.266 10 0 CEAERP C[NH+](C)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210227 539845176 /nfs/dbraw/zinc/84/51/76/539845176.db2.gz MDNJWIBKNIPSJV-XHSDSOJGSA-N 2 0 261.413 2.149 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000094446946 539879244 /nfs/dbraw/zinc/87/92/44/539879244.db2.gz RYSGPXQFYHSXDE-OWCLPIDISA-N 2 0 295.471 2.083 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC000575439484 366287664 /nfs/dbraw/zinc/28/76/64/366287664.db2.gz AIDZEFKHLVURHU-NSHDSACASA-N 2 0 257.175 2.496 10 0 CEAERP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000388991228 540336554 /nfs/dbraw/zinc/33/65/54/540336554.db2.gz CFHRZHYNFXGBIV-OWCLPIDISA-N 2 0 268.445 2.392 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000092634182 364091967 /nfs/dbraw/zinc/09/19/67/364091967.db2.gz HGICVNISVBAADP-OAHLLOKOSA-N 2 0 290.411 2.093 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576582 368726283 /nfs/dbraw/zinc/72/62/83/368726283.db2.gz VIDMNOYCLXHQAW-GDBMZVCRSA-N 2 0 276.424 2.115 10 0 CEAERP C[C@@H]1C[N@H+](C[C@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999254 369033649 /nfs/dbraw/zinc/03/36/49/369033649.db2.gz RQPYQCZKHKDVIZ-MCIONIFRSA-N 2 0 260.381 2.079 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658566 371693926 /nfs/dbraw/zinc/69/39/26/371693926.db2.gz YWERCUJDMZJNLB-KCPJHIHWSA-N 2 0 280.799 2.388 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)C1 ZINC000261947701 371782415 /nfs/dbraw/zinc/78/24/15/371782415.db2.gz NMNJBSYIEAIIOX-XAJHFOFHSA-N 2 0 280.456 2.248 10 0 CEAERP Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000262048373 371811531 /nfs/dbraw/zinc/81/15/31/371811531.db2.gz QAAUTUQZHOSCGA-SJCJKPOMSA-N 2 0 284.407 2.268 10 0 CEAERP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@H]2CC)nc(C)n1 ZINC000272865738 373685639 /nfs/dbraw/zinc/68/56/39/373685639.db2.gz MVZQISBTRGBRKS-HUUCEWRRSA-N 2 0 274.412 2.410 10 0 CEAERP CCN1CC[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460854 375303654 /nfs/dbraw/zinc/30/36/54/375303654.db2.gz SCLBFMMJFOUHIQ-LBPRGKRZSA-N 2 0 276.409 2.322 10 0 CEAERP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1O)N(C)Cc1ccccc1 ZINC000390698913 375313050 /nfs/dbraw/zinc/31/30/50/375313050.db2.gz JIGUNNNHSRFNOY-DJIMGWMZSA-N 2 0 276.424 2.400 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000414809486 375995475 /nfs/dbraw/zinc/99/54/75/375995475.db2.gz UGVKMRSMNJKVQZ-CMPLNLGQSA-N 2 0 284.201 2.061 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763131 376555008 /nfs/dbraw/zinc/55/50/08/376555008.db2.gz FUWBRPDLKASJFG-CQSZACIVSA-N 2 0 282.391 2.375 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296680541 378615366 /nfs/dbraw/zinc/61/53/66/378615366.db2.gz LJAOXRHXSPTWMT-IUODEOHRSA-N 2 0 260.381 2.453 10 0 CEAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300240622 379157127 /nfs/dbraw/zinc/15/71/27/379157127.db2.gz SYAZSVBGBRFGOT-BFHYXJOUSA-N 2 0 266.429 2.121 10 0 CEAERP CC[NH2+][C@](C)(CO)CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000085240479 184608034 /nfs/dbraw/zinc/60/80/34/184608034.db2.gz JZXDZFILPPUKQK-ZFWWWQNUSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092675845 184620916 /nfs/dbraw/zinc/62/09/16/184620916.db2.gz VVLFSYLSEJPVLL-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCC2(C[NH+]=C(N)N2c2ccc(F)cc2)CC1 ZINC000093379467 184669263 /nfs/dbraw/zinc/66/92/63/184669263.db2.gz SAQFZQWKNZHQIS-UHFFFAOYSA-N 2 0 290.386 2.205 10 0 CEAERP CC[NH+](CC)CC[C@H]1CCC[C@@]1(CO)[NH2+]C(C)C ZINC000093616225 184695988 /nfs/dbraw/zinc/69/59/88/184695988.db2.gz GVKIZOPKDDXOQE-CABCVRRESA-N 2 0 256.434 2.248 10 0 CEAERP COC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678057 184704985 /nfs/dbraw/zinc/70/49/85/184704985.db2.gz BAOCBMMFMULOIQ-AGUYFDCRSA-N 2 0 252.402 2.018 10 0 CEAERP CC(C)[N@H+](C[C@@H](O)c1ccccc1)CC1CC[NH2+]CC1 ZINC000094026092 184751797 /nfs/dbraw/zinc/75/17/97/184751797.db2.gz PEWOSRRLJYDNQZ-QGZVFWFLSA-N 2 0 276.424 2.430 10 0 CEAERP CCC[NH2+][C@H]1[C@H](CN(C)CC[NH+](C)C)C(C)(C)OC1(C)C ZINC000094429780 184797238 /nfs/dbraw/zinc/79/72/38/184797238.db2.gz KSLWYMXFAQRTBQ-GJZGRUSLSA-N 2 0 299.503 2.052 10 0 CEAERP C[NH2+][C@H](C)c1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000094999722 184912183 /nfs/dbraw/zinc/91/21/83/184912183.db2.gz QGYSXMKHQWVBPB-HIFRSBDPSA-N 2 0 274.412 2.037 10 0 CEAERP C[C@@H]1CCC[C@@](CN[C@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000252761795 296455429 /nfs/dbraw/zinc/45/54/29/296455429.db2.gz DLOBCOOWXQESFX-OWCLPIDISA-N 2 0 267.461 2.229 10 0 CEAERP CC(C)(C[NH3+])CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000087590395 135050693 /nfs/dbraw/zinc/05/06/93/135050693.db2.gz ZQUVHXUEDMGCDY-UHFFFAOYSA-N 2 0 279.403 2.323 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000089482621 135059287 /nfs/dbraw/zinc/05/92/87/135059287.db2.gz MBEDZBDJCJJUSN-HZPDHXFCSA-N 2 0 273.424 2.184 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000093395431 135080455 /nfs/dbraw/zinc/08/04/55/135080455.db2.gz PPRKOJCIEQQMPA-LBPRGKRZSA-N 2 0 265.376 2.205 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408798 135080883 /nfs/dbraw/zinc/08/08/83/135080883.db2.gz ALQXUHWZGWJBOT-UHFFFAOYSA-N 2 0 278.375 2.030 10 0 CEAERP c1cnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C[NH2+]C2CC2)c1 ZINC000094443201 135088549 /nfs/dbraw/zinc/08/85/49/135088549.db2.gz GRIXZXXKSSBXHV-MRXNPFEDSA-N 2 0 286.423 2.008 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094443165 135088703 /nfs/dbraw/zinc/08/87/03/135088703.db2.gz QQADURHITFJGPY-MRXNPFEDSA-N 2 0 288.439 2.254 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094443208 135088729 /nfs/dbraw/zinc/08/87/29/135088729.db2.gz HYZOUWICJIBPBP-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000324462839 394549809 /nfs/dbraw/zinc/54/98/09/394549809.db2.gz YMPKQIHXBFLIEQ-MGPQQGTHSA-N 2 0 256.434 2.294 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000343518271 395039933 /nfs/dbraw/zinc/03/99/33/395039933.db2.gz SVCAQIMFSBRXCM-SBJFKYEJSA-N 2 0 254.418 2.262 10 0 CEAERP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000381143304 395172280 /nfs/dbraw/zinc/17/22/80/395172280.db2.gz KAPLKHCSBTUSRI-XIRDDKMYSA-N 2 0 274.408 2.351 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C1([NH3+])CCCC1)[NH+]1CCCC1 ZINC000178684017 165252671 /nfs/dbraw/zinc/25/26/71/165252671.db2.gz OQVJFWFAABGGRW-HNNXBMFYSA-N 2 0 295.471 2.275 10 0 CEAERP Cn1c(-c2ccc(C(N)=[NH2+])cc2)cc2ccc(C(N)=[NH2+])cc21 ZINC000005161526 170072327 /nfs/dbraw/zinc/07/23/27/170072327.db2.gz MOXDXHWODMOZEL-UHFFFAOYSA-N 2 0 291.358 2.413 10 0 CEAERP [NH3+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000019267232 170765199 /nfs/dbraw/zinc/76/51/99/170765199.db2.gz LGGZQCQFQDJSAX-CQSZACIVSA-N 2 0 266.360 2.021 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179486 171043976 /nfs/dbraw/zinc/04/39/76/171043976.db2.gz CJFBICMIRMUSJK-QGZVFWFLSA-N 2 0 275.440 2.268 10 0 CEAERP Cc1cc(C)c(OC[C@H](CC[NH3+])[NH+](C)C)cc1C ZINC000020401593 171181292 /nfs/dbraw/zinc/18/12/92/171181292.db2.gz CAPDCDSCKYVQHH-AWEZNQCLSA-N 2 0 250.386 2.270 10 0 CEAERP Cc1ccc(OC[C@@H](CC[NH3+])[NH+]2CCCC2)cc1C ZINC000020402087 171182075 /nfs/dbraw/zinc/18/20/75/171182075.db2.gz JVJCPNZCXYOXBQ-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP CC1CC[NH+](CCC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000022154873 171362158 /nfs/dbraw/zinc/36/21/58/171362158.db2.gz OULYDOJKIYHGSG-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000037496830 173235758 /nfs/dbraw/zinc/23/57/58/173235758.db2.gz PSGGHFNQYMKNPH-HUUCEWRRSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H](Cc1c(F)cccc1F)[NH2+]C1CC[NH2+]CC1 ZINC000038041517 174042320 /nfs/dbraw/zinc/04/23/20/174042320.db2.gz JNYCCFYCUVYLSL-JTQLQIEISA-N 2 0 254.324 2.237 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)N(C)C)CC1 ZINC000038087988 174100547 /nfs/dbraw/zinc/10/05/47/174100547.db2.gz YIQPIAQCEDFNES-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+](CC)CCNC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669618 174368170 /nfs/dbraw/zinc/36/81/70/174368170.db2.gz HKVCVCJPAFVAAY-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040672702 174371488 /nfs/dbraw/zinc/37/14/88/174371488.db2.gz ZTKSVXOGDTWRAN-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP CCOC1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000040678497 174374587 /nfs/dbraw/zinc/37/45/87/174374587.db2.gz JMXXDVZRDXMIGS-HIFRSBDPSA-N 2 0 254.418 2.395 10 0 CEAERP CCCN(CC[NH+](CC)CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748477 174393329 /nfs/dbraw/zinc/39/33/29/174393329.db2.gz JVBAOWYWOFTCFA-XYPWUTKMSA-N 2 0 267.461 2.323 10 0 CEAERP CCCN(CC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748641 174393829 /nfs/dbraw/zinc/39/38/29/174393829.db2.gz UNOCOXCWLSYNOV-SJPCQFCGSA-N 2 0 279.472 2.467 10 0 CEAERP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400985197 414748423 /nfs/dbraw/zinc/74/84/23/414748423.db2.gz YHODIXOLWQPBAZ-CTASWTNQSA-N 2 0 272.392 2.488 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C1CC[NH+](C)CC1 ZINC000042970891 174934398 /nfs/dbraw/zinc/93/43/98/174934398.db2.gz ZOBCHXFAARQEBC-MLGOLLRUSA-N 2 0 279.403 2.240 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CCC([NH+](C)C)CC1 ZINC000043248057 174992351 /nfs/dbraw/zinc/99/23/51/174992351.db2.gz KHTNVXJTOROBSK-OCCSQVGLSA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[N@H+](C)CC1 ZINC000043363932 175025104 /nfs/dbraw/zinc/02/51/04/175025104.db2.gz FKODOIFEQZKTHS-ZFWWWQNUSA-N 2 0 265.401 2.004 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)o1 ZINC000043365381 175026934 /nfs/dbraw/zinc/02/69/34/175026934.db2.gz VWVGTHFOXQAVSX-HOCLYGCPSA-N 2 0 281.444 2.496 10 0 CEAERP CCc1ccc([C@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805887 175108084 /nfs/dbraw/zinc/10/80/84/175108084.db2.gz HZAKKSJTAFMJIT-KRWDZBQOSA-N 2 0 275.440 2.147 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815317 175112645 /nfs/dbraw/zinc/11/26/45/175112645.db2.gz RSVGLVYQCDZKDY-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818345 175113125 /nfs/dbraw/zinc/11/31/25/175113125.db2.gz HZUPZQCOKAWVJQ-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897009 175120061 /nfs/dbraw/zinc/12/00/61/175120061.db2.gz FIHKGXYIQWPHAI-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967931 175128983 /nfs/dbraw/zinc/12/89/83/175128983.db2.gz VLFWGSKJUYIYDX-DLBZAZTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970735 175131984 /nfs/dbraw/zinc/13/19/84/175131984.db2.gz UEWOEOYVUKZEAR-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970675 175132173 /nfs/dbraw/zinc/13/21/73/175132173.db2.gz KSXDCSRJINIECJ-OIISXLGYSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCN([C@@H](c2ccco2)[C@H]([NH3+])CC)CC1 ZINC000044419013 175173277 /nfs/dbraw/zinc/17/32/77/175173277.db2.gz RUNSXCCPAQNDIM-UKRRQHHQSA-N 2 0 265.401 2.086 10 0 CEAERP [NH3+][C@@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044732428 175240752 /nfs/dbraw/zinc/24/07/52/175240752.db2.gz FJISYMFEOPLEGN-MRXNPFEDSA-N 2 0 260.381 2.497 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045113969 175311213 /nfs/dbraw/zinc/31/12/13/175311213.db2.gz ZCNZUEPZAZFVEP-RYUDHWBXSA-N 2 0 278.400 2.039 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171406 175321343 /nfs/dbraw/zinc/32/13/43/175321343.db2.gz ORKBGXVJKPDODB-SMDDNHRTSA-N 2 0 264.417 2.029 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376091 175366643 /nfs/dbraw/zinc/36/66/43/175366643.db2.gz YTPHYERTANZQPR-GOEBONIOSA-N 2 0 283.460 2.275 10 0 CEAERP CC[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045390675 175374684 /nfs/dbraw/zinc/37/46/84/175374684.db2.gz QGXHSPDXNSNMRS-INIZCTEOSA-N 2 0 281.444 2.027 10 0 CEAERP C[NH2+][C@](C)(CCCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420398 175378555 /nfs/dbraw/zinc/37/85/55/175378555.db2.gz UFWSPJBYSXTKBP-MRXNPFEDSA-N 2 0 285.476 2.234 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420995 175380062 /nfs/dbraw/zinc/38/00/62/175380062.db2.gz XTUSCIKCZLXUIL-BBRMVZONSA-N 2 0 285.476 2.377 10 0 CEAERP C[N@H+](C[C@H](C[NH3+])c1ccccc1)CC1CCOCC1 ZINC000070943341 176015910 /nfs/dbraw/zinc/01/59/10/176015910.db2.gz NIXZFIVNCQCDJM-INIZCTEOSA-N 2 0 262.397 2.087 10 0 CEAERP CC[C@@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000070942715 176016025 /nfs/dbraw/zinc/01/60/25/176016025.db2.gz SKUSJUOJWUTEIH-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034899 176024930 /nfs/dbraw/zinc/02/49/30/176024930.db2.gz JEIHCTLVWSLKBO-OAHLLOKOSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044741 176029798 /nfs/dbraw/zinc/02/97/98/176029798.db2.gz VWKTUHLJSVXCNO-INIZCTEOSA-N 2 0 262.397 2.361 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000071124877 176035436 /nfs/dbraw/zinc/03/54/36/176035436.db2.gz UEWGTZRTAUMUAF-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147385 176043606 /nfs/dbraw/zinc/04/36/06/176043606.db2.gz VPKLLSXEVTYIDO-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071162212 176046769 /nfs/dbraw/zinc/04/67/69/176046769.db2.gz HTRRETKXEXMOSI-IKGGRYGDSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188215 176062947 /nfs/dbraw/zinc/06/29/47/176062947.db2.gz RXQVDDFLLNQEQT-XUWVNRHRSA-N 2 0 267.461 2.024 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188112 176063041 /nfs/dbraw/zinc/06/30/41/176063041.db2.gz XZXUBOSTVLIFFA-WOSRLPQWSA-N 2 0 279.403 2.098 10 0 CEAERP CCC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188900 176063645 /nfs/dbraw/zinc/06/36/45/176063645.db2.gz OEKZEAXZMKUDGY-QBPKDAKJSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188810 176063650 /nfs/dbraw/zinc/06/36/50/176063650.db2.gz ARHSWVWFUOWJPD-ZTFGCOKTSA-N 2 0 287.451 2.145 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188686 176063891 /nfs/dbraw/zinc/06/38/91/176063891.db2.gz QMWPGRRIVZPOFM-PVAVHDDUSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)[C@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190578 176066515 /nfs/dbraw/zinc/06/65/15/176066515.db2.gz DRGJHKJCSCSYOW-QKPAOTATSA-N 2 0 268.445 2.056 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191400 176069979 /nfs/dbraw/zinc/06/99/79/176069979.db2.gz OYVKOTMVUPMOHS-IXDOHACOSA-N 2 0 281.488 2.428 10 0 CEAERP Cc1ccsc1C[NH2+]CCN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192395 176073225 /nfs/dbraw/zinc/07/32/25/176073225.db2.gz VJPDEXMCQZPTRW-AWEZNQCLSA-N 2 0 281.469 2.030 10 0 CEAERP CC(C)C[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263634 176096753 /nfs/dbraw/zinc/09/67/53/176096753.db2.gz DRSFDRYRFRECOE-UHFFFAOYSA-N 2 0 279.403 2.058 10 0 CEAERP C[N@H+](CCCCCC[NH2+]C1CC1)C[C@@H]1CCCO1 ZINC000071289119 176110352 /nfs/dbraw/zinc/11/03/52/176110352.db2.gz DPMIRNGJRGRLLB-HNNXBMFYSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]C[C@@H]1CCC[N@H+](CCCCCC(=O)OCC)C1 ZINC000071297942 176112789 /nfs/dbraw/zinc/11/27/89/176112789.db2.gz KEZKLJGPFNVZPH-HNNXBMFYSA-N 2 0 284.444 2.431 10 0 CEAERP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000659851455 415732722 /nfs/dbraw/zinc/73/27/22/415732722.db2.gz HYBDHFHJAPXTCR-HZPDHXFCSA-N 2 0 268.445 2.201 10 0 CEAERP CC[C@H](CC[NH3+])CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000079214064 177448697 /nfs/dbraw/zinc/44/86/97/177448697.db2.gz ZDBNFLQEEIRWPP-HNNXBMFYSA-N 3 0 269.477 2.415 10 0 CEAERP CC(C)[C@@H](CC[NH3+])CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000079279954 177463204 /nfs/dbraw/zinc/46/32/04/177463204.db2.gz GDOBTSYOPRCRHS-CABCVRRESA-N 2 0 256.434 2.498 10 0 CEAERP C[N@H+](Cc1ccccc1)[C@@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066132 270825603 /nfs/dbraw/zinc/82/56/03/270825603.db2.gz WBQBSRHRYPUIFB-SFHVURJKSA-N 2 0 287.451 2.239 10 0 CEAERP CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000245663751 276038170 /nfs/dbraw/zinc/03/81/70/276038170.db2.gz IGPHWIWWAMIUNK-HUUCEWRRSA-N 2 0 283.460 2.097 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC(C)(C)C1 ZINC000226744913 277984577 /nfs/dbraw/zinc/98/45/77/277984577.db2.gz VAWCJRWVFROVEY-ZIAGYGMSSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000114176041 279129376 /nfs/dbraw/zinc/12/93/76/279129376.db2.gz JZBVMNGJIQEELE-HZPDHXFCSA-N 2 0 297.487 2.343 10 0 CEAERP COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1Br ZINC000258774063 280526971 /nfs/dbraw/zinc/52/69/71/280526971.db2.gz OILRXZOMNRRANZ-SECBINFHSA-N 2 0 287.201 2.285 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000423029122 281000520 /nfs/dbraw/zinc/00/05/20/281000520.db2.gz RQWCLDHHDVTCCJ-PCGVCOGMSA-N 2 0 264.413 2.194 10 0 CEAERP CCC[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[NH+](C)C ZINC000155037649 289163070 /nfs/dbraw/zinc/16/30/70/289163070.db2.gz UXCXVTCXTSCZBF-INIZCTEOSA-N 2 0 297.487 2.489 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@H](C)C2)CCOCC1 ZINC000052182190 519720170 /nfs/dbraw/zinc/72/01/70/519720170.db2.gz MQSWHLPLVXLQDK-AWEZNQCLSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421806 519858579 /nfs/dbraw/zinc/85/85/79/519858579.db2.gz QLFFFUKWMBWZEW-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CC(C)(C)CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000062970282 519911492 /nfs/dbraw/zinc/91/14/92/519911492.db2.gz YQLSIGUVMKVSRA-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]Cc1cn(CC[NH+](CC(C)C)CC(C)C)nn1 ZINC000052484951 519962311 /nfs/dbraw/zinc/96/23/11/519962311.db2.gz WXWHRKAZZXLHCL-UHFFFAOYSA-N 2 0 295.475 2.392 10 0 CEAERP CCC[NH2+]Cc1coc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654621 519966419 /nfs/dbraw/zinc/96/64/19/519966419.db2.gz VONISMPCUYZBEL-OAHLLOKOSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1OCC[NH+]1CCCC1 ZINC000051548932 519983609 /nfs/dbraw/zinc/98/36/09/519983609.db2.gz BNXJDGILWRFBCW-UHFFFAOYSA-N 2 0 277.412 2.283 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655587 520032334 /nfs/dbraw/zinc/03/23/34/520032334.db2.gz XIZDCIYQMOYHEW-GFCCVEGCSA-N 2 0 282.457 2.091 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643708 520219794 /nfs/dbraw/zinc/21/97/94/520219794.db2.gz NPFLTJJQIWKYMC-FZKCQIBNSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1C1(C[NH3+])CCCCCC1 ZINC000061643055 521866338 /nfs/dbraw/zinc/86/63/38/521866338.db2.gz KJSYVUOKVJPQJU-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055063850 522127947 /nfs/dbraw/zinc/12/79/47/522127947.db2.gz VHWSECPMCIHFFL-UMVBOHGHSA-N 2 0 265.401 2.084 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311262 518761424 /nfs/dbraw/zinc/76/14/24/518761424.db2.gz NZKQQMDFCZFRDS-ZDUSSCGKSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546198 518763384 /nfs/dbraw/zinc/76/33/84/518763384.db2.gz OSTIWXMIWQZIFC-ZIAGYGMSSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054629298 519613844 /nfs/dbraw/zinc/61/38/44/519613844.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 3 0 253.434 2.061 10 0 CEAERP CC(C)[N@H+](CCN1CCC[NH2+]CC1)Cc1ccccc1 ZINC000061274920 519646180 /nfs/dbraw/zinc/64/61/80/519646180.db2.gz YJGPUSDGGUUGJX-UHFFFAOYSA-N 2 0 275.440 2.192 10 0 CEAERP CC(C)[NH+]1CCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052480041 519682066 /nfs/dbraw/zinc/68/20/66/519682066.db2.gz VBBGWHHJRJALDD-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP CC(C)C[N@H+](CCC[C@H]1CCC[NH2+]1)CCN(C)C ZINC000052764553 519715985 /nfs/dbraw/zinc/71/59/85/519715985.db2.gz ARLNKLMIFZWHPK-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419885 519720826 /nfs/dbraw/zinc/72/08/26/519720826.db2.gz ZVKMREPYLQDDGM-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]CC[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573558 519722125 /nfs/dbraw/zinc/72/21/25/519722125.db2.gz CXMBOMLMGLPNJI-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+]C[C@@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573479 519722624 /nfs/dbraw/zinc/72/26/24/519722624.db2.gz SYKCLFBXTYLEEO-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)nc1 ZINC000062971441 519726796 /nfs/dbraw/zinc/72/67/96/519726796.db2.gz AMQLPCBBBGRFKI-INIZCTEOSA-N 2 0 288.439 2.254 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654406 519743307 /nfs/dbraw/zinc/74/33/07/519743307.db2.gz SZGWZYAZVDYOIJ-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC(C)C)O1 ZINC000052452833 519745148 /nfs/dbraw/zinc/74/51/48/519745148.db2.gz OKKAPYQLEPZWPI-LSDHHAIUSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571581 519745672 /nfs/dbraw/zinc/74/56/72/519745672.db2.gz ZNJCHPFNSCLVGT-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@H]1CN(C2CC[NH+](C)CC2)[C@@H](C(C)C)C[NH2+]1 ZINC000062663939 519826564 /nfs/dbraw/zinc/82/65/64/519826564.db2.gz XIJCVRUEEUDEDR-HZPDHXFCSA-N 2 0 267.461 2.035 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCC[NH+](C)C)CC1 ZINC000045663873 519847788 /nfs/dbraw/zinc/84/77/88/519847788.db2.gz UHHVHEHEROIGIZ-HNNXBMFYSA-N 3 0 269.477 2.428 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055071236 519884955 /nfs/dbraw/zinc/88/49/55/519884955.db2.gz SWLKZPVVVSDDDK-OAHLLOKOSA-N 2 0 297.487 2.474 10 0 CEAERP CCCC1CC[NH+](CCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000050905799 519900883 /nfs/dbraw/zinc/90/08/83/519900883.db2.gz BRFOHWBRNACVQO-QGZVFWFLSA-N 2 0 295.471 2.275 10 0 CEAERP CCCC1CC[NH+](Cc2cc(C[NH2+]C)no2)CC1 ZINC000052373935 519902180 /nfs/dbraw/zinc/90/21/80/519902180.db2.gz TVKRIUFMLFLGJF-UHFFFAOYSA-N 2 0 251.374 2.406 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C[NH+](C)C)C(C)C ZINC000054629127 519910968 /nfs/dbraw/zinc/91/09/68/519910968.db2.gz UQJMTDNARLCABJ-UYTSQGDYSA-N 2 0 267.461 2.178 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)C2CC2)CCOCC1 ZINC000052181776 519912060 /nfs/dbraw/zinc/91/20/60/519912060.db2.gz FCENVERWUVGZKQ-ZDUSSCGKSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH2+]CCC(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000061293014 519918432 /nfs/dbraw/zinc/91/84/32/519918432.db2.gz BJCVXCJHLAKCHT-UHFFFAOYSA-N 2 0 275.396 2.221 10 0 CEAERP CC[NH2+]CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418168 519919121 /nfs/dbraw/zinc/91/91/21/519919121.db2.gz VSLFCGHCUJZYNY-UHFFFAOYSA-N 2 0 279.403 2.337 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477501 519920083 /nfs/dbraw/zinc/92/00/83/519920083.db2.gz URRDZFYTSPNWSF-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417106 519920556 /nfs/dbraw/zinc/92/05/56/519920556.db2.gz GYULWRYNFFVSLF-QGZVFWFLSA-N 2 0 289.467 2.440 10 0 CEAERP CCC[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)on1 ZINC000052503339 519945952 /nfs/dbraw/zinc/94/59/52/519945952.db2.gz IIOOTFVCOKDVAR-UHFFFAOYSA-N 2 0 296.459 2.194 10 0 CEAERP CC[NH2+]C[C@H]1CC[N@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000053011642 519975806 /nfs/dbraw/zinc/97/58/06/519975806.db2.gz NCPBDUKKWACSQU-OAHLLOKOSA-N 2 0 292.423 2.178 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](CCCOC)CCOC)c1 ZINC000052543227 520003662 /nfs/dbraw/zinc/00/36/62/520003662.db2.gz XJZRHYWCACCDFI-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CC[NH2+]Cc1ccccc1C[NH+]1CCSCC1 ZINC000052443308 520008912 /nfs/dbraw/zinc/00/89/12/520008912.db2.gz BSKYAWMVFCSNEO-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069075430 520009801 /nfs/dbraw/zinc/00/98/01/520009801.db2.gz IBNWIEFCEDFXHQ-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](C)CCc1ccncc1 ZINC000052483073 520011469 /nfs/dbraw/zinc/01/14/69/520011469.db2.gz BETBWGDFMKASDY-UHFFFAOYSA-N 2 0 273.380 2.459 10 0 CEAERP CC[NH2+]Cc1ccoc1COCC[NH+](CC)CC ZINC000052671725 520013646 /nfs/dbraw/zinc/01/36/46/520013646.db2.gz CBUXHUHIPKTNAM-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CC[NH+](CC)CC1 ZINC000053860778 520122271 /nfs/dbraw/zinc/12/22/71/520122271.db2.gz XCMHBEFXZXVISK-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053012715 520610409 /nfs/dbraw/zinc/61/04/09/520610409.db2.gz TVYBGARONPCOSP-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCCC[N@H+](C)C(C)C ZINC000045700609 520656504 /nfs/dbraw/zinc/65/65/04/520656504.db2.gz BZUDJQWERWWASX-HUUCEWRRSA-N 2 0 285.476 2.390 10 0 CEAERP CC[NH+](CC)CCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052907580 520699521 /nfs/dbraw/zinc/69/95/21/520699521.db2.gz JSUKNVRAXIJSFW-UHFFFAOYSA-N 2 0 269.776 2.345 10 0 CEAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055078928 520727604 /nfs/dbraw/zinc/72/76/04/520727604.db2.gz OVQQOYJURGUSDO-HUUCEWRRSA-N 2 0 255.450 2.166 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2ccc(C(N)=[NH2+])cc2F)C1 ZINC000062980627 520874222 /nfs/dbraw/zinc/87/42/22/520874222.db2.gz OSRDXGSAPVPLDY-AWEZNQCLSA-N 2 0 292.402 2.026 10 0 CEAERP CCC[C@@]1(C(=O)N2CC[C@H]([NH+](CC)CC)C2)CCC[NH2+]C1 ZINC000062972584 520941644 /nfs/dbraw/zinc/94/16/44/520941644.db2.gz WQOHUFODMLEXGK-DOTOQJQBSA-N 2 0 295.471 2.099 10 0 CEAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262723 520956826 /nfs/dbraw/zinc/95/68/26/520956826.db2.gz QHGNGFUEPMVRIZ-MRXNPFEDSA-N 2 0 268.445 2.371 10 0 CEAERP CC[N@H+](CCC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCO1 ZINC000050953282 521039435 /nfs/dbraw/zinc/03/94/35/521039435.db2.gz KUEDGQYLUKOEMJ-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000069380195 521255064 /nfs/dbraw/zinc/25/50/64/521255064.db2.gz JQHKYZZFUNKZHW-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCC(CC)[N@H+](CCO)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183531 521553346 /nfs/dbraw/zinc/55/33/46/521553346.db2.gz RAQYWMLECZJGOX-UHFFFAOYSA-N 2 0 298.471 2.018 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000052883581 521565622 /nfs/dbraw/zinc/56/56/22/521565622.db2.gz OWTLXWMDUOWCJJ-QGZVFWFLSA-N 2 0 275.440 2.277 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054897683 521567311 /nfs/dbraw/zinc/56/73/11/521567311.db2.gz FPVFXUAWDGBLDD-GFCCVEGCSA-N 2 0 294.468 2.400 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000061654433 521868824 /nfs/dbraw/zinc/86/88/24/521868824.db2.gz IAUSRZJFVIBAOR-CQSZACIVSA-N 2 0 294.443 2.089 10 0 CEAERP C[NH2+]C(C)(C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000061316487 521946216 /nfs/dbraw/zinc/94/62/16/521946216.db2.gz BJLMMXSVWSYPBP-UHFFFAOYSA-N 2 0 275.396 2.219 10 0 CEAERP C[NH2+]CCCCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422934 521992121 /nfs/dbraw/zinc/99/21/21/521992121.db2.gz ZMRMUYCKPIIIOY-UHFFFAOYSA-N 2 0 291.439 2.207 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517752 522061359 /nfs/dbraw/zinc/06/13/59/522061359.db2.gz DNCVMDNBJBTHCN-ARFHVFGLSA-N 2 0 266.429 2.408 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000055073655 522118696 /nfs/dbraw/zinc/11/86/96/522118696.db2.gz LKJBBJRLJHYQGL-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267069 522128254 /nfs/dbraw/zinc/12/82/54/522128254.db2.gz NSTGGXBEHTYUFT-RHSMWYFYSA-N 2 0 273.424 2.247 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074464 522130694 /nfs/dbraw/zinc/13/06/94/522130694.db2.gz PFTGWDYJVYCBEO-HZPDHXFCSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074155 522131811 /nfs/dbraw/zinc/13/18/11/522131811.db2.gz KALXNKRSWVGFHM-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074125 522132376 /nfs/dbraw/zinc/13/23/76/522132376.db2.gz BFKQCUJEGPXBNM-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+]Cc1ccccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062981856 522137436 /nfs/dbraw/zinc/13/74/36/522137436.db2.gz QJZYLJPXMJANBG-HNNXBMFYSA-N 2 0 259.397 2.081 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479996 522189453 /nfs/dbraw/zinc/18/94/53/522189453.db2.gz TWSXSEXKMUPJGD-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1C ZINC000061643636 522465707 /nfs/dbraw/zinc/46/57/07/522465707.db2.gz UTFPELBDZZXJNF-NVXWUHKLSA-N 2 0 275.440 2.282 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052511444 522594599 /nfs/dbraw/zinc/59/45/99/522594599.db2.gz KSOFFHIVSMHWMS-LBPRGKRZSA-N 2 0 254.374 2.244 10 0 CEAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1cccc(Cl)c1 ZINC000061275202 522831781 /nfs/dbraw/zinc/83/17/81/522831781.db2.gz IUTRHDINDHGKTJ-UHFFFAOYSA-N 2 0 281.831 2.067 10 0 CEAERP COCC1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000070080300 522934567 /nfs/dbraw/zinc/93/45/67/522934567.db2.gz YSTHIKRLNNKCPI-UHFFFAOYSA-N 2 0 266.360 2.143 10 0 CEAERP COCC[N@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CC1 ZINC000052183071 523689320 /nfs/dbraw/zinc/68/93/20/523689320.db2.gz GIPHXUWELVWPEA-UHFFFAOYSA-N 2 0 298.471 2.282 10 0 CEAERP COCC[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542526 523731165 /nfs/dbraw/zinc/73/11/65/523731165.db2.gz YAQPWOUETJKEAO-GJZGRUSLSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(CC)(CC)C[NH2+]C)CC1 ZINC000055072186 523953116 /nfs/dbraw/zinc/95/31/16/523953116.db2.gz JCQLUWSZZFFEST-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083400 523955214 /nfs/dbraw/zinc/95/52/14/523955214.db2.gz KEYZGGFOZBUBII-MAUKXSAKSA-N 2 0 287.451 2.117 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063924 523958567 /nfs/dbraw/zinc/95/85/67/523958567.db2.gz AAMOBEWGGMIZCM-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074611 523958615 /nfs/dbraw/zinc/95/86/15/523958615.db2.gz DJOZEROGHLKLMY-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cncs1)C2 ZINC000054788253 524031399 /nfs/dbraw/zinc/03/13/99/524031399.db2.gz YITMGDJQAZQBQS-YOGCLGLASA-N 2 0 251.399 2.106 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1C(N)=[NH2+] ZINC000061658287 524130828 /nfs/dbraw/zinc/13/08/28/524130828.db2.gz UAARXNHEQNNIRO-YPMHNXCESA-N 2 0 260.385 2.376 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)OCC[C@@H]1CCC[N@@H+]1C ZINC000052673542 524142757 /nfs/dbraw/zinc/14/27/57/524142757.db2.gz PHENOPYGHUDDPT-HIFRSBDPSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@H](C[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484167 524478878 /nfs/dbraw/zinc/47/88/78/524478878.db2.gz CRJPXULDYQPNGE-CQSZACIVSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000068628147 524580027 /nfs/dbraw/zinc/58/00/27/524580027.db2.gz MCUMMFPHRBZJQP-BFYDXBDKSA-N 2 0 279.472 2.168 10 0 CEAERP C[C@@H](CN1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049150064 524592154 /nfs/dbraw/zinc/59/21/54/524592154.db2.gz KPYIWOLYELCNQS-HNNXBMFYSA-N 2 0 288.439 2.124 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c(C)s1 ZINC000049687472 525481418 /nfs/dbraw/zinc/48/14/18/525481418.db2.gz GLUYTXAKYNIZIZ-MRXNPFEDSA-N 2 0 293.480 2.392 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655214 525857811 /nfs/dbraw/zinc/85/78/11/525857811.db2.gz JYTADJITWAXZAN-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP c1ccc(C2(C[NH2+]CC[C@@H]3CCCO3)CC[NH2+]CC2)cc1 ZINC000062943845 526462265 /nfs/dbraw/zinc/46/22/65/526462265.db2.gz AYQKBQSZUDFCDC-KRWDZBQOSA-N 2 0 288.435 2.467 10 0 CEAERP c1csc(N2CC[NH+](CCC[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000050952346 526584848 /nfs/dbraw/zinc/58/48/48/526584848.db2.gz SOKJJAKUSMOFFD-CQSZACIVSA-N 2 0 294.468 2.187 10 0 CEAERP Cc1nc(N2CC[NH+](CC3CC3)CC2)sc1[C@H](C)[NH3+] ZINC000054898773 526968928 /nfs/dbraw/zinc/96/89/28/526968928.db2.gz XVADGWMWSJWGOW-JTQLQIEISA-N 2 0 280.441 2.003 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373098 527248093 /nfs/dbraw/zinc/24/80/93/527248093.db2.gz XRZRQWPOZODDFK-CYBMUJFWSA-N 2 0 257.337 2.123 10 0 CEAERP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000052758462 527253730 /nfs/dbraw/zinc/25/37/30/527253730.db2.gz VSONPLQREYPMNK-AWEZNQCLSA-N 2 0 266.360 2.021 10 0 CEAERP [NH3+][C@H]1CCCC[C@@H]1CN1CCC([NH+]2CCCCC2)CC1 ZINC000053858563 527396089 /nfs/dbraw/zinc/39/60/89/527396089.db2.gz SXNPOMZPDYDLMV-WBVHZDCISA-N 2 0 279.472 2.454 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091391860 535478645 /nfs/dbraw/zinc/47/86/45/535478645.db2.gz FAWDLNPZYICOAS-OAHLLOKOSA-N 2 0 279.403 2.466 10 0 CEAERP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000312122716 628136030 /nfs/dbraw/zinc/13/60/30/628136030.db2.gz WQLGIDZYVFRQFF-QLFBSQMISA-N 2 0 286.485 2.097 10 0 CEAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009631 628242150 /nfs/dbraw/zinc/24/21/50/628242150.db2.gz YIJSCALGRVOVFU-MGPQQGTHSA-N 2 0 299.459 2.314 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000236896920 628741013 /nfs/dbraw/zinc/74/10/13/628741013.db2.gz BVKLIALFLPULFP-XHDPSFHLSA-N 2 0 277.412 2.369 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553160 628936749 /nfs/dbraw/zinc/93/67/49/628936749.db2.gz SESSNRWAFOAXPJ-QXAKKESOSA-N 2 0 299.462 2.239 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606188 628946373 /nfs/dbraw/zinc/94/63/73/628946373.db2.gz RMCHZKLPJIECOG-NILFDRSVSA-N 2 0 280.799 2.388 10 0 CEAERP Cc1n[nH]c(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261622815 628950799 /nfs/dbraw/zinc/95/07/99/628950799.db2.gz DOKPLXXJBPXSLA-WBVHZDCISA-N 2 0 284.407 2.201 10 0 CEAERP C[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)(C)C ZINC000082440815 178019074 /nfs/dbraw/zinc/01/90/74/178019074.db2.gz RDUZCKUVONXLLW-UHFFFAOYSA-N 2 0 255.431 2.264 10 0 CEAERP C[NH+](C)CCN1CCC[C@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096071419 185086828 /nfs/dbraw/zinc/08/68/28/185086828.db2.gz PDTZKFSIBWLBRO-KRWDZBQOSA-N 2 0 291.439 2.272 10 0 CEAERP CC(C)CC[N@H+](CCCC[C@@](C)(O)C[NH3+])C1CC1 ZINC000096837356 185116373 /nfs/dbraw/zinc/11/63/73/185116373.db2.gz XXHSDPDGNACKDS-OAHLLOKOSA-N 2 0 256.434 2.377 10 0 CEAERP COc1ccc(CN(C)[C@H]2CCC[NH2+]CC2)c(F)c1 ZINC000226465276 344550418 /nfs/dbraw/zinc/55/04/18/344550418.db2.gz XIIBJLPXGWXZBW-ZDUSSCGKSA-N 2 0 266.360 2.408 10 0 CEAERP C[C@@H]1CC2(CC[N@H+](CCC[NH+](C)C)C2)C[C@@H](C)O1 ZINC000584640947 344972258 /nfs/dbraw/zinc/97/22/58/344972258.db2.gz WIKJZUNLRCPHQY-ZIAGYGMSSA-N 2 0 254.418 2.218 10 0 CEAERP C[C@@H]1C[C@@H](C)CC(C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000084470450 178893519 /nfs/dbraw/zinc/89/35/19/178893519.db2.gz QSGJXPJIBBMQEJ-HUUCEWRRSA-N 2 0 267.461 2.168 10 0 CEAERP C[NH2+]Cc1cn(CC[NH+]2CCCC2)c2ccccc12 ZINC000084848382 178929569 /nfs/dbraw/zinc/92/95/69/178929569.db2.gz INKRZTZBEUPANV-UHFFFAOYSA-N 2 0 257.381 2.457 10 0 CEAERP C[C@H]1CC[C@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C[C@@H]1C ZINC000085025550 178942971 /nfs/dbraw/zinc/94/29/71/178942971.db2.gz HUYAXOYTJFJHQX-KKUMJFAQSA-N 2 0 267.461 2.166 10 0 CEAERP C[C@@H](C[NH3+])CN1CCC[N@@H+](C2CCC(C)CC2)CC1 ZINC000085070155 178946964 /nfs/dbraw/zinc/94/69/64/178946964.db2.gz NXWNRTUMWBTLEY-PCKAHOCUSA-N 2 0 267.461 2.168 10 0 CEAERP CCC(CC)[N@H+](CCCC[C@@](C)(O)C[NH3+])CCOC ZINC000085301543 179009745 /nfs/dbraw/zinc/00/97/45/179009745.db2.gz NKWZCLVMXKAIHA-OAHLLOKOSA-N 2 0 274.449 2.003 10 0 CEAERP C[N@H+](CCCC[C@](C)(O)C[NH3+])CC1CCCCC1 ZINC000085301638 179010659 /nfs/dbraw/zinc/01/06/59/179010659.db2.gz GHWMVTPCWJCWET-HNNXBMFYSA-N 2 0 256.434 2.379 10 0 CEAERP CCCc1nc2c(n1C[C@@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572505 179096851 /nfs/dbraw/zinc/09/68/51/179096851.db2.gz KKODFVIIGQTTPY-CQSZACIVSA-N 2 0 290.455 2.212 10 0 CEAERP CCCc1nc2c(n1C[C@@H](C)[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085573451 179098469 /nfs/dbraw/zinc/09/84/69/179098469.db2.gz CLWKKPAYHHRGIO-CQSZACIVSA-N 2 0 290.455 2.356 10 0 CEAERP CCc1nc2c(n1[C@@H](C)C[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085574272 179099085 /nfs/dbraw/zinc/09/90/85/179099085.db2.gz NEUHPMNGQHMZOX-ZDUSSCGKSA-N 2 0 276.428 2.138 10 0 CEAERP CCC1(CC)C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085617485 179103604 /nfs/dbraw/zinc/10/36/04/179103604.db2.gz AJVKPLMLLZRZLX-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623669 179105550 /nfs/dbraw/zinc/10/55/50/179105550.db2.gz YCYSHJBBKDOSIJ-QEJZJMRPSA-N 2 0 252.402 2.018 10 0 CEAERP C[C@@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086174301 179245655 /nfs/dbraw/zinc/24/56/55/179245655.db2.gz ULKGADNLNFBVNH-AEFFLSMTSA-N 2 0 289.467 2.233 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217881 179249841 /nfs/dbraw/zinc/24/98/41/179249841.db2.gz CJWRHOQCJOBSSB-HOTGVXAUSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223044 179251198 /nfs/dbraw/zinc/25/11/98/179251198.db2.gz KWYBSMGXXBRCRR-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086225429 179253471 /nfs/dbraw/zinc/25/34/71/179253471.db2.gz JOZPVFDPRPPRJW-RRFJBIMHSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225379 179253523 /nfs/dbraw/zinc/25/35/23/179253523.db2.gz RAQJKXGKLWTJRC-GVDBMIGSSA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259208 179258314 /nfs/dbraw/zinc/25/83/14/179258314.db2.gz ZFLSCRZRLAVYLQ-NXHRZFHOSA-N 2 0 293.499 2.427 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288736 179264144 /nfs/dbraw/zinc/26/41/44/179264144.db2.gz OZTLHVHKWKCLBR-MRXNPFEDSA-N 2 0 259.397 2.088 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288737 179264317 /nfs/dbraw/zinc/26/43/17/179264317.db2.gz OZTLHVHKWKCLBR-INIZCTEOSA-N 2 0 259.397 2.088 10 0 CEAERP CC(C)(C)[C@@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288766 179264703 /nfs/dbraw/zinc/26/47/03/179264703.db2.gz VJZNWRQLKGOBMB-HNNXBMFYSA-N 2 0 261.413 2.334 10 0 CEAERP CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259030 179256458 /nfs/dbraw/zinc/25/64/58/179256458.db2.gz WNIJJWNAYOJPMA-OAHLLOKOSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293000 179266343 /nfs/dbraw/zinc/26/63/43/179266343.db2.gz FQVAPDXTDAHQCT-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086442778 179293899 /nfs/dbraw/zinc/29/38/99/179293899.db2.gz GPJQTOWXEXEUBO-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP CC[NH+]1CCC(CNC2=[NH+]C[C@H](C)CS2)CC1 ZINC000086633147 179315065 /nfs/dbraw/zinc/31/50/65/179315065.db2.gz ZDBBEZKYEDAWQU-NSHDSACASA-N 2 0 255.431 2.047 10 0 CEAERP C[C@H]1CCC[C@@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086677174 179319103 /nfs/dbraw/zinc/31/91/03/179319103.db2.gz UQYFLFSAVWRVSZ-RDJZCZTQSA-N 2 0 279.472 2.312 10 0 CEAERP COc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086817243 179345288 /nfs/dbraw/zinc/34/52/88/179345288.db2.gz HESVDIAGIHSLHR-AWEZNQCLSA-N 2 0 278.396 2.278 10 0 CEAERP C[N@@H+]1CCC[C@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817350 179345338 /nfs/dbraw/zinc/34/53/38/179345338.db2.gz JVMXMIZUSDXZTP-ZDUSSCGKSA-N 2 0 267.461 2.370 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848297 179356065 /nfs/dbraw/zinc/35/60/65/179356065.db2.gz LDAJSXCALOQPMN-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848258 179356227 /nfs/dbraw/zinc/35/62/27/179356227.db2.gz BJYFLOCROUVZDN-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H](C)C(C)C)CC1 ZINC000086847146 179356847 /nfs/dbraw/zinc/35/68/47/179356847.db2.gz IDKSAFOTGFYQRI-LSDHHAIUSA-N 2 0 255.450 2.166 10 0 CEAERP CCN(C1CCCC1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847019 179356987 /nfs/dbraw/zinc/35/69/87/179356987.db2.gz FOMZQTVUBKSBFL-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP C[N@@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086833531 179349927 /nfs/dbraw/zinc/34/99/27/179349927.db2.gz YFMBVBPZGWMTHH-HRCADAONSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840925 179352485 /nfs/dbraw/zinc/35/24/85/179352485.db2.gz NUDNULNALDYOEY-INIZCTEOSA-N 2 0 261.413 2.478 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841994 179353898 /nfs/dbraw/zinc/35/38/98/179353898.db2.gz LPKNVCQPTPFKME-GJZGRUSLSA-N 2 0 283.460 2.145 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844761 179354398 /nfs/dbraw/zinc/35/43/98/179354398.db2.gz WSVWOTOZQVPJKD-ZDUSSCGKSA-N 2 0 267.442 2.458 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844104 179354915 /nfs/dbraw/zinc/35/49/15/179354915.db2.gz YZKFOJBFKGWYIS-SHARSMKWSA-N 3 0 253.434 2.110 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851229 179359649 /nfs/dbraw/zinc/35/96/49/179359649.db2.gz MCJBUEUKVGVBKM-INIZCTEOSA-N 3 0 267.461 2.312 10 0 CEAERP CCOC(=O)C[C@]1([NH+]2CCCC2)CCC[N@H+](CC)CC1 ZINC000086868524 179360641 /nfs/dbraw/zinc/36/06/41/179360641.db2.gz MVADIOHKCDFKQA-INIZCTEOSA-N 2 0 282.428 2.280 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000086869865 179363715 /nfs/dbraw/zinc/36/37/15/179363715.db2.gz PXCBDKNIWUOAOG-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[N@@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849657 179358407 /nfs/dbraw/zinc/35/84/07/179358407.db2.gz ZIGBMEURGPHNBJ-INIZCTEOSA-N 2 0 281.444 2.029 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086850960 179359349 /nfs/dbraw/zinc/35/93/49/179359349.db2.gz CUAXWOBTWKMSST-MRXNPFEDSA-N 3 0 267.461 2.181 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000086891452 179365926 /nfs/dbraw/zinc/36/59/26/179365926.db2.gz WKLFHSKKJRSIFZ-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086891294 179366237 /nfs/dbraw/zinc/36/62/37/179366237.db2.gz CROVVDPPUYFATI-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP C[N@@H+]1CCCN([C@@]2(C[NH3+])CCCC(C)(C)CC2)CC1 ZINC000086910571 179367121 /nfs/dbraw/zinc/36/71/21/179367121.db2.gz JHCYLNBEMMHWBJ-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086943912 179368215 /nfs/dbraw/zinc/36/82/15/179368215.db2.gz LYHOSJHTCWCAGT-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[C@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952101 179368740 /nfs/dbraw/zinc/36/87/40/179368740.db2.gz PROHLWCQSMQSRC-JKSUJKDBSA-N 2 0 268.445 2.393 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@](C)(O)CC)CC1 ZINC000087012011 179378915 /nfs/dbraw/zinc/37/89/15/179378915.db2.gz FGBFXXQVHRVBOP-DZGCQCFKSA-N 2 0 256.434 2.248 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087621135 179456262 /nfs/dbraw/zinc/45/62/62/179456262.db2.gz ISTQVZSLLVAFND-WBVHZDCISA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000087912795 179520864 /nfs/dbraw/zinc/52/08/64/179520864.db2.gz QCHLFGOYVWWGAX-AWEZNQCLSA-N 2 0 275.396 2.364 10 0 CEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1cc(C)sc1C ZINC000087912695 179520990 /nfs/dbraw/zinc/52/09/90/179520990.db2.gz ZMFVBUBGJFZJTK-CQSZACIVSA-N 2 0 269.458 2.296 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(Nc2ccccc2F)CC1 ZINC000087916179 179522919 /nfs/dbraw/zinc/52/29/19/179522919.db2.gz DXLSRUFJNPVBBE-UHFFFAOYSA-N 2 0 265.376 2.441 10 0 CEAERP CCC[NH2+][C@@H]1CCOC[C@H]1SCC[NH+](CC)CC ZINC000088736348 179661725 /nfs/dbraw/zinc/66/17/25/179661725.db2.gz GQRGRRGCBWBMBB-ZIAGYGMSSA-N 2 0 274.474 2.219 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000089483360 179801256 /nfs/dbraw/zinc/80/12/56/179801256.db2.gz OXAYLCJXTJVVEJ-SJORKVTESA-N 3 0 279.472 2.169 10 0 CEAERP CC[NH2+]C[C@@]1(CN2CC[NH+](C)CC2)CCC[C@H](C)C1 ZINC000089613178 179829605 /nfs/dbraw/zinc/82/96/05/179829605.db2.gz JFGLFIKEYOTJRU-JKSUJKDBSA-N 2 0 267.461 2.040 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCCC[C@@H]1CC ZINC000090566098 180005295 /nfs/dbraw/zinc/00/52/95/180005295.db2.gz DGCPYEGTTODRSW-QLFBSQMISA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCC(CC)CC1 ZINC000090566352 180005462 /nfs/dbraw/zinc/00/54/62/180005462.db2.gz YGLXTOZEATYNNC-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP [NH3+]C[C@H](C[NH2+]CCc1cscn1)c1ccccc1 ZINC000104443797 186003969 /nfs/dbraw/zinc/00/39/69/186003969.db2.gz NNRLJJGQCPATDC-CYBMUJFWSA-N 2 0 261.394 2.018 10 0 CEAERP CCC[C@]1(C[NH2+]CCc2cscn2)CCC[NH2+]C1 ZINC000104446328 186004788 /nfs/dbraw/zinc/00/47/88/186004788.db2.gz SGJCOVVIMCMQAG-AWEZNQCLSA-N 2 0 267.442 2.445 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894310 180056135 /nfs/dbraw/zinc/05/61/35/180056135.db2.gz ATEYGABWDGAWQE-MRXNPFEDSA-N 2 0 292.398 2.451 10 0 CEAERP [NH3+]CCc1nc(C[NH+]2CCc3ccccc3CC2)cs1 ZINC000090958742 180074481 /nfs/dbraw/zinc/07/44/81/180074481.db2.gz JQNBPEZAZDJYSC-UHFFFAOYSA-N 2 0 287.432 2.245 10 0 CEAERP C[N@H+](Cc1csc(CC[NH3+])n1)C1CCCCC1 ZINC000090957955 180074886 /nfs/dbraw/zinc/07/48/86/180074886.db2.gz SLFQDDBWDMMOSL-UHFFFAOYSA-N 2 0 253.415 2.409 10 0 CEAERP CC(C)[N@@H+]1CCO[C@H](Cn2cc(C[NH3+])c3ccccc32)C1 ZINC000090994991 180082794 /nfs/dbraw/zinc/08/27/94/180082794.db2.gz GECZJQQSYGLDQJ-HNNXBMFYSA-N 2 0 287.407 2.209 10 0 CEAERP CC(C)[NH2+]Cc1cccn1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000091001067 180083542 /nfs/dbraw/zinc/08/35/42/180083542.db2.gz GGTMDEQKNRVGFV-INIZCTEOSA-N 2 0 279.428 2.095 10 0 CEAERP c1cc(C[N@@H+](CC[C@@H]2C[NH2+]CCO2)C2CC2)cs1 ZINC000091313819 180132879 /nfs/dbraw/zinc/13/28/79/180132879.db2.gz POWNAWFSZQQZSP-CQSZACIVSA-N 2 0 266.410 2.091 10 0 CEAERP CCCc1c(C[NH2+]C(C)(C)C)cnn1CC[NH+](C)C ZINC000091338538 180136355 /nfs/dbraw/zinc/13/63/55/180136355.db2.gz IMFXZAXMMSHBRX-UHFFFAOYSA-N 2 0 266.433 2.285 10 0 CEAERP CC[N@@H+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1C ZINC000091362845 180142523 /nfs/dbraw/zinc/14/25/23/180142523.db2.gz YYNDDWLNQNMWEG-QAETUUGQSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091433159 180153745 /nfs/dbraw/zinc/15/37/45/180153745.db2.gz DERZYAWYQOIHLM-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432653 180153786 /nfs/dbraw/zinc/15/37/86/180153786.db2.gz BEKJUIBRZJVPGZ-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091467971 180164169 /nfs/dbraw/zinc/16/41/69/180164169.db2.gz FQIGHIILSXUQNU-JKSUJKDBSA-N 2 0 262.397 2.013 10 0 CEAERP CCC[NH2+]CC[C@@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091467778 180164399 /nfs/dbraw/zinc/16/43/99/180164399.db2.gz AJTYNAFSMGOKBH-MRXNPFEDSA-N 2 0 280.412 2.390 10 0 CEAERP CO[C@H]1CCC[C@@H]([NH+]2CCC(C[NH3+])(SC)CC2)C1 ZINC000091474107 180165524 /nfs/dbraw/zinc/16/55/24/180165524.db2.gz ATWXCAMMMSELRL-OLZOCXBDSA-N 2 0 272.458 2.100 10 0 CEAERP CCn1nc(C[N@H+](C)CC2CC([NH3+])C2)c2ccccc21 ZINC000091471643 180165776 /nfs/dbraw/zinc/16/57/76/180165776.db2.gz WOKYMMJMXDFYLQ-UHFFFAOYSA-N 2 0 272.396 2.225 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)C[N@H+](C)CC1CC(O)C1 ZINC000091490135 180168795 /nfs/dbraw/zinc/16/87/95/180168795.db2.gz BIKBLOVXWLVHRE-NRXISQOPSA-N 2 0 256.434 2.105 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C ZINC000091427433 180152042 /nfs/dbraw/zinc/15/20/42/180152042.db2.gz SDBZUNDNIHOGQA-PWSUYJOCSA-N 2 0 282.457 2.262 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427223 180152052 /nfs/dbraw/zinc/15/20/52/180152052.db2.gz NMXKRZIGGHAOLG-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427271 180152151 /nfs/dbraw/zinc/15/21/51/180152151.db2.gz NHPLKMUFOJEGKO-HRCADAONSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+]CC1(CN2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC000091427240 180152385 /nfs/dbraw/zinc/15/23/85/180152385.db2.gz GCTXZGYVFKHRDC-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@](C)([C@@H]([NH3+])CC1CCOCC1)[NH+]1CCCC1 ZINC000091604761 180204668 /nfs/dbraw/zinc/20/46/68/180204668.db2.gz VDBWPLGMQUXVLM-GJZGRUSLSA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH+](CC)C(CC)(CC)[C@H](N)Cc1c[nH+]ccc1N ZINC000091615841 180208131 /nfs/dbraw/zinc/20/81/31/180208131.db2.gz BEVLDPMROCANPI-OAHLLOKOSA-N 2 0 278.444 2.434 10 0 CEAERP CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091523054 180177949 /nfs/dbraw/zinc/17/79/49/180177949.db2.gz UHPRTQNJHIEBEO-GOEBONIOSA-N 2 0 262.397 2.360 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527977 180179976 /nfs/dbraw/zinc/17/99/76/180179976.db2.gz OSMXUNOFLGENOM-NVXWUHKLSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH+](CC)CC[C@H](Cc1nn(C)c2ccccc12)[NH2+]C ZINC000091716053 180231980 /nfs/dbraw/zinc/23/19/80/180231980.db2.gz AGPMETQBHONQIJ-CQSZACIVSA-N 2 0 288.439 2.436 10 0 CEAERP [NH3+][C@H](Cc1cccc(Cl)c1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720798 180236698 /nfs/dbraw/zinc/23/66/98/180236698.db2.gz ORPPNBCYXMVOLW-KFWWJZLASA-N 2 0 280.799 2.073 10 0 CEAERP [NH3+][C@H](CCCc1ccccc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720840 180236713 /nfs/dbraw/zinc/23/67/13/180236713.db2.gz XYZKPXCXPIHWAP-BRWVUGGUSA-N 2 0 274.408 2.200 10 0 CEAERP CC[NH2+][C@H](C)c1cccn1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000091802150 180259508 /nfs/dbraw/zinc/25/95/08/180259508.db2.gz BICMHBUCVDQMRO-HUUCEWRRSA-N 2 0 279.428 2.268 10 0 CEAERP CCn1nc(C)cc1C[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850790 180272389 /nfs/dbraw/zinc/27/23/89/180272389.db2.gz OYCKUASCALIOFU-UHFFFAOYSA-N 2 0 264.417 2.303 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCC[C@@H]1O ZINC000091852391 180272714 /nfs/dbraw/zinc/27/27/14/180272714.db2.gz UZBMOTZEMCLVQN-WUCCLRPBSA-N 2 0 254.418 2.272 10 0 CEAERP CC(C)N1CCC([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844392 180269385 /nfs/dbraw/zinc/26/93/85/180269385.db2.gz DEWMPMFWLYZLQV-UHFFFAOYSA-N 2 0 253.434 2.061 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870455 180276809 /nfs/dbraw/zinc/27/68/09/180276809.db2.gz CMSBQVZKSIZBAK-ZUJMUWTESA-N 2 0 283.460 2.142 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@H]2CCCC[C@@H]2O)CC1 ZINC000091870459 180276924 /nfs/dbraw/zinc/27/69/24/180276924.db2.gz KVYCJSFTLSSSGU-WUCCLRPBSA-N 2 0 254.418 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2cccc(C)c2)CC1 ZINC000091870620 180277024 /nfs/dbraw/zinc/27/70/24/180277024.db2.gz WJPNTAIPMKZDPE-UHFFFAOYSA-N 2 0 289.423 2.396 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000091870562 180277213 /nfs/dbraw/zinc/27/72/13/180277213.db2.gz GMXULRMLHLCJPK-FHERZECASA-N 2 0 295.471 2.240 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)Cc2cc(C)nn2C)CC1 ZINC000091870439 180277335 /nfs/dbraw/zinc/27/73/35/180277335.db2.gz WKXHOVAYVCXIBQ-UHFFFAOYSA-N 2 0 264.417 2.081 10 0 CEAERP Cc1ccc(OCCC[NH+]2CCCC2)c(C[C@H](C)[NH3+])n1 ZINC000091999813 180303729 /nfs/dbraw/zinc/30/37/29/180303729.db2.gz BMDZWBZQHWYQGU-ZDUSSCGKSA-N 2 0 277.412 2.144 10 0 CEAERP C[C@@H]([NH3+])c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001850 180303951 /nfs/dbraw/zinc/30/39/51/180303951.db2.gz MAASQCLTXZHHGH-MCIONIFRSA-N 2 0 259.397 2.379 10 0 CEAERP CC[NH2+]CC1(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000092003090 180304642 /nfs/dbraw/zinc/30/46/42/180304642.db2.gz ZAOBCTQXSOIKIB-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1C ZINC000092004873 180305963 /nfs/dbraw/zinc/30/59/63/180305963.db2.gz WZOXBIAFWNVFMA-OLZOCXBDSA-N 2 0 294.468 2.234 10 0 CEAERP C[C@H]1C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1C ZINC000092082098 180319351 /nfs/dbraw/zinc/31/93/51/180319351.db2.gz VSZIKZGBJOKAFQ-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2C[C@H](C)[C@H](C)C2)CC1 ZINC000092083017 180320585 /nfs/dbraw/zinc/32/05/85/180320585.db2.gz YGSPZZPTKZDWFV-XHSDSOJGSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@H](CC(N)=[NH2+])[N@H+](C)CCSc1ccccc1 ZINC000092262347 180354945 /nfs/dbraw/zinc/35/49/45/180354945.db2.gz KYNRXRPUNWBHDH-LLVKDONJSA-N 2 0 251.399 2.425 10 0 CEAERP NC(=[NH2+])[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000092348161 180367576 /nfs/dbraw/zinc/36/75/76/180367576.db2.gz UXQOLETYLQPZJU-ZDUSSCGKSA-N 2 0 268.364 2.383 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[N@H+](C)[C@@H](CC)C2)c1 ZINC000092419222 180382013 /nfs/dbraw/zinc/38/20/13/180382013.db2.gz MXWYJDYSAWAINN-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CC[NH2+][C@H](C)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496296 186256607 /nfs/dbraw/zinc/25/66/07/186256607.db2.gz VEMBHGHCXWWDBP-NWDGAFQWSA-N 2 0 268.405 2.055 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000109603638 186266476 /nfs/dbraw/zinc/26/64/76/186266476.db2.gz SJPGBTGEOKZXQE-CABCVRRESA-N 2 0 282.428 2.169 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000109603672 186267063 /nfs/dbraw/zinc/26/70/63/186267063.db2.gz ORDMHCWOKKVIJA-MRXNPFEDSA-N 2 0 290.407 2.352 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000109604096 186268084 /nfs/dbraw/zinc/26/80/84/186268084.db2.gz JVQUBNBVCQJSQZ-OAHLLOKOSA-N 2 0 276.380 2.063 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109684943 186269117 /nfs/dbraw/zinc/26/91/17/186269117.db2.gz ZANOPPNHRJQQHK-RBSFLKMASA-N 2 0 282.428 2.312 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCCC[N@@H+]1C ZINC000110629949 186307359 /nfs/dbraw/zinc/30/73/59/186307359.db2.gz GPAZBKMURLFDDQ-JTQLQIEISA-N 2 0 292.358 2.251 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCC[C@@H](C)CC1)C(N)=O ZINC000110809304 186326635 /nfs/dbraw/zinc/32/66/35/186326635.db2.gz NUTNLTKJJSQVEQ-ZBFHGGJFSA-N 2 0 283.460 2.131 10 0 CEAERP CC[NH2+]C[C@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000110842071 186328296 /nfs/dbraw/zinc/32/82/96/186328296.db2.gz JKAYJEWFUOJDIT-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[C@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)CC[N@@H+]1C ZINC000110694765 186313358 /nfs/dbraw/zinc/31/33/58/186313358.db2.gz YTPSZGAQNURWOZ-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704125 186314836 /nfs/dbraw/zinc/31/48/36/186314836.db2.gz KQYZOJCCDHCZBH-DAXOMENPSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CC[N@@H+]1C ZINC000110722308 186317239 /nfs/dbraw/zinc/31/72/39/186317239.db2.gz VDBLWUKSICUDKZ-GJZGRUSLSA-N 2 0 274.412 2.080 10 0 CEAERP C[C@@H]1CN(Cc2occc2C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110751539 186319866 /nfs/dbraw/zinc/31/98/66/186319866.db2.gz UWWVNWJJJDSMEX-CYBMUJFWSA-N 2 0 279.428 2.304 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CC[N@H+](C)C(C)(C)C2)nc1C ZINC000110758729 186319942 /nfs/dbraw/zinc/31/99/42/186319942.db2.gz YSJONWXOIQYRNS-SNVBAGLBSA-N 2 0 282.457 2.262 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039975 186347046 /nfs/dbraw/zinc/34/70/46/186347046.db2.gz OMMXUDOOJDPPSY-SWLSCSKDSA-N 2 0 297.393 2.381 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111131748 186356570 /nfs/dbraw/zinc/35/65/70/186356570.db2.gz VVCWYLKUEWLLHU-SWLSCSKDSA-N 2 0 267.392 2.098 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)s1 ZINC000111133322 186356804 /nfs/dbraw/zinc/35/68/04/186356804.db2.gz BUBCMYHYZQHVDR-AWEZNQCLSA-N 2 0 269.458 2.248 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000111135265 186356911 /nfs/dbraw/zinc/35/69/11/186356911.db2.gz UOKMGGNULRKTCN-AWEZNQCLSA-N 2 0 275.396 2.187 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1C ZINC000111134608 186357200 /nfs/dbraw/zinc/35/72/00/186357200.db2.gz QATSWPXJJKWZRG-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP CC(C)c1ccc([C@@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111135190 186357299 /nfs/dbraw/zinc/35/72/99/186357299.db2.gz IDHVGVCQRTYXTF-INIZCTEOSA-N 2 0 263.429 2.303 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CCC[NH+](C)C ZINC000111148125 186358312 /nfs/dbraw/zinc/35/83/12/186358312.db2.gz OACIRFITWOCLAB-RDJZCZTQSA-N 2 0 277.456 2.467 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)CC[NH+](C)C ZINC000111147472 186358640 /nfs/dbraw/zinc/35/86/40/186358640.db2.gz UZJQCVSFOGKJAE-WBVHZDCISA-N 2 0 277.456 2.467 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@@H]([NH3+])c1cccc(F)c1 ZINC000111147669 186359597 /nfs/dbraw/zinc/35/95/97/186359597.db2.gz CDELGTGEDWQGFR-OAHLLOKOSA-N 2 0 267.392 2.099 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000111150381 186360047 /nfs/dbraw/zinc/36/00/47/186360047.db2.gz HQLJGWJWZKTCSQ-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000111175705 186365750 /nfs/dbraw/zinc/36/57/50/186365750.db2.gz QCPUXJXVXUKSMD-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP CC[C@@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179161 186366051 /nfs/dbraw/zinc/36/60/51/186366051.db2.gz AVKLWFSGRAVHSO-LSDHHAIUSA-N 2 0 254.418 2.125 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324392 186396933 /nfs/dbraw/zinc/39/69/33/186396933.db2.gz NGKLGQUSAFIELF-IAGOWNOFSA-N 2 0 298.471 2.018 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)C2CC2)CCCOC1 ZINC000111324691 186398353 /nfs/dbraw/zinc/39/83/53/186398353.db2.gz YBGBPYUQCPBCIR-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+][C@H](C)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000111710029 186449334 /nfs/dbraw/zinc/44/93/34/186449334.db2.gz FAFVXSYXEQLWMA-KBMXLJTQSA-N 2 0 268.445 2.390 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000111709640 186449677 /nfs/dbraw/zinc/44/96/77/186449677.db2.gz XLXOJXNGSKDWIU-AWEZNQCLSA-N 2 0 297.487 2.391 10 0 CEAERP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000570918455 299285286 /nfs/dbraw/zinc/28/52/86/299285286.db2.gz LVXKSLDHMQMZJQ-AAEUAGOBSA-N 2 0 268.351 2.485 10 0 CEAERP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000570918456 299285484 /nfs/dbraw/zinc/28/54/84/299285484.db2.gz LVXKSLDHMQMZJQ-DGCLKSJQSA-N 2 0 268.351 2.485 10 0 CEAERP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000580289939 366776411 /nfs/dbraw/zinc/77/64/11/366776411.db2.gz NVLAMCCPLILZKJ-DZGCQCFKSA-N 2 0 262.397 2.215 10 0 CEAERP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000162616641 367173346 /nfs/dbraw/zinc/17/33/46/367173346.db2.gz PRYDOPYTDAMHAJ-JKSUJKDBSA-N 2 0 297.487 2.201 10 0 CEAERP O[C@@H](C[NH2+][C@H]1CCC12CCCC2)C[NH+]1CCCCC1 ZINC000189080543 369453757 /nfs/dbraw/zinc/45/37/57/369453757.db2.gz KZZJMBZPOFNDJD-GJZGRUSLSA-N 2 0 266.429 2.146 10 0 CEAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192641225 369838088 /nfs/dbraw/zinc/83/80/88/369838088.db2.gz LRFOTNLBVONZFC-ZNMIVQPWSA-N 2 0 254.418 2.121 10 0 CEAERP COc1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1O ZINC000234991058 370553490 /nfs/dbraw/zinc/55/34/90/370553490.db2.gz ZHGAMUNGEIQJHQ-CQSZACIVSA-N 2 0 290.407 2.365 10 0 CEAERP Brc1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1 ZINC000258991107 371621767 /nfs/dbraw/zinc/62/17/67/371621767.db2.gz MNXIEPGEPPLVFV-UHFFFAOYSA-N 2 0 283.213 2.333 10 0 CEAERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261581491 371660903 /nfs/dbraw/zinc/66/09/03/371660903.db2.gz GESGXVNZQWBSCS-BPUTZDHNSA-N 2 0 260.381 2.254 10 0 CEAERP CCc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)nc(C)n1 ZINC000272865741 373685394 /nfs/dbraw/zinc/68/53/94/373685394.db2.gz MVZQISBTRGBRKS-LSDHHAIUSA-N 2 0 274.412 2.410 10 0 CEAERP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307226637 376560610 /nfs/dbraw/zinc/56/06/10/376560610.db2.gz VUIBAYGKFDAQJI-XYVMCAHJSA-N 2 0 287.451 2.461 10 0 CEAERP [NH3+]C1CCC([NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000423006382 376925877 /nfs/dbraw/zinc/92/58/77/376925877.db2.gz OLGALLIVDFDGQQ-YMAMQOFZSA-N 2 0 254.418 2.177 10 0 CEAERP CC(C)[NH2+][C@@](C)(CO)CCC[NH+]1CCC(C)CC1 ZINC000085217844 184605198 /nfs/dbraw/zinc/60/51/98/184605198.db2.gz GRNMFZYQVTZUSH-OAHLLOKOSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[C@@H]1CCC[N@H+](CCN2CCC([NH3+])CC2)CC1 ZINC000092721548 184623271 /nfs/dbraw/zinc/62/32/71/184623271.db2.gz CGYMFXLOXCLFNP-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@H+](CC(C)(C)O)CC1(C[NH2+]C)CCCCC1 ZINC000092983443 184640492 /nfs/dbraw/zinc/64/04/92/184640492.db2.gz FEQZCKLTFZCVJS-UHFFFAOYSA-N 2 0 256.434 2.249 10 0 CEAERP CCCc1ccc([C@]2(C)CNC(=[NH2+])N2CC[NH+](C)C)cc1 ZINC000093374652 184668000 /nfs/dbraw/zinc/66/80/00/184668000.db2.gz ORBLUONFLTZUMU-KRWDZBQOSA-N 2 0 288.439 2.046 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093471786 184680940 /nfs/dbraw/zinc/68/09/40/184680940.db2.gz BRXFRLLHGXSSJM-JONQDZQNSA-N 2 0 266.429 2.456 10 0 CEAERP [NH3+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCCCCCC1 ZINC000093615790 184695900 /nfs/dbraw/zinc/69/59/00/184695900.db2.gz OXJMLQUSUQSAPP-LSDHHAIUSA-N 2 0 254.418 2.133 10 0 CEAERP CCC[NH+]1CCN(C[C@H]2CCC(C)(C)[C@H]2[NH2+]CC)CC1 ZINC000094315776 184779496 /nfs/dbraw/zinc/77/94/96/184779496.db2.gz GQEKYOQONLZCTO-CVEARBPZSA-N 2 0 281.488 2.428 10 0 CEAERP C[N@H+](CC1CC([NH3+])C1)[C@H]1CCOC2(CCSCC2)C1 ZINC000094413545 184794647 /nfs/dbraw/zinc/79/46/47/184794647.db2.gz IBNPMRZXCHWGLL-RUXDESIVSA-N 2 0 284.469 2.100 10 0 CEAERP COc1ccc2c(c1)CC[C@H](SCC[NH+](C)C)[C@H]2[NH3+] ZINC000095021383 184916861 /nfs/dbraw/zinc/91/68/61/184916861.db2.gz JEPWHIRIKVPOGS-GJZGRUSLSA-N 2 0 280.437 2.305 10 0 CEAERP C[C@@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400464957 533382932 /nfs/dbraw/zinc/38/29/32/533382932.db2.gz VTTNQHBUBYBLRX-GDBMZVCRSA-N 2 0 273.424 2.027 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cc(Cl)ccc2C[NH3+])C1 ZINC000091394618 135069087 /nfs/dbraw/zinc/06/90/87/135069087.db2.gz XVDQVNWVVHQRCZ-ZDUSSCGKSA-N 2 0 267.804 2.329 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091429790 135070002 /nfs/dbraw/zinc/07/00/02/135070002.db2.gz GAUUGVUNQUXFCI-CJNGLKHVSA-N 2 0 261.413 2.107 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091429789 135070032 /nfs/dbraw/zinc/07/00/32/135070032.db2.gz GAUUGVUNQUXFCI-BBRMVZONSA-N 2 0 261.413 2.107 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091449782 135070675 /nfs/dbraw/zinc/07/06/75/135070675.db2.gz BLCPBCKWGJZAIQ-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP C[NH+](C)CC1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000093395323 135080202 /nfs/dbraw/zinc/08/02/02/135080202.db2.gz DZSYYZBMGLDJOS-UHFFFAOYSA-N 2 0 265.376 2.062 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc1 ZINC000094443164 135088474 /nfs/dbraw/zinc/08/84/74/135088474.db2.gz JCFIJHVBAQZMKW-MRXNPFEDSA-N 2 0 288.439 2.254 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C(C)(C)C ZINC000324462840 394550132 /nfs/dbraw/zinc/55/01/32/394550132.db2.gz YMPKQIHXBFLIEQ-RDBSUJKOSA-N 2 0 256.434 2.294 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000130103135 394881192 /nfs/dbraw/zinc/88/11/92/394881192.db2.gz JQAINLFEVROKFP-CYBMUJFWSA-N 2 0 299.459 2.173 10 0 CEAERP COCc1nc(C[NH2+]C(C)(C)CCC[NH+](C)C)cs1 ZINC000648752661 395974888 /nfs/dbraw/zinc/97/48/88/395974888.db2.gz GTMLFUSNHNTBOC-UHFFFAOYSA-N 2 0 285.457 2.500 10 0 CEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000263252640 154046205 /nfs/dbraw/zinc/04/62/05/154046205.db2.gz QCHCDVQFWXBEEH-ZFWWWQNUSA-N 2 0 288.416 2.085 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](CCSC)C1 ZINC000171634847 165051212 /nfs/dbraw/zinc/05/12/12/165051212.db2.gz UHHMJRPRXRFYFG-GFCCVEGCSA-N 2 0 253.415 2.445 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](CCSC)C1 ZINC000171634850 165051369 /nfs/dbraw/zinc/05/13/69/165051369.db2.gz UHHMJRPRXRFYFG-LBPRGKRZSA-N 2 0 253.415 2.445 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000020179536 171044586 /nfs/dbraw/zinc/04/45/86/171044586.db2.gz HTTVQZJJNCQTSY-QGZVFWFLSA-N 2 0 275.440 2.276 10 0 CEAERP Cc1ccc(Cl)c(OC[C@H](CC[NH3+])[NH+](C)C)c1 ZINC000020401677 171182672 /nfs/dbraw/zinc/18/26/72/171182672.db2.gz KNGGWCRMQDBQCA-NSHDSACASA-N 2 0 256.777 2.306 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000036191633 172503018 /nfs/dbraw/zinc/50/30/18/172503018.db2.gz IXKQBDDMCIHULZ-OAHLLOKOSA-N 2 0 255.450 2.166 10 0 CEAERP CO[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040623401 174355376 /nfs/dbraw/zinc/35/53/76/174355376.db2.gz YZTYBCUSGQSHFW-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000040670509 174368452 /nfs/dbraw/zinc/36/84/52/174368452.db2.gz KYLTYOFZTGQNOM-VXTDNTOSSA-N 2 0 295.471 2.131 10 0 CEAERP COc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750269 174395266 /nfs/dbraw/zinc/39/52/66/174395266.db2.gz WEBYBGHYYBCBTG-AGUYFDCRSA-N 2 0 276.380 2.028 10 0 CEAERP COc1ccc([C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C)cc1 ZINC000042748516 174866526 /nfs/dbraw/zinc/86/65/26/174866526.db2.gz QBWBKUGQQTVVCZ-QGZVFWFLSA-N 2 0 293.455 2.215 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354134 175021735 /nfs/dbraw/zinc/02/17/35/175021735.db2.gz CGNHOZPHMHQCDI-CVEARBPZSA-N 2 0 290.455 2.276 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806220 175108659 /nfs/dbraw/zinc/10/86/59/175108659.db2.gz LWSAUPAVYSPACN-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1c(C)cc(C)cc1C ZINC000043810511 175109370 /nfs/dbraw/zinc/10/93/70/175109370.db2.gz AKEKXIBKKBMOAI-MRXNPFEDSA-N 2 0 275.440 2.120 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043896974 175119728 /nfs/dbraw/zinc/11/97/28/175119728.db2.gz VLKIPPZMEYDFIH-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043915639 175125301 /nfs/dbraw/zinc/12/53/01/175125301.db2.gz YOWFHWWYURSQNO-LBPRGKRZSA-N 2 0 266.385 2.054 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965576 175127367 /nfs/dbraw/zinc/12/73/67/175127367.db2.gz NHOBGWXYUHSXQU-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000043967510 175128286 /nfs/dbraw/zinc/12/82/86/175128286.db2.gz MJAAEBIZTLGYLQ-KRWDZBQOSA-N 2 0 273.424 2.036 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068478 175300160 /nfs/dbraw/zinc/30/01/60/175300160.db2.gz KOKAKPWKUJXCKL-UHFFFAOYSA-N 2 0 277.412 2.452 10 0 CEAERP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)CC(C)(C)C ZINC000045068619 175300545 /nfs/dbraw/zinc/30/05/45/175300545.db2.gz HKJFRMVZOQQOMN-GFCCVEGCSA-N 2 0 277.412 2.450 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045113979 175311241 /nfs/dbraw/zinc/31/12/41/175311241.db2.gz CQHJEGSYLSVBRN-QWHCGFSZSA-N 2 0 292.427 2.429 10 0 CEAERP CCCC[N@H+](CC)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045370768 175364111 /nfs/dbraw/zinc/36/41/11/175364111.db2.gz CAFOQOVHUKBATP-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)CCC)C(N)=O ZINC000045386941 175372661 /nfs/dbraw/zinc/37/26/61/175372661.db2.gz DJJWBEXFGPGBGD-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC2CCC2)O1 ZINC000061485860 175648249 /nfs/dbraw/zinc/64/82/49/175648249.db2.gz CMRFLTRMDSVAQY-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000071124982 176035460 /nfs/dbraw/zinc/03/54/60/176035460.db2.gz MEXUIRHKVXDQSD-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]1CCC[C@@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147715 176044210 /nfs/dbraw/zinc/04/42/10/176044210.db2.gz UZNVZRSTSUXLAJ-LSDHHAIUSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000071161498 176046836 /nfs/dbraw/zinc/04/68/36/176046836.db2.gz WYFOXAUXTCZQLV-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP COc1ccc(C[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000071169803 176050321 /nfs/dbraw/zinc/05/03/21/176050321.db2.gz WPLPGKSXBRDSIR-ZDUSSCGKSA-N 2 0 262.397 2.297 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071188079 176061224 /nfs/dbraw/zinc/06/12/24/176061224.db2.gz WIHSVILRDFNKRT-DOMZBBRYSA-N 2 0 281.831 2.223 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188086 176061240 /nfs/dbraw/zinc/06/12/40/176061240.db2.gz OHVYRORCZCWICR-XOKHGSTOSA-N 2 0 293.430 2.488 10 0 CEAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188214 176062471 /nfs/dbraw/zinc/06/24/71/176062471.db2.gz RXQVDDFLLNQEQT-LVQVYYBASA-N 2 0 267.461 2.024 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188405 176062826 /nfs/dbraw/zinc/06/28/26/176062826.db2.gz QMWMPRLWQGNLAY-BFYDXBDKSA-N 2 0 275.440 2.001 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188340 176063211 /nfs/dbraw/zinc/06/32/11/176063211.db2.gz PWCSKODXNGKDOX-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189184 176064375 /nfs/dbraw/zinc/06/43/75/176064375.db2.gz RYQYBDAULNYYKF-ZFWWWQNUSA-N 2 0 291.464 2.287 10 0 CEAERP C[NH2+]Cc1c(Cl)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190003 176065613 /nfs/dbraw/zinc/06/56/13/176065613.db2.gz ZHNBSDQNDRWCFP-GFCCVEGCSA-N 2 0 281.831 2.447 10 0 CEAERP CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190577 176066861 /nfs/dbraw/zinc/06/68/61/176066861.db2.gz DRGJHKJCSCSYOW-KLHDSHLOSA-N 2 0 268.445 2.056 10 0 CEAERP C[NH2+]C[C@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191460 176069192 /nfs/dbraw/zinc/06/91/92/176069192.db2.gz XZDMPOQPDXJKGX-SJLPKXTDSA-N 2 0 289.467 2.047 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)ccn1 ZINC000071191638 176069844 /nfs/dbraw/zinc/06/98/44/176069844.db2.gz GQWVWZWMWROVTN-OAHLLOKOSA-N 2 0 290.455 2.215 10 0 CEAERP CC[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191435 176070007 /nfs/dbraw/zinc/07/00/07/176070007.db2.gz GQRFNYHQCBKOBZ-HNNXBMFYSA-N 2 0 267.461 2.040 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191394 176070236 /nfs/dbraw/zinc/07/02/36/176070236.db2.gz JBMZUBNTWXKQOX-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191362 176070586 /nfs/dbraw/zinc/07/05/86/176070586.db2.gz ZRXMFHJMTMGNJE-CABCVRRESA-N 2 0 269.477 2.284 10 0 CEAERP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC000071191259 176070768 /nfs/dbraw/zinc/07/07/68/176070768.db2.gz GYFPWZQSIHDBCX-RHSMWYFYSA-N 2 0 293.430 2.360 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191959 176071015 /nfs/dbraw/zinc/07/10/15/176071015.db2.gz DHJLRSDVSFHLRK-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191727 176071331 /nfs/dbraw/zinc/07/13/31/176071331.db2.gz GUVPYZMYAUSWCC-INIZCTEOSA-N 2 0 290.455 2.215 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N(C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000071191784 176071611 /nfs/dbraw/zinc/07/16/11/176071611.db2.gz GXCUYDRDGCKOGX-OAHLLOKOSA-N 2 0 290.455 2.215 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000071191723 176071822 /nfs/dbraw/zinc/07/18/22/176071822.db2.gz KXKUGVWRVMQNPF-HNNXBMFYSA-N 2 0 290.455 2.358 10 0 CEAERP CC[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198126 176076580 /nfs/dbraw/zinc/07/65/80/176076580.db2.gz MXMNJKFZEPOKGB-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201500 176078042 /nfs/dbraw/zinc/07/80/42/176078042.db2.gz TZPUNVNPGLJLAA-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP C[N@H+](Cc1ccncc1)Cc1ccc(F)cc1C[NH3+] ZINC000071250417 176094746 /nfs/dbraw/zinc/09/47/46/176094746.db2.gz AZLZHYLNDMLTIY-UHFFFAOYSA-N 2 0 259.328 2.311 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263697 176097014 /nfs/dbraw/zinc/09/70/14/176097014.db2.gz UKPRCXXSCCTPCP-MRXNPFEDSA-N 2 0 279.403 2.201 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000071290003 176110318 /nfs/dbraw/zinc/11/03/18/176110318.db2.gz JRDGVANWWPLEPD-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000071293563 176111582 /nfs/dbraw/zinc/11/15/82/176111582.db2.gz LPSDOZZVHBQPKM-AWEZNQCLSA-N 2 0 270.417 2.041 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000071293931 176111866 /nfs/dbraw/zinc/11/18/66/176111866.db2.gz DDQQOMYWMWJASS-CQSZACIVSA-N 2 0 270.417 2.041 10 0 CEAERP CC(C)N1CC[NH+](CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401719 176154020 /nfs/dbraw/zinc/15/40/20/176154020.db2.gz SPBPQOHEWJMHPV-KRWDZBQOSA-N 2 0 275.440 2.493 10 0 CEAERP COCCC[N@H+](CCC[C@H]([NH3+])c1ccccc1)CCOC ZINC000071401903 176154028 /nfs/dbraw/zinc/15/40/28/176154028.db2.gz POQQFQHOZNVJJT-KRWDZBQOSA-N 2 0 294.439 2.452 10 0 CEAERP CN(C[C@@H](CC[NH3+])[NH+]1CCCCC1)c1ccccc1 ZINC000076673557 177054995 /nfs/dbraw/zinc/05/49/95/177054995.db2.gz VYUPXUSUQLVBKM-MRXNPFEDSA-N 2 0 261.413 2.326 10 0 CEAERP COc1ccc(CC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670279 270314787 /nfs/dbraw/zinc/31/47/87/270314787.db2.gz VTVVWKAUFIKHSV-HNNXBMFYSA-N 2 0 262.397 2.312 10 0 CEAERP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609535 262226810 /nfs/dbraw/zinc/22/68/10/262226810.db2.gz ZDWWJVAYJFOJAR-DOTOQJQBSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390619009 262229011 /nfs/dbraw/zinc/22/90/11/262229011.db2.gz YZAXPUDZWAVTHJ-HZTRTUMWSA-N 2 0 273.424 2.119 10 0 CEAERP CC(C)[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000224589393 270309369 /nfs/dbraw/zinc/30/93/69/270309369.db2.gz DZIVAAXZCUBPFK-MJBXVCDLSA-N 2 0 254.418 2.120 10 0 CEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557575 278242167 /nfs/dbraw/zinc/24/21/67/278242167.db2.gz XMCRTDJXMPLETH-RDJZCZTQSA-N 2 0 275.440 2.239 10 0 CEAERP CCC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000245506577 280245554 /nfs/dbraw/zinc/24/55/54/280245554.db2.gz HKTKXAQOZPEDQP-CAOSSQGBSA-N 2 0 297.487 2.199 10 0 CEAERP C[C@H]1CCC[C@](C[NH2+]C2CCC([NH3+])CC2)(N(C)C)C1 ZINC000094088117 299909707 /nfs/dbraw/zinc/90/97/07/299909707.db2.gz QFLDVRIBIRKTGT-LBDPXKHJSA-N 2 0 267.461 2.356 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2CNCC[C@H]2c2ccc(F)cc2)CC1 ZINC000333160190 295212575 /nfs/dbraw/zinc/21/25/75/295212575.db2.gz NTJZXOIRUCCUOV-SJJHQCBESA-N 2 0 291.414 2.131 10 0 CEAERP [NH3+]C[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000536950286 330382229 /nfs/dbraw/zinc/38/22/29/330382229.db2.gz OOQGIYTXQIUYTP-HNNXBMFYSA-N 2 0 260.381 2.159 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055138103 519334482 /nfs/dbraw/zinc/33/44/82/519334482.db2.gz JGCFGCDBGMIDGQ-UYSNPLJNSA-N 2 0 297.487 2.377 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903723 519728714 /nfs/dbraw/zinc/72/87/14/519728714.db2.gz LTDYCPHLKHUMOU-UHFFFAOYSA-N 2 0 282.457 2.172 10 0 CEAERP CCC[NH+]1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554494 519859992 /nfs/dbraw/zinc/85/99/92/519859992.db2.gz HQELBNPWCPPEEM-PMPSAXMXSA-N 2 0 267.461 2.166 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CCC[C@H]1C[NH+](C)C ZINC000061653535 519908640 /nfs/dbraw/zinc/90/86/40/519908640.db2.gz HRWOQXPFJMIHOP-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071846 519958059 /nfs/dbraw/zinc/95/80/59/519958059.db2.gz UDIMTZGCNNTCLY-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H](C)COC ZINC000052511440 519959060 /nfs/dbraw/zinc/95/90/60/519959060.db2.gz PDALUTCOJKULGD-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372285 520319603 /nfs/dbraw/zinc/31/96/03/520319603.db2.gz WCWACBDCUZLNCA-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[C@H]([NH+](C)C)C1 ZINC000062964978 521157544 /nfs/dbraw/zinc/15/75/44/521157544.db2.gz WWLSCCNSQQIQHE-KKUMJFAQSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052543990 521564977 /nfs/dbraw/zinc/56/49/77/521564977.db2.gz SPJGKTJQXQCBNS-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000055000546 521567031 /nfs/dbraw/zinc/56/70/31/521567031.db2.gz VHVOMQNDUPTOLJ-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@H](C)C[NH2+]C(C)(C)C ZINC000052544154 521656347 /nfs/dbraw/zinc/65/63/47/521656347.db2.gz JXDCITPUHIERAC-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055063871 522129198 /nfs/dbraw/zinc/12/91/98/522129198.db2.gz YFMAHRMSCHNOMP-ZBFHGGJFSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH2+]Cc1sc(N2CC[NH+](C(C)(C)C)CC2)nc1C ZINC000055001488 522167599 /nfs/dbraw/zinc/16/75/99/522167599.db2.gz VYVUOXXQLZFNPE-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP C(CN1CC[C@@H]([NH+]2CCCCC2)C1)[NH2+]C(C1CC1)C1CC1 ZINC000062974677 518391310 /nfs/dbraw/zinc/39/13/10/518391310.db2.gz UZFYDUHEJDNUEJ-QGZVFWFLSA-N 2 0 291.483 2.325 10 0 CEAERP C([NH2+]C1CC1)[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382059 518397880 /nfs/dbraw/zinc/39/78/80/518397880.db2.gz QVRPZSMXWMJJKP-HUUCEWRRSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)C[C@H](C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000061840075 518686824 /nfs/dbraw/zinc/68/68/24/518686824.db2.gz VUYJRCLQVQGWHZ-OAHLLOKOSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481896 518762287 /nfs/dbraw/zinc/76/22/87/518762287.db2.gz URBUUPSRHAZLFI-KGLIPLIRSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[NH+]1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788825 519683349 /nfs/dbraw/zinc/68/33/49/519683349.db2.gz IQAULBXYMMPYGO-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654652 519720581 /nfs/dbraw/zinc/72/05/81/519720581.db2.gz SQWZJXTUBVBHPN-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]CC[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571717 519722241 /nfs/dbraw/zinc/72/22/41/519722241.db2.gz STRRQILLBMXYPY-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]C[C@@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571602 519722728 /nfs/dbraw/zinc/72/27/28/519722728.db2.gz ZHFWYZIKXUIZHE-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382050 519724035 /nfs/dbraw/zinc/72/40/35/519724035.db2.gz CQTXKDXMSPDKSO-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2)O1 ZINC000052545681 519725253 /nfs/dbraw/zinc/72/52/53/519725253.db2.gz BGTOKZUTVRYKMU-CABCVRRESA-N 2 0 266.385 2.257 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000055076031 519726007 /nfs/dbraw/zinc/72/60/07/519726007.db2.gz FFSOTZTZRIINCK-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])c2cccc(F)c2)CC1 ZINC000055082188 519726055 /nfs/dbraw/zinc/72/60/55/519726055.db2.gz IRYMQADAIYTJPM-QGZVFWFLSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083645 519726664 /nfs/dbraw/zinc/72/66/64/519726664.db2.gz WPJAKXCXBGFKGE-GOSISDBHSA-N 2 0 287.451 2.147 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055078265 519727486 /nfs/dbraw/zinc/72/74/86/519727486.db2.gz KVTYBBMMKSGGRG-INIZCTEOSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055078209 519727685 /nfs/dbraw/zinc/72/76/85/519727685.db2.gz ODWRDYKPPNXTIQ-INIZCTEOSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654201 519727962 /nfs/dbraw/zinc/72/79/62/519727962.db2.gz HJQBPMVFKJWWMH-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055083056 519745658 /nfs/dbraw/zinc/74/56/58/519745658.db2.gz RMXQLIFDPXXIGF-INIZCTEOSA-N 2 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421310 519746554 /nfs/dbraw/zinc/74/65/54/519746554.db2.gz OIMUDGPLAMSNQI-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)C[NH2+]Cc1coc(COCC[NH+](C)C)c1 ZINC000052669766 519748352 /nfs/dbraw/zinc/74/83/52/519748352.db2.gz UEUXKVPVBHHHIK-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573435 519815768 /nfs/dbraw/zinc/81/57/68/519815768.db2.gz HQDOZCOUXOAZDP-KRWDZBQOSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@@]2(CCC)CCC[NH2+]C2)CC1 ZINC000062859232 519846232 /nfs/dbraw/zinc/84/62/32/519846232.db2.gz OKNGBJPJTVFDHB-KRWDZBQOSA-N 2 0 295.471 2.147 10 0 CEAERP CCC[NH2+]CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573025 519912438 /nfs/dbraw/zinc/91/24/38/519912438.db2.gz YORLDGWLJJCSEC-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N(CCC)CC[NH+](C)C ZINC000052544099 519928833 /nfs/dbraw/zinc/92/88/33/519928833.db2.gz HRJVWLRABVHCGB-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055083002 519931755 /nfs/dbraw/zinc/93/17/55/519931755.db2.gz IDUZXMLBBIUXQI-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377144 519936009 /nfs/dbraw/zinc/93/60/09/519936009.db2.gz FIRVDXHKQFCDDG-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456347 519952913 /nfs/dbraw/zinc/95/29/13/519952913.db2.gz BVKVGVLMPYIJGR-QWHCGFSZSA-N 2 0 268.426 2.337 10 0 CEAERP CC[NH2+]C[C@H](CC)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416940 519971821 /nfs/dbraw/zinc/97/18/21/519971821.db2.gz SJTDUCPXZDOSSI-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC(C)C)C2CC2)O1 ZINC000052515891 519977666 /nfs/dbraw/zinc/97/76/66/519977666.db2.gz NABXDVQJHHTHOJ-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079375 519993397 /nfs/dbraw/zinc/99/33/97/519993397.db2.gz UPPURYPUDNTFNC-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H]2CN(C)C)c1 ZINC000061654445 520004432 /nfs/dbraw/zinc/00/44/32/520004432.db2.gz GJUSASRDXZQDQM-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000052371286 520004542 /nfs/dbraw/zinc/00/45/42/520004542.db2.gz IRSLPERSNVXMPH-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000069075044 520008500 /nfs/dbraw/zinc/00/85/00/520008500.db2.gz HMUYKDAMXMXZNQ-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+]Cc1coc(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000052571657 520018826 /nfs/dbraw/zinc/01/88/26/520018826.db2.gz IUDYRAAAOGGKLU-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]Cc1sc(N(C)C2CC[NH+](C)CC2)nc1CC ZINC000054994904 520033298 /nfs/dbraw/zinc/03/32/98/520033298.db2.gz CHWLPKGXGKIHNC-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1C1CC1 ZINC000069182582 520035267 /nfs/dbraw/zinc/03/52/67/520035267.db2.gz XZHXDCBXWUODIO-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079154 520116566 /nfs/dbraw/zinc/11/65/66/520116566.db2.gz QKGLPAWZFDHCMJ-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964936 520116851 /nfs/dbraw/zinc/11/68/51/520116851.db2.gz NQFXFZPJHJZDKG-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](CC)CCOC ZINC000053875776 520122717 /nfs/dbraw/zinc/12/27/17/520122717.db2.gz NYWYIRNQQYNPBQ-RBSFLKMASA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061643712 520196835 /nfs/dbraw/zinc/19/68/35/520196835.db2.gz DCOSUQCVHCZIHX-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CCNc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccn1 ZINC000052725821 520273070 /nfs/dbraw/zinc/27/30/70/520273070.db2.gz LZCQFKLSWUWKIA-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CCCOc1ccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000052919930 520427361 /nfs/dbraw/zinc/42/73/61/520427361.db2.gz CDGFPXSQRAUPSI-KRWDZBQOSA-N 2 0 291.439 2.113 10 0 CEAERP CCC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000164273749 520576878 /nfs/dbraw/zinc/57/68/78/520576878.db2.gz YGQGLQBLUZNINL-INIZCTEOSA-N 2 0 295.471 2.051 10 0 CEAERP CC[NH+](CC)CCc1ncc(C[NH2+]CC(C)C)cn1 ZINC000054856641 520714448 /nfs/dbraw/zinc/71/44/48/520714448.db2.gz LAYHYGFUJYBVHK-UHFFFAOYSA-N 2 0 264.417 2.107 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H](C)C[NH2+]C(C)C)C1 ZINC000062972381 520847234 /nfs/dbraw/zinc/84/72/34/520847234.db2.gz IAMLKNFSXJNDMM-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237263 520966286 /nfs/dbraw/zinc/96/62/86/520966286.db2.gz GHJUCKCZJSINPD-GFCCVEGCSA-N 2 0 275.396 2.204 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000069380181 521120225 /nfs/dbraw/zinc/12/02/25/521120225.db2.gz FKJKILMCGGXLKO-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@H+](CCOC)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052542744 521136110 /nfs/dbraw/zinc/13/61/10/521136110.db2.gz QCISLONSJOJZGP-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055071683 521266198 /nfs/dbraw/zinc/26/61/98/521266198.db2.gz ZOXSYGJNKHPVGL-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C(C)(C)C)no1)[C@@H](C)COC ZINC000052504851 521290824 /nfs/dbraw/zinc/29/08/24/521290824.db2.gz WQFDDCYSBXHTBQ-LBPRGKRZSA-N 2 0 283.416 2.420 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401706 521299227 /nfs/dbraw/zinc/29/92/27/521299227.db2.gz HNHSDAUXKXXDEH-ZDUSSCGKSA-N 2 0 294.370 2.060 10 0 CEAERP CCC(C)(C)[N@H+](C)C[C@@H](O)c1ccc(C[NH3+])cc1 ZINC000069429398 521304408 /nfs/dbraw/zinc/30/44/08/521304408.db2.gz HPOFEYQOGZFDPB-CQSZACIVSA-N 2 0 250.386 2.299 10 0 CEAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655137 521352174 /nfs/dbraw/zinc/35/21/74/521352174.db2.gz BDMSAPWBHKXCBK-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+]1CCC(C[NH2+]Cc2cc(C)n(C)c2C)CC1 ZINC000052790505 521551776 /nfs/dbraw/zinc/55/17/76/521551776.db2.gz XUZZEQYXHGYWCW-UHFFFAOYSA-N 2 0 263.429 2.463 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266622 521567144 /nfs/dbraw/zinc/56/71/44/521567144.db2.gz LBYIHHALNOHUSI-KRWDZBQOSA-N 2 0 273.424 2.247 10 0 CEAERP CCC(CC)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075912 521596584 /nfs/dbraw/zinc/59/65/84/521596584.db2.gz QDPSDTIFAOTBNW-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCOC1CC[NH+](Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052484070 521656712 /nfs/dbraw/zinc/65/67/12/521656712.db2.gz VNXZOIXUVXBVKT-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856797 521843942 /nfs/dbraw/zinc/84/39/42/521843942.db2.gz IFSSLAGVBBLOFL-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)[C@@H]1CCN(Cc2cc(C[NH2+]C(C)(C)C)co2)C1 ZINC000062971794 522051708 /nfs/dbraw/zinc/05/17/08/522051708.db2.gz ARNKQMRMJROSFR-CQSZACIVSA-N 2 0 279.428 2.304 10 0 CEAERP C[NH2+]C[C@H](c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000052515479 522077545 /nfs/dbraw/zinc/07/75/45/522077545.db2.gz WMHDJUQAMOWESY-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571710 522077826 /nfs/dbraw/zinc/07/78/26/522077826.db2.gz VABFIZHUMKVIDC-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000055074711 522122594 /nfs/dbraw/zinc/12/25/94/522122594.db2.gz LYRJHTHJKQVICC-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072569 522123995 /nfs/dbraw/zinc/12/39/95/522123995.db2.gz BLIDCSDEMZZBOK-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000055063841 522129971 /nfs/dbraw/zinc/12/99/71/522129971.db2.gz WPEGHSZIVUIXQY-OLZOCXBDSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063619 522132455 /nfs/dbraw/zinc/13/24/55/522132455.db2.gz NFOHRFPTDDPPQZ-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)CCc1ccncc1 ZINC000052483160 522133277 /nfs/dbraw/zinc/13/32/77/522133277.db2.gz OFSJJORACCKFGL-UHFFFAOYSA-N 2 0 269.392 2.476 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064714 522134643 /nfs/dbraw/zinc/13/46/43/522134643.db2.gz ICIDFFMUSHGZDW-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+]Cc1occc1C[N@H+](CCOC)[C@H](C)C1CC1 ZINC000052545358 522165049 /nfs/dbraw/zinc/16/50/49/522165049.db2.gz AFXIOWTXPAGODW-GFCCVEGCSA-N 2 0 266.385 2.246 10 0 CEAERP CCc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1C[NH3+] ZINC000055001485 522385002 /nfs/dbraw/zinc/38/50/02/522385002.db2.gz UOGBLIJIYKBNMD-UHFFFAOYSA-N 2 0 282.457 2.085 10 0 CEAERP CCc1nc(N2CC[NH+]([C@@H](C)CC)CC2)sc1C[NH3+] ZINC000055076534 522386621 /nfs/dbraw/zinc/38/66/21/522386621.db2.gz UAOSBEPOCCAZIX-NSHDSACASA-N 2 0 282.457 2.085 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479995 522543312 /nfs/dbraw/zinc/54/33/12/522543312.db2.gz TWSXSEXKMUPJGD-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964096 522648618 /nfs/dbraw/zinc/64/86/18/522648618.db2.gz LGBVLWOYMAEMDJ-USXIJHARSA-N 2 0 291.439 2.110 10 0 CEAERP COC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455441 522704951 /nfs/dbraw/zinc/70/49/51/522704951.db2.gz FLOMHAIRHWRYTA-GJZGRUSLSA-N 2 0 284.444 2.033 10 0 CEAERP C[N@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182990 523054312 /nfs/dbraw/zinc/05/43/12/523054312.db2.gz MGCOKQLORMARKT-HNNXBMFYSA-N 2 0 298.471 2.282 10 0 CEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052479530 523416756 /nfs/dbraw/zinc/41/67/56/523416756.db2.gz QFFBDMLCVYFDKU-JKSUJKDBSA-N 2 0 291.439 2.449 10 0 CEAERP CC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000062858016 523539595 /nfs/dbraw/zinc/53/95/95/523539595.db2.gz JWROTNWEUNZUNI-WBVHZDCISA-N 2 0 295.471 2.004 10 0 CEAERP COCC[N@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052572962 523624549 /nfs/dbraw/zinc/62/45/49/523624549.db2.gz MAEJWNWRRXHQMK-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860381 523821925 /nfs/dbraw/zinc/82/19/25/523821925.db2.gz WHPPSDJKYLQBGZ-LLVKDONJSA-N 2 0 281.787 2.487 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074103 523957947 /nfs/dbraw/zinc/95/79/47/523957947.db2.gz BBPDBUGQIPAWFJ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064085 523958315 /nfs/dbraw/zinc/95/83/15/523958315.db2.gz LBBVFGQRRLFVOF-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055063851 523958323 /nfs/dbraw/zinc/95/83/23/523958323.db2.gz VHWSECPMCIHFFL-GZBFAFLISA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065225 523958343 /nfs/dbraw/zinc/95/83/43/523958343.db2.gz FJXZYARLLQWEOD-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065310 523959706 /nfs/dbraw/zinc/95/97/06/523959706.db2.gz FMTIIXVSXBTDMH-WBAXXEDZSA-N 2 0 287.451 2.417 10 0 CEAERP C[NH+](C)CCC[NH2+]CCn1ccc2ccc(F)cc21 ZINC000053528219 524056749 /nfs/dbraw/zinc/05/67/49/524056749.db2.gz WFPXZHLXHVXGIM-UHFFFAOYSA-N 2 0 263.360 2.322 10 0 CEAERP Cc1ccc(C)c([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061643541 524210104 /nfs/dbraw/zinc/21/01/04/524210104.db2.gz XOPKLMAOMQJWOC-NVXWUHKLSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543563 524459484 /nfs/dbraw/zinc/45/94/84/524459484.db2.gz GLUNWXYDRKVCLP-QWHCGFSZSA-N 2 0 254.418 2.406 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655255 524576337 /nfs/dbraw/zinc/57/63/37/524576337.db2.gz BBDYHYBQPWCUOA-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642145 524744685 /nfs/dbraw/zinc/74/46/85/524744685.db2.gz JSRRIMQRBUZUFZ-CKEIUWERSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641937 524833993 /nfs/dbraw/zinc/83/39/93/524833993.db2.gz XHMNZPUYGUHXMA-HZPDHXFCSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562075 524868218 /nfs/dbraw/zinc/86/82/18/524868218.db2.gz BXAFIOGCJXEUQG-RYUDHWBXSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641938 524880422 /nfs/dbraw/zinc/88/04/22/524880422.db2.gz XHMNZPUYGUHXMA-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1C ZINC000050596440 525180741 /nfs/dbraw/zinc/18/07/41/525180741.db2.gz VCNWOILEYUEYRR-MRXNPFEDSA-N 2 0 291.439 2.029 10 0 CEAERP Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157433316 525498343 /nfs/dbraw/zinc/49/83/43/525498343.db2.gz XGSRJXVTLJCPBE-HOTGVXAUSA-N 2 0 270.380 2.385 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077053 525786077 /nfs/dbraw/zinc/78/60/77/525786077.db2.gz CHMFKXCVMBFUOS-GDBMZVCRSA-N 2 0 279.428 2.250 10 0 CEAERP Cc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH2+]C(C)C ZINC000061655592 526966170 /nfs/dbraw/zinc/96/61/70/526966170.db2.gz PLTJVIVBYDVXBZ-ZDUSSCGKSA-N 2 0 296.484 2.480 10 0 CEAERP Cc1[nH+]c2cc(N)ccc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000052842681 527123234 /nfs/dbraw/zinc/12/32/34/527123234.db2.gz NASHXHRPWBZPBV-HNNXBMFYSA-N 2 0 256.353 2.194 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052181994 527163518 /nfs/dbraw/zinc/16/35/18/527163518.db2.gz SUPRGKGBTDMYJF-LSDHHAIUSA-N 2 0 266.429 2.254 10 0 CEAERP [NH3+]CC[C@@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055017142 527190170 /nfs/dbraw/zinc/19/01/70/527190170.db2.gz ZOZYLIRFJRTZGL-INIZCTEOSA-N 2 0 262.397 2.313 10 0 CEAERP [NH3+]C[C@H]1CCCCC[C@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514171 527230465 /nfs/dbraw/zinc/23/04/65/527230465.db2.gz KNDDSWOBPQUEHE-IAGOWNOFSA-N 2 0 276.424 2.389 10 0 CEAERP O[C@@]12CCCC[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161612594 527682401 /nfs/dbraw/zinc/68/24/01/527682401.db2.gz DIGTZKNKIZILCP-IAGOWNOFSA-N 2 0 280.456 2.489 10 0 CEAERP COc1cccc(N2CC[NH+](C[C@@H](C[NH3+])C(C)C)CC2)c1 ZINC000087535308 537123099 /nfs/dbraw/zinc/12/30/99/537123099.db2.gz WMIQVFFKWWRVLO-OAHLLOKOSA-N 2 0 291.439 2.048 10 0 CEAERP C1CC1[NH+]1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757138108 574510116 /nfs/dbraw/zinc/51/01/16/574510116.db2.gz ASHIXBZKTMVZQD-OCCSQVGLSA-N 2 0 250.386 2.120 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@@H]12 ZINC000261606185 623394588 /nfs/dbraw/zinc/39/45/88/623394588.db2.gz RMCHZKLPJIECOG-KCPJHIHWSA-N 2 0 280.799 2.388 10 0 CEAERP Brc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)s1 ZINC000070600451 641686418 /nfs/dbraw/zinc/68/64/18/641686418.db2.gz PQOQRPOJRWMHPI-MRVPVSSYSA-N 2 0 275.215 2.210 10 0 CEAERP COc1ccc(CC[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729013 178245973 /nfs/dbraw/zinc/24/59/73/178245973.db2.gz SLLCPWRBUJZBEK-NVXWUHKLSA-N 2 0 274.408 2.312 10 0 CEAERP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000036961235 361875084 /nfs/dbraw/zinc/87/50/84/361875084.db2.gz XJXYXKVMIPWOFT-BBRMVZONSA-N 2 0 275.396 2.208 10 0 CEAERP C[C@H](Cn1cncc1[C@H]1CCC[C@@H](C)[NH2+]1)[NH+](C)C ZINC000097020148 185152703 /nfs/dbraw/zinc/15/27/03/185152703.db2.gz DZANVTWYEGUILW-JHJVBQTASA-N 2 0 250.390 2.036 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)C[C@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000251791448 344638003 /nfs/dbraw/zinc/63/80/03/344638003.db2.gz LOXFKBYEMKVHND-BFYDXBDKSA-N 2 0 295.471 2.003 10 0 CEAERP COc1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000311659152 344735364 /nfs/dbraw/zinc/73/53/64/344735364.db2.gz NOPHYFBESMBDDB-PSOPSSQASA-N 2 0 264.344 2.003 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH2+]C)c1 ZINC000054074274 362509022 /nfs/dbraw/zinc/50/90/22/362509022.db2.gz LLQFVJRODLPTOH-GFCCVEGCSA-N 2 0 263.385 2.075 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052511505 522594722 /nfs/dbraw/zinc/59/47/22/522594722.db2.gz LSLADJJSEWSHSW-LBPRGKRZSA-N 2 0 254.374 2.244 10 0 CEAERP CCC[NH2+][C@H](C)C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000084392173 178880166 /nfs/dbraw/zinc/88/01/66/178880166.db2.gz JDEBNFTVTJRQHW-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1(C)C ZINC000085400650 179051740 /nfs/dbraw/zinc/05/17/40/179051740.db2.gz JONBWYBHFHGVQB-RRFJBIMHSA-N 2 0 268.445 2.367 10 0 CEAERP CC(C)NC(=O)CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403559 179053069 /nfs/dbraw/zinc/05/30/69/179053069.db2.gz PHIUYMMMCPLZOJ-INIZCTEOSA-N 2 0 295.471 2.145 10 0 CEAERP CCc1nc2c(n1CC[NH+](C(C)C)C(C)C)CC[NH2+]C2 ZINC000085568354 179095334 /nfs/dbraw/zinc/09/53/34/179095334.db2.gz IGJRCQIPVGTTFR-UHFFFAOYSA-N 2 0 278.444 2.210 10 0 CEAERP CC(C)Cc1nc2c(n1CC(C)(C)[NH+](C)C)CC[NH2+]C2 ZINC000085574083 179099113 /nfs/dbraw/zinc/09/91/13/179099113.db2.gz ATUFIXHDIUPUAE-UHFFFAOYSA-N 2 0 278.444 2.068 10 0 CEAERP c1csc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)c1 ZINC000085616060 179104221 /nfs/dbraw/zinc/10/42/21/179104221.db2.gz HZSWGOTVNUTHDO-CQSZACIVSA-N 2 0 250.411 2.365 10 0 CEAERP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623667 179106090 /nfs/dbraw/zinc/10/60/90/179106090.db2.gz YCYSHJBBKDOSIJ-SNPRPXQTSA-N 2 0 252.402 2.018 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085669957 179111441 /nfs/dbraw/zinc/11/14/41/179111441.db2.gz CDPVBYBVEPWWAY-IHRRRGAJSA-N 2 0 268.445 2.367 10 0 CEAERP C[C@H](CCCC[NH3+])[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000336816295 365859142 /nfs/dbraw/zinc/85/91/42/365859142.db2.gz LKVBDYCLLBOQPL-GDBMZVCRSA-N 2 0 263.429 2.396 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000085962702 179204924 /nfs/dbraw/zinc/20/49/24/179204924.db2.gz FRTVUAHLAMETLV-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCNC3(CCCCC3)C2)CC1 ZINC000086145701 179238580 /nfs/dbraw/zinc/23/85/80/179238580.db2.gz RGBKMPLYTLMOJE-UHFFFAOYSA-N 2 0 279.472 2.326 10 0 CEAERP CC[NH+]1CCC(CN2CC[NH2+][C@@H](CC(C)C)C2)CC1 ZINC000086145732 179238749 /nfs/dbraw/zinc/23/87/49/179238749.db2.gz FRROJDXNMQDCDJ-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182631 179247935 /nfs/dbraw/zinc/24/79/35/179247935.db2.gz ABONIMBPNWFISB-DLBZAZTESA-N 2 0 291.483 2.467 10 0 CEAERP CCC[C@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086217778 179249466 /nfs/dbraw/zinc/24/94/66/179249466.db2.gz UBGPHTNEFDBFKR-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217747 179249743 /nfs/dbraw/zinc/24/97/43/179249743.db2.gz KDSDVBJJHMXMNZ-NVXWUHKLSA-N 2 0 275.440 2.147 10 0 CEAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217788 179249812 /nfs/dbraw/zinc/24/98/12/179249812.db2.gz UPWHDWVSAKXAKM-YOEHRIQHSA-N 2 0 273.424 2.116 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217798 179250017 /nfs/dbraw/zinc/25/00/17/179250017.db2.gz GHVJUFGLJZFRSG-SJORKVTESA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223042 179250675 /nfs/dbraw/zinc/25/06/75/179250675.db2.gz QULBKMIHSUVPOB-HZPDHXFCSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223981 179253096 /nfs/dbraw/zinc/25/30/96/179253096.db2.gz JRVHKGATEFNTHO-LSDHHAIUSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259614 179258289 /nfs/dbraw/zinc/25/82/89/179258289.db2.gz CBZOVDIZHNXXNF-GOEBONIOSA-N 2 0 277.456 2.220 10 0 CEAERP CCC[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259285 179258624 /nfs/dbraw/zinc/25/86/24/179258624.db2.gz ZJWHCWLBDFMSDY-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP COC[C@H](C)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086269641 179261728 /nfs/dbraw/zinc/26/17/28/179261728.db2.gz MWXSBNLVXHMONW-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H](C)[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086289413 179264045 /nfs/dbraw/zinc/26/40/45/179264045.db2.gz JZKGDSOYSJTQFV-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CCOCCC[N@@H+]1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086286246 179264100 /nfs/dbraw/zinc/26/41/00/179264100.db2.gz UJKFJTKMQRMBGA-KRWDZBQOSA-N 2 0 276.424 2.320 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288684 179264196 /nfs/dbraw/zinc/26/41/96/179264196.db2.gz WCTPDFWKYCZTGK-AEFFLSMTSA-N 2 0 287.451 2.365 10 0 CEAERP C[C@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258978 179257274 /nfs/dbraw/zinc/25/72/74/179257274.db2.gz JQOWBEIKTRDVAT-MAUKXSAKSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259342 179257654 /nfs/dbraw/zinc/25/76/54/179257654.db2.gz RZVUWVANHKMODE-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293267 179266257 /nfs/dbraw/zinc/26/62/57/179266257.db2.gz IXAVOSWYHIJNAA-LSDHHAIUSA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)[NH+](CCNC1=[NH+]C[C@H](C)CS1)C(C)C ZINC000086632237 179314912 /nfs/dbraw/zinc/31/49/12/179314912.db2.gz RXFLGBLJFFDGJT-LBPRGKRZSA-N 2 0 257.447 2.434 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](COC)C(C)C)CC1 ZINC000086696266 179320500 /nfs/dbraw/zinc/32/05/00/179320500.db2.gz GHVSVNGJBDYOKY-DZGCQCFKSA-N 2 0 256.434 2.367 10 0 CEAERP CCN(Cc1ccccc1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819262 179348721 /nfs/dbraw/zinc/34/87/21/179348721.db2.gz KBCHXSFDMDKMCX-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818579 179346391 /nfs/dbraw/zinc/34/63/91/179346391.db2.gz RPMMBQBEYBWYOU-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP C[N@@H+]1CCC[C@H](NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818786 179346984 /nfs/dbraw/zinc/34/69/84/179346984.db2.gz ZTJKYNLKZGXFJB-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2C[C@@H]2C)CC1 ZINC000086848829 179356082 /nfs/dbraw/zinc/35/60/82/179356082.db2.gz ILVJNDJJRUVZGZ-JYJNAYRXSA-N 2 0 267.461 2.168 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CCOC)CC(C)C)CC1 ZINC000086848017 179356550 /nfs/dbraw/zinc/35/65/50/179356550.db2.gz VBMSAQJZIKKCBZ-QGZVFWFLSA-N 2 0 299.503 2.184 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccc(F)cc2)CC1 ZINC000086847495 179356897 /nfs/dbraw/zinc/35/68/97/179356897.db2.gz GILHYDXWNULOHQ-KRWDZBQOSA-N 2 0 293.430 2.461 10 0 CEAERP CCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846858 179357211 /nfs/dbraw/zinc/35/72/11/179357211.db2.gz BAPOBILWFLGWLG-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839289 179351488 /nfs/dbraw/zinc/35/14/88/179351488.db2.gz RPAHUFVTSYKXKH-UKRRQHHQSA-N 2 0 276.428 2.262 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848910 179357678 /nfs/dbraw/zinc/35/76/78/179357678.db2.gz IKXOKGQUUZXQKV-JKSUJKDBSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840825 179352819 /nfs/dbraw/zinc/35/28/19/179352819.db2.gz SCVLERSBRAWUSL-HOTGVXAUSA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844088 179354561 /nfs/dbraw/zinc/35/45/61/179354561.db2.gz VPEHOOVFWMEGMS-SLTAFYQDSA-N 3 0 253.434 2.109 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NCC[NH+](C)C2CCCC2)CC1 ZINC000086844949 179354659 /nfs/dbraw/zinc/35/46/59/179354659.db2.gz JKSUOCHAPYJZQT-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851075 179359158 /nfs/dbraw/zinc/35/91/58/179359158.db2.gz JKAVJNHGKGSZKX-ZBFHGGJFSA-N 3 0 267.461 2.310 10 0 CEAERP COCC[N@H+](C1CC1)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891071 179366127 /nfs/dbraw/zinc/36/61/27/179366127.db2.gz JSEJGLDQLUYMCY-UKRRQHHQSA-N 2 0 254.418 2.395 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000086891406 179366146 /nfs/dbraw/zinc/36/61/46/179366146.db2.gz MTIRHAJOBWMQOS-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CC1(C)CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086912015 179367131 /nfs/dbraw/zinc/36/71/31/179367131.db2.gz IBLPOYNWRHVJBC-QGZVFWFLSA-N 2 0 279.472 2.454 10 0 CEAERP CC(C)[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086943911 179367988 /nfs/dbraw/zinc/36/79/88/179367988.db2.gz LYHOSJHTCWCAGT-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP COCC[N@H+](C)[C@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 ZINC000086948467 179368884 /nfs/dbraw/zinc/36/88/84/179368884.db2.gz SZRQJYUIYNYQNP-HUUCEWRRSA-N 2 0 256.434 2.498 10 0 CEAERP CC(C)[C@@H]1CCC[C@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086948970 179368945 /nfs/dbraw/zinc/36/89/45/179368945.db2.gz CMCSRRUWEWISIO-CVEARBPZSA-N 2 0 269.477 2.414 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCCCCC2)CC1 ZINC000087089127 179393434 /nfs/dbraw/zinc/39/34/34/179393434.db2.gz IQAPJIAUHDPRCS-CQSZACIVSA-N 2 0 254.418 2.146 10 0 CEAERP C[NH2+][C@@H](C)c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000104192239 185923423 /nfs/dbraw/zinc/92/34/23/185923423.db2.gz AWFODUIYCSSJFB-NSHDSACASA-N 2 0 253.365 2.104 10 0 CEAERP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH3+] ZINC000089144631 179721949 /nfs/dbraw/zinc/72/19/49/179721949.db2.gz BJWVCAHXCDMYOD-UONOGXRCSA-N 2 0 299.459 2.398 10 0 CEAERP CCC[C@@H](c1ccccc1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306547 179955108 /nfs/dbraw/zinc/95/51/08/179955108.db2.gz PRFTUBCDKGLNMV-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000090566253 180005598 /nfs/dbraw/zinc/00/55/98/180005598.db2.gz HQDCHPXOOOMKEK-ZFWWWQNUSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566819 180006952 /nfs/dbraw/zinc/00/69/52/180006952.db2.gz YJQKZSJBQXXRKX-KBPBESRZSA-N 2 0 254.418 2.123 10 0 CEAERP [NH3+]C1(Cc2cccc(OC(F)(F)F)c2)CC[NH2+]CC1 ZINC000090587472 180009085 /nfs/dbraw/zinc/00/90/85/180009085.db2.gz NOOCDTAFJMJFLZ-UHFFFAOYSA-N 2 0 274.286 2.209 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@@H]1Cc2ccccc2O1 ZINC000090874017 180050274 /nfs/dbraw/zinc/05/02/74/180050274.db2.gz UJITYALUOVVUGU-HNNXBMFYSA-N 2 0 262.397 2.297 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878934 180052684 /nfs/dbraw/zinc/05/26/84/180052684.db2.gz XFAGXBIRFXFDNF-LRDDRELGSA-N 2 0 292.398 2.449 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(OC)c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000090905998 180061101 /nfs/dbraw/zinc/06/11/01/180061101.db2.gz PQWIRCJGKMXTRG-VBNZEHGJSA-N 2 0 290.407 2.339 10 0 CEAERP C[C@@H]1CCC[N@H+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958666 180074869 /nfs/dbraw/zinc/07/48/69/180074869.db2.gz UXQABWCLJWKIGJ-LLVKDONJSA-N 2 0 253.415 2.266 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2csc([C@@H](C)[NH3+])n2)C1 ZINC000090958609 180074915 /nfs/dbraw/zinc/07/49/15/180074915.db2.gz JGKXAZFPMNPHGU-DGCLKSJQSA-N 2 0 282.457 2.079 10 0 CEAERP C[C@H]([NH3+])c1nc(CN2CC[NH+](C3CCCC3)CC2)cs1 ZINC000090958523 180074990 /nfs/dbraw/zinc/07/49/90/180074990.db2.gz PKWUVVJSDBVCES-LBPRGKRZSA-N 2 0 294.468 2.223 10 0 CEAERP CC[C@H](CC[NH3+])N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090975967 180078804 /nfs/dbraw/zinc/07/88/04/180078804.db2.gz UGLSHYSQJFXMSM-IAGOWNOFSA-N 2 0 287.451 2.071 10 0 CEAERP CC(C)[C@@H](CC[NH3+])CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091392176 180144754 /nfs/dbraw/zinc/14/47/54/180144754.db2.gz FBYQHNBWZUKDQN-CVEARBPZSA-N 2 0 269.477 2.414 10 0 CEAERP CCOc1ccc([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392011 180144820 /nfs/dbraw/zinc/14/48/20/180144820.db2.gz DKQCABSOFJNOQK-DOTOQJQBSA-N 2 0 291.439 2.111 10 0 CEAERP C[NH2+][C@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000091393110 180145693 /nfs/dbraw/zinc/14/56/93/180145693.db2.gz IEJMXUUGUWOUKE-DLBZAZTESA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000091404995 180147189 /nfs/dbraw/zinc/14/71/89/180147189.db2.gz MCPXLFWUJUTTCJ-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427413 180152287 /nfs/dbraw/zinc/15/22/87/180152287.db2.gz VVPGEYNFAIDJDE-KGLIPLIRSA-N 2 0 281.469 2.252 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091429730 180152655 /nfs/dbraw/zinc/15/26/55/180152655.db2.gz YGZQVWDAAZRSJX-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP C[NH2+][C@H](CC[C@@H]1CCCO1)C1([NH+](C)C)CCCC1 ZINC000091637656 180212577 /nfs/dbraw/zinc/21/25/77/180212577.db2.gz UVPMWZLEDWHDOQ-UONOGXRCSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000091715716 180232256 /nfs/dbraw/zinc/23/22/56/180232256.db2.gz YQWIGWMTZXIOOH-AWEZNQCLSA-N 2 0 250.386 2.297 10 0 CEAERP [NH3+][C@H](CCCc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720838 180236175 /nfs/dbraw/zinc/23/61/75/180236175.db2.gz XYZKPXCXPIHWAP-ZACQAIPSSA-N 2 0 274.408 2.200 10 0 CEAERP Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C(C)C ZINC000091723144 180241970 /nfs/dbraw/zinc/24/19/70/180241970.db2.gz CIOIMWAFKJCMCX-OLZOCXBDSA-N 2 0 295.452 2.485 10 0 CEAERP CC(C)[C@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844006 180268734 /nfs/dbraw/zinc/26/87/34/180268734.db2.gz LAYPZJAHGSFMDH-PFSRBDOWSA-N 2 0 254.418 2.392 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](CC)CC1 ZINC000091849981 180271938 /nfs/dbraw/zinc/27/19/38/180271938.db2.gz OYXKDHFWOKOTIM-PCKAHOCUSA-N 3 0 267.461 2.453 10 0 CEAERP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850897 180272133 /nfs/dbraw/zinc/27/21/33/180272133.db2.gz LACIUJMCMWWABU-HESLUPGFSA-N 2 0 283.460 2.272 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC2CCOCC2)CC1 ZINC000091870319 180277020 /nfs/dbraw/zinc/27/70/20/180277020.db2.gz NZDLEXGCJGRYIC-UHFFFAOYSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000091870975 180277192 /nfs/dbraw/zinc/27/71/92/180277192.db2.gz CTVGRVIMDIKRDE-UHFFFAOYSA-N 2 0 290.407 2.436 10 0 CEAERP CC(C)(C)C1CCC(C[NH3+])([C@]2(O)CCC[NH2+]C2)CC1 ZINC000091907837 180284173 /nfs/dbraw/zinc/28/41/73/180284173.db2.gz RPVNWQAXFAWVMY-BCLQGDPASA-N 2 0 268.445 2.282 10 0 CEAERP CC[N@@H+]1CCO[C@H](Cn2cc(C[NH2+]C)c3ccccc32)C1 ZINC000092060171 180315052 /nfs/dbraw/zinc/31/50/52/180315052.db2.gz NMFOVMPIGFJWJN-HNNXBMFYSA-N 2 0 287.407 2.081 10 0 CEAERP CC[N@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2S1 ZINC000092262288 180354534 /nfs/dbraw/zinc/35/45/34/180354534.db2.gz XBQWVWZAZISRTQ-LBPRGKRZSA-N 2 0 263.410 2.351 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COc2ccccc21 ZINC000092304415 180359513 /nfs/dbraw/zinc/35/95/13/180359513.db2.gz GCHCDPZVAVKUSS-RLAWYHOSSA-N 2 0 258.365 2.117 10 0 CEAERP C[NH2+]C[C@H](C)Cc1c(C)nn(-c2cc[nH+]cc2)c1C ZINC000092321751 180362437 /nfs/dbraw/zinc/36/24/37/180362437.db2.gz NNQULGXSMXRPCU-LLVKDONJSA-N 2 0 258.369 2.282 10 0 CEAERP CC(C)[C@H]1CSC(NCC(C)(C)C[NH+](C)C)=[NH+]1 ZINC000092402035 180377527 /nfs/dbraw/zinc/37/75/27/180377527.db2.gz NYEIOJHMCPVMHL-LLVKDONJSA-N 2 0 257.447 2.291 10 0 CEAERP CCC[NH+]1CCN(Cc2cc(NCC)cc[nH+]2)CC1 ZINC000092417921 180381465 /nfs/dbraw/zinc/38/14/65/180381465.db2.gz FSONSBGPTHSKEM-UHFFFAOYSA-N 2 0 262.401 2.041 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1C[NH3+] ZINC000092623864 180417331 /nfs/dbraw/zinc/41/73/31/180417331.db2.gz WQVSKVAQMLQFDG-INIZCTEOSA-N 2 0 279.403 2.201 10 0 CEAERP C[NH2+]Cc1cc(OCC[NH+]2CCCC2)c2ccccc2n1 ZINC000109590652 186264878 /nfs/dbraw/zinc/26/48/78/186264878.db2.gz SVQZCNGRHJHNKG-UHFFFAOYSA-N 2 0 285.391 2.429 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2C[C@@H](CC)CC[C@@H]2C[NH3+])CC1 ZINC000109603657 186266638 /nfs/dbraw/zinc/26/66/38/186266638.db2.gz QZIRGRBBJKETMW-NUEKZKHPSA-N 2 0 296.455 2.415 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C[NH3+] ZINC000109604172 186268099 /nfs/dbraw/zinc/26/80/99/186268099.db2.gz XLHQZHYGXRHRDL-OAHLLOKOSA-N 2 0 294.370 2.202 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1CC ZINC000110275379 186289667 /nfs/dbraw/zinc/28/96/67/186289667.db2.gz AVCTXTJDTMHXTP-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP [NH2+]=C(NC1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110368922 186294135 /nfs/dbraw/zinc/29/41/35/186294135.db2.gz NUKFNFIQVFWPMG-HNNXBMFYSA-N 2 0 278.444 2.404 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618002 186305093 /nfs/dbraw/zinc/30/50/93/186305093.db2.gz UMFMJBUJPFIATR-GPANFISMSA-N 2 0 297.487 2.234 10 0 CEAERP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000110926706 186333792 /nfs/dbraw/zinc/33/37/92/186333792.db2.gz NRCPGWDGZRRGSE-SFHVURJKSA-N 2 0 287.451 2.335 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1F ZINC000110977441 186338492 /nfs/dbraw/zinc/33/84/92/186338492.db2.gz BEYYEFOUKQCAEL-QGZVFWFLSA-N 2 0 291.414 2.162 10 0 CEAERP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704959 186313657 /nfs/dbraw/zinc/31/36/57/186313657.db2.gz GDNGTGDCOLBCII-QWHCGFSZSA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccccc2F)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704133 186313873 /nfs/dbraw/zinc/31/38/73/186313873.db2.gz QYXHKECPJAFXRJ-XJKCOSOUSA-N 2 0 279.403 2.240 10 0 CEAERP Cc1ccccc1[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110705309 186314056 /nfs/dbraw/zinc/31/40/56/186314056.db2.gz MMCBYUBNAVGVIC-OAHLLOKOSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110704808 186314452 /nfs/dbraw/zinc/31/44/52/186314452.db2.gz XVDGCGFPXWUZNT-JSGCOSHPSA-N 2 0 265.401 2.002 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705273 186314741 /nfs/dbraw/zinc/31/47/41/186314741.db2.gz RCSQEHZDKKOIHR-WFASDCNBSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)ccc2C)CC[N@@H+]1C ZINC000110709867 186315322 /nfs/dbraw/zinc/31/53/22/186315322.db2.gz IJYUJRQINISYNR-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716617 186315703 /nfs/dbraw/zinc/31/57/03/186315703.db2.gz GIUHMODRFGMGJH-IAGOWNOFSA-N 2 0 287.451 2.288 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110747048 186319881 /nfs/dbraw/zinc/31/98/81/186319881.db2.gz KNESKASYTCIJDM-MRXNPFEDSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H]1CN(CCC[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000110757045 186320357 /nfs/dbraw/zinc/32/03/57/186320357.db2.gz JWGNYCBBUVYOCB-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755494 186321272 /nfs/dbraw/zinc/32/12/72/186321272.db2.gz FVXGOMYLQKNNEF-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC[N@@H+]1C ZINC000110752332 186322104 /nfs/dbraw/zinc/32/21/04/186322104.db2.gz DULRJURTFIAMFF-PBHICJAKSA-N 2 0 273.424 2.116 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](CCC(C)C)C2CC2)CCOC1 ZINC000111022625 186344894 /nfs/dbraw/zinc/34/48/94/186344894.db2.gz KKVYMNUIYIUOEB-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP C[NH+](C)CC1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039670 186347124 /nfs/dbraw/zinc/34/71/24/186347124.db2.gz DCAWAZKCMLPOMX-HNNXBMFYSA-N 2 0 297.393 2.238 10 0 CEAERP CCC[NH2+][C@@H](C)c1cnc(N(C)CC[NH+](C)C)s1 ZINC000111151335 186361289 /nfs/dbraw/zinc/36/12/89/186361289.db2.gz FUZCESHNHDZASS-NSHDSACASA-N 2 0 270.446 2.202 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)ccc1F ZINC000111133289 186356419 /nfs/dbraw/zinc/35/64/19/186356419.db2.gz AQLJTWDWSSFEMS-OAHLLOKOSA-N 2 0 267.392 2.017 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111131750 186356487 /nfs/dbraw/zinc/35/64/87/186356487.db2.gz VVCWYLKUEWLLHU-IUODEOHRSA-N 2 0 267.392 2.098 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1OC)N(C)CCC[NH+](C)C ZINC000111131706 186356750 /nfs/dbraw/zinc/35/67/50/186356750.db2.gz WEROPPJDPFLLKE-RDJZCZTQSA-N 2 0 293.455 2.357 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000111133475 186356794 /nfs/dbraw/zinc/35/67/94/186356794.db2.gz LELVVWCVNKCXHH-ZDUSSCGKSA-N 2 0 287.810 2.362 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)CC[NH+](C)C ZINC000111134507 186356980 /nfs/dbraw/zinc/35/69/80/186356980.db2.gz RNGJPBLVQMJOPI-SJORKVTESA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)CCC[NH+](C)C ZINC000111136206 186357040 /nfs/dbraw/zinc/35/70/40/186357040.db2.gz OGFUVNHSHWSLBP-DLBZAZTESA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N(C)CC[NH+](C)C ZINC000111135476 186357172 /nfs/dbraw/zinc/35/71/72/186357172.db2.gz DLQIBUCPECAJGO-HOCLYGCPSA-N 2 0 263.429 2.219 10 0 CEAERP CCC[NH2+][C@H](CN(C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000111134810 186357310 /nfs/dbraw/zinc/35/73/10/186357310.db2.gz UHGUSNOSZHAZGV-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111148245 186358687 /nfs/dbraw/zinc/35/86/87/186358687.db2.gz BJXRXSSJDYVNLV-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@@H]([NH3+])c1ccc(F)cc1 ZINC000111148362 186359089 /nfs/dbraw/zinc/35/90/89/186359089.db2.gz JOBJKIZOPKEYAF-OAHLLOKOSA-N 2 0 267.392 2.099 10 0 CEAERP CC(C)[NH2+]Cc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000111149564 186359409 /nfs/dbraw/zinc/35/94/09/186359409.db2.gz PGFXEJKAKSJUSW-UHFFFAOYSA-N 2 0 263.429 2.178 10 0 CEAERP CCC[NH2+]Cc1oc(CN(C)CC[NH+](C)C)cc1C ZINC000111149995 186360013 /nfs/dbraw/zinc/36/00/13/186360013.db2.gz YREFEZZEDDSEQP-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP CCCC[N@H+](C[C@@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326636 186399099 /nfs/dbraw/zinc/39/90/99/186399099.db2.gz JTSHURCSODDBGY-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP [NH3+]CCc1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000111482634 186423187 /nfs/dbraw/zinc/42/31/87/186423187.db2.gz WFXMQZRFNAUGMK-QGZVFWFLSA-N 2 0 273.424 2.252 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337240262 366098095 /nfs/dbraw/zinc/09/80/95/366098095.db2.gz AUWFJXIHZLRMNM-YYIAUSFCSA-N 2 0 280.456 2.486 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(Br)c1F ZINC000575439505 366287224 /nfs/dbraw/zinc/28/72/24/366287224.db2.gz CAANESNHEKGKQU-VIFPVBQESA-N 2 0 261.138 2.327 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000575440383 366288687 /nfs/dbraw/zinc/28/86/87/366288687.db2.gz RSOKQZJWRPRJRP-QMMMGPOBSA-N 2 0 279.128 2.466 10 0 CEAERP CC(C)[NH+](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000578062609 366437045 /nfs/dbraw/zinc/43/70/45/366437045.db2.gz ADQPLBWDYMJZRL-LSDHHAIUSA-N 2 0 255.450 2.083 10 0 CEAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832313 299280599 /nfs/dbraw/zinc/28/05/99/299280599.db2.gz HVRQGHJISCIEMC-JQHSSLGASA-N 2 0 287.451 2.239 10 0 CEAERP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400759709 299291398 /nfs/dbraw/zinc/29/13/98/299291398.db2.gz XWIDIQQLIOTCST-GJZGRUSLSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccs2)CC1 ZINC000179515822 189199219 /nfs/dbraw/zinc/19/92/19/189199219.db2.gz SQPJMEKSRKSKRN-ZDUSSCGKSA-N 2 0 282.453 2.273 10 0 CEAERP C[C@H]1C[N@H+](Cc2cc(F)cc3cccnc32)C[C@@H]1C[NH3+] ZINC000631839127 367579171 /nfs/dbraw/zinc/57/91/71/367579171.db2.gz AQTPKEWWXNATHD-FZMZJTMJSA-N 2 0 273.355 2.401 10 0 CEAERP CSc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843005 367585229 /nfs/dbraw/zinc/58/52/29/367585229.db2.gz IHMMANHCVZSRMM-AAEUAGOBSA-N 2 0 250.411 2.435 10 0 CEAERP CC(=O)Nc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231454145 370478816 /nfs/dbraw/zinc/47/88/16/370478816.db2.gz IGNRHFBKXLBRHZ-MRXNPFEDSA-N 2 0 275.396 2.219 10 0 CEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000246719535 370999728 /nfs/dbraw/zinc/99/97/28/370999728.db2.gz XMZGWJYFOSKOHA-ILXRZTDVSA-N 2 0 295.471 2.131 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000251435988 371402027 /nfs/dbraw/zinc/40/20/27/371402027.db2.gz UDKCYTSWLQESGS-HRCADAONSA-N 2 0 297.487 2.105 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261577493 371659557 /nfs/dbraw/zinc/65/95/57/371659557.db2.gz CSXBJPXBXXOOPT-OUCADQQQSA-N 2 0 264.344 2.003 10 0 CEAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705468 371706278 /nfs/dbraw/zinc/70/62/78/371706278.db2.gz CXCABVWRVHHJQO-DOTOQJQBSA-N 3 0 288.439 2.123 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3scnc3C3CC3)C[C@@H]12 ZINC000261755626 371722282 /nfs/dbraw/zinc/72/22/82/371722282.db2.gz CNBOOZTVMOUECM-QJPTWQEYSA-N 2 0 263.410 2.190 10 0 CEAERP Cn1cc(-c2ccc(CN3CCCC[C@H]3C[NH3+])s2)cn1 ZINC000261917238 371768859 /nfs/dbraw/zinc/76/88/59/371768859.db2.gz JYQWXWBIRMWGFO-ZDUSSCGKSA-N 2 0 290.436 2.462 10 0 CEAERP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cs1 ZINC000261925576 371773105 /nfs/dbraw/zinc/77/31/05/371773105.db2.gz LAMZDDDBZPYYEC-RRFJBIMHSA-N 2 0 280.437 2.037 10 0 CEAERP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000380177755 375160500 /nfs/dbraw/zinc/16/05/00/375160500.db2.gz ODQYIZCGMBJVNX-ZLKJLUDKSA-N 2 0 250.411 2.480 10 0 CEAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400556707 375372152 /nfs/dbraw/zinc/37/21/52/375372152.db2.gz ZHWMOOBCFCQDTM-HUBLWGQQSA-N 2 0 275.396 2.294 10 0 CEAERP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000562959197 377037212 /nfs/dbraw/zinc/03/72/12/377037212.db2.gz CNUZTRWATRFGPU-CABCVRRESA-N 2 0 267.461 2.229 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)CC(C)(C)O)CCCC1 ZINC000092983234 184640194 /nfs/dbraw/zinc/64/01/94/184640194.db2.gz PMYXFSNHGOMKDJ-UHFFFAOYSA-N 2 0 270.461 2.495 10 0 CEAERP OC[C@@]1([NH2+]C2CC2)CCC[C@H]1CC[NH+]1CCCCC1 ZINC000093598589 184694645 /nfs/dbraw/zinc/69/46/45/184694645.db2.gz DXBNTMXFNZJARN-HOCLYGCPSA-N 2 0 266.429 2.146 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC000093797582 184722399 /nfs/dbraw/zinc/72/23/99/184722399.db2.gz NAFQDUXLXZIFJG-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074111 184753773 /nfs/dbraw/zinc/75/37/73/184753773.db2.gz WNUPTKPQWWHFRK-JKSUJKDBSA-N 2 0 261.413 2.021 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(OCC[NH+](CC)CC)cn1 ZINC000094216388 184764220 /nfs/dbraw/zinc/76/42/20/184764220.db2.gz UKMVLSBEUZVPDD-CYBMUJFWSA-N 2 0 265.401 2.082 10 0 CEAERP C[NH2+][C@@H]1[C@@H](CN(C)CC[NH+]2CCCC2)CCCC1(C)C ZINC000094288463 184775688 /nfs/dbraw/zinc/77/56/88/184775688.db2.gz MQRXLUKKXAMVGX-HZPDHXFCSA-N 2 0 281.488 2.428 10 0 CEAERP CC1(C)CCC[C@H]1[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094311084 184778492 /nfs/dbraw/zinc/77/84/92/184778492.db2.gz DXNBIZZELRCKSH-CQSZACIVSA-N 2 0 254.418 2.395 10 0 CEAERP C[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2C[NH3+])CC1 ZINC000094334494 184782846 /nfs/dbraw/zinc/78/28/46/184782846.db2.gz FYNDTFREUHXCNI-UHFFFAOYSA-N 2 0 289.301 2.032 10 0 CEAERP CCC[C@@H](CC[NH3+])CCCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094462584 184805223 /nfs/dbraw/zinc/80/52/23/184805223.db2.gz XJGGBZSHLKTSLT-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000094751869 184852923 /nfs/dbraw/zinc/85/29/23/184852923.db2.gz KGBLKHQUKJKGRD-HZPDHXFCSA-N 2 0 295.471 2.227 10 0 CEAERP COCC[N@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000094758028 184854043 /nfs/dbraw/zinc/85/40/43/184854043.db2.gz GOLAZTCVEYFALJ-UHFFFAOYSA-N 2 0 265.401 2.048 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000089482619 135059182 /nfs/dbraw/zinc/05/91/82/135059182.db2.gz MBEDZBDJCJJUSN-CVEARBPZSA-N 2 0 273.424 2.184 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094443204 135088752 /nfs/dbraw/zinc/08/87/52/135088752.db2.gz VMPXBKXLVRFJJV-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000134093029 394956114 /nfs/dbraw/zinc/95/61/14/394956114.db2.gz DOWSTCVXPVRKTR-YESZJQIVSA-N 2 0 280.456 2.415 10 0 CEAERP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000123821110 287101934 /nfs/dbraw/zinc/10/19/34/287101934.db2.gz SMBYAGABOUNUMB-CABCVRRESA-N 2 0 254.418 2.098 10 0 CEAERP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020315995 171146223 /nfs/dbraw/zinc/14/62/23/171146223.db2.gz FQOYMIIAGMGLER-UONOGXRCSA-N 2 0 271.449 2.001 10 0 CEAERP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365656 171164092 /nfs/dbraw/zinc/16/40/92/171164092.db2.gz AVKRHSPYDFJDIZ-SOUVJXGZSA-N 2 0 285.476 2.390 10 0 CEAERP [NH3+]CC[C@@H](COc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000020402236 171182169 /nfs/dbraw/zinc/18/21/69/171182169.db2.gz ACYREVKMLLZZQI-AWEZNQCLSA-N 2 0 266.360 2.408 10 0 CEAERP Cc1ccc(OC[C@@H](CC[NH3+])[NH+]2CCCC2)c(C)c1 ZINC000020402075 171182677 /nfs/dbraw/zinc/18/26/77/171182677.db2.gz OTQHNOAFPFZANW-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000022175746 171370269 /nfs/dbraw/zinc/37/02/69/171370269.db2.gz MMQXBSSOBMLARP-BPLDGKMQSA-N 2 0 291.439 2.429 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000022176614 171371083 /nfs/dbraw/zinc/37/10/83/171371083.db2.gz PNEWHEVDAYCNMH-MRXNPFEDSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022221104 171377574 /nfs/dbraw/zinc/37/75/74/171377574.db2.gz VUZQHEHNAGRSRB-MJBXVCDLSA-N 2 0 289.423 2.450 10 0 CEAERP CC[NH+]1CCN([C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022566038 171391584 /nfs/dbraw/zinc/39/15/84/171391584.db2.gz NZGHQZYQSJCRKU-IRXDYDNUSA-N 2 0 275.440 2.349 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCO2)CC1 ZINC000037210344 173033293 /nfs/dbraw/zinc/03/32/93/173033293.db2.gz CLQWFPUXCGFQAV-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)C[C@H](CN[C@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221708 173041961 /nfs/dbraw/zinc/04/19/61/173041961.db2.gz XAWYRTURERWXRS-BZUAXINKSA-N 2 0 269.477 2.283 10 0 CEAERP COc1ccc(CC[C@](C)(C[NH3+])[NH+]2CCCC2)cc1 ZINC000037497413 173236622 /nfs/dbraw/zinc/23/66/22/173236622.db2.gz JYVQHAMSZSBVFC-MRXNPFEDSA-N 2 0 262.397 2.441 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000040593167 174347925 /nfs/dbraw/zinc/34/79/25/174347925.db2.gz MJXYWSBDWWBOAI-CQSZACIVSA-N 2 0 262.397 2.440 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693675 174377477 /nfs/dbraw/zinc/37/74/77/174377477.db2.gz OJVHXTWCODGJGU-HOCLYGCPSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693933 174378018 /nfs/dbraw/zinc/37/80/18/174378018.db2.gz IQZSZAJPGLVGBO-UKRRQHHQSA-N 2 0 253.434 2.063 10 0 CEAERP CCC[C@@](C)([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694476 174378357 /nfs/dbraw/zinc/37/83/57/174378357.db2.gz FOYYZVNDSBICIX-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](C(C)(C)C)CC2)o1 ZINC000043364752 175025294 /nfs/dbraw/zinc/02/52/94/175025294.db2.gz IATQMCIWHKZAIG-UKRRQHHQSA-N 2 0 279.428 2.392 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043365320 175026907 /nfs/dbraw/zinc/02/69/07/175026907.db2.gz WHSYIWCXSKPZRL-CZUORRHYSA-N 2 0 279.428 2.392 10 0 CEAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1C ZINC000043815221 175111800 /nfs/dbraw/zinc/11/18/00/175111800.db2.gz ALSXWNXGRYTCOX-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815311 175112548 /nfs/dbraw/zinc/11/25/48/175112548.db2.gz DATJXMPSLQQYBN-KBMXLJTQSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817809 175112892 /nfs/dbraw/zinc/11/28/92/175112892.db2.gz SOTKNUQQXJPEIK-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818517 175113038 /nfs/dbraw/zinc/11/30/38/175113038.db2.gz VNROVPZVNPUKOT-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897268 175119943 /nfs/dbraw/zinc/11/99/43/175119943.db2.gz VTXFWBPORVIDGR-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)CCOCC[N@@H+]1CC[C@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109372 175309367 /nfs/dbraw/zinc/30/93/67/175309367.db2.gz CHXITXMEDYLILC-CABCVRRESA-N 2 0 256.434 2.369 10 0 CEAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045370430 175364538 /nfs/dbraw/zinc/36/45/38/175364538.db2.gz FFUQPQLLHFKBJH-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372306 175364934 /nfs/dbraw/zinc/36/49/34/175364934.db2.gz PTTVTDKNHCNETF-OAHLLOKOSA-N 2 0 269.433 2.014 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000045391935 175375278 /nfs/dbraw/zinc/37/52/78/175375278.db2.gz FMAHKUUFFFGKIW-JSGCOSHPSA-N 2 0 258.406 2.023 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCC[NH+](CC(C)C)CC(C)C ZINC000045420409 175378563 /nfs/dbraw/zinc/37/85/63/175378563.db2.gz IZKFQCDBIOWDQG-HNNXBMFYSA-N 2 0 272.433 2.271 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000070506693 175958993 /nfs/dbraw/zinc/95/89/93/175958993.db2.gz CAUHSUGROOLSEP-QGZVFWFLSA-N 2 0 295.471 2.132 10 0 CEAERP c1ccc(C[N@H+]2C[C@@H](CN[C@@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277291 415669435 /nfs/dbraw/zinc/66/94/35/415669435.db2.gz YKSYOXBOQXABPF-QZTJIDSGSA-N 2 0 299.462 2.240 10 0 CEAERP C[N@H+](Cc1ccc(CC[NH3+])cc1)Cc1cccnc1 ZINC000070542609 175978333 /nfs/dbraw/zinc/97/83/33/175978333.db2.gz CTWOHGCOVWQQNE-UHFFFAOYSA-N 2 0 255.365 2.215 10 0 CEAERP CC[C@H]1CN(C[C@@H](C)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000070942716 176015685 /nfs/dbraw/zinc/01/56/85/176015685.db2.gz SKUSJUOJWUTEIH-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@H+](C[C@@H](C[NH3+])c1ccccc1)CC1CCOCC1 ZINC000070943340 176016045 /nfs/dbraw/zinc/01/60/45/176016045.db2.gz NIXZFIVNCQCDJM-MRXNPFEDSA-N 2 0 262.397 2.087 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)C1 ZINC000071123890 176035195 /nfs/dbraw/zinc/03/51/95/176035195.db2.gz RBTOTZADFLDTFI-HOCLYGCPSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071162187 176046167 /nfs/dbraw/zinc/04/61/67/176046167.db2.gz DHQFBXYTKKXONO-GVDBMIGSSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188084 176061998 /nfs/dbraw/zinc/06/19/98/176061998.db2.gz WUNPGMQCROCONR-WOSRLPQWSA-N 2 0 279.403 2.098 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188141 176063035 /nfs/dbraw/zinc/06/30/35/176063035.db2.gz XHYWZQVXYGIQAM-IIAWOOMASA-N 2 0 279.428 2.250 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188407 176063084 /nfs/dbraw/zinc/06/30/84/176063084.db2.gz QMWMPRLWQGNLAY-INMHGKMJSA-N 2 0 275.440 2.001 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188913 176063543 /nfs/dbraw/zinc/06/35/43/176063543.db2.gz VEKYICADVUSPIG-FZKCQIBNSA-N 2 0 267.461 2.037 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188714 176063634 /nfs/dbraw/zinc/06/36/34/176063634.db2.gz DSIPWUJWJTTXJP-BFYDXBDKSA-N 2 0 275.440 2.267 10 0 CEAERP CC[C@@H]([C@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190585 176066890 /nfs/dbraw/zinc/06/68/90/176066890.db2.gz FLUJEAHBDVTLQY-HYVNUMGLSA-N 2 0 276.424 2.382 10 0 CEAERP C[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191451 176069555 /nfs/dbraw/zinc/06/95/55/176069555.db2.gz PTXGVNJBEALEPL-HNNXBMFYSA-N 2 0 267.461 2.040 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191298 176070055 /nfs/dbraw/zinc/07/00/55/176070055.db2.gz FNKNYKYMHAFGLI-NVXWUHKLSA-N 2 0 275.440 2.268 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192327 176074043 /nfs/dbraw/zinc/07/40/43/176074043.db2.gz ZRLFHCYMNOENSY-RRFJBIMHSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1ncsc1C[NH2+]CCC[C@@H]1CCC[NH2+]C1 ZINC000071213781 176085312 /nfs/dbraw/zinc/08/53/12/176085312.db2.gz FSDMSHXBPDENKX-LBPRGKRZSA-N 2 0 253.415 2.321 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263570 176096714 /nfs/dbraw/zinc/09/67/14/176096714.db2.gz ASXWONAGSYXEIN-UHFFFAOYSA-N 2 0 267.392 2.058 10 0 CEAERP C[N@H+](CCc1ccncc1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267725 176101035 /nfs/dbraw/zinc/10/10/35/176101035.db2.gz KBEOATNJDLFLLG-UHFFFAOYSA-N 2 0 286.354 2.179 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CCC[NH+](CC)CC ZINC000071293098 176111289 /nfs/dbraw/zinc/11/12/89/176111289.db2.gz FUIKRTAWQVLOJQ-UHFFFAOYSA-N 2 0 272.433 2.431 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000071297372 176112600 /nfs/dbraw/zinc/11/26/00/176112600.db2.gz RVOTYHBIIBWUOX-HNNXBMFYSA-N 2 0 284.444 2.431 10 0 CEAERP CCCN([C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000071314815 176121038 /nfs/dbraw/zinc/12/10/38/176121038.db2.gz FYXGRBLLEUGRFW-ZWKOTPCHSA-N 2 0 287.451 2.335 10 0 CEAERP C[N@H+](CCn1c(N)[nH+]c2ccccc21)C1CCCC1 ZINC000071377697 176142571 /nfs/dbraw/zinc/14/25/71/176142571.db2.gz IDQVCWDJRSXBJK-UHFFFAOYSA-N 2 0 258.369 2.493 10 0 CEAERP Cc1ccc(N)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000071384089 176146994 /nfs/dbraw/zinc/14/69/94/176146994.db2.gz UTZBJUNUXFBVBB-UHFFFAOYSA-N 2 0 261.413 2.351 10 0 CEAERP CC[N@H+](CCC[C@@H]([NH3+])c1ccccc1)CCOC ZINC000071401854 176154014 /nfs/dbraw/zinc/15/40/14/176154014.db2.gz SIDWCESQRZXPFP-OAHLLOKOSA-N 2 0 250.386 2.435 10 0 CEAERP CN(c1ccccc1)[C@@H](CC[NH3+])C[NH+]1CCCCC1 ZINC000076673564 177055312 /nfs/dbraw/zinc/05/53/12/177055312.db2.gz SKVDFCLZADDXSZ-INIZCTEOSA-N 2 0 261.413 2.326 10 0 CEAERP CC[NH2+]CCc1csc(CC[NH+](CC)CC)n1 ZINC000076812131 177105185 /nfs/dbraw/zinc/10/51/85/177105185.db2.gz JPBOTXNCPAJWQQ-UHFFFAOYSA-N 2 0 255.431 2.179 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529751 262207080 /nfs/dbraw/zinc/20/70/80/262207080.db2.gz LGTCYUSRVDKRHX-MSOLQXFVSA-N 2 0 287.451 2.383 10 0 CEAERP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609539 262226962 /nfs/dbraw/zinc/22/69/62/262226962.db2.gz ZDWWJVAYJFOJAR-RDJZCZTQSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098043 270834978 /nfs/dbraw/zinc/83/49/78/270834978.db2.gz JUMWREJQLZLYJX-BHPKHCPMSA-N 2 0 254.418 2.310 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000121086566 278395467 /nfs/dbraw/zinc/39/54/67/278395467.db2.gz NVCCLYYLUQENGQ-CVEARBPZSA-N 2 0 280.456 2.367 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127947375 279133685 /nfs/dbraw/zinc/13/36/85/279133685.db2.gz SCRXJASFXNLERZ-BZUAXINKSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000128359755 279885880 /nfs/dbraw/zinc/88/58/80/279885880.db2.gz AJYBUAPKLGVKLG-ZDUSSCGKSA-N 2 0 283.460 2.142 10 0 CEAERP CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136099015 280058014 /nfs/dbraw/zinc/05/80/14/280058014.db2.gz YILRSVIEIFJHRT-HOTGVXAUSA-N 2 0 297.487 2.345 10 0 CEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246505807 280297943 /nfs/dbraw/zinc/29/79/43/280297943.db2.gz SIXCDIGAVJWVGN-OWYFMNJBSA-N 2 0 295.471 2.093 10 0 CEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000247963816 280341190 /nfs/dbraw/zinc/34/11/90/280341190.db2.gz GNVPQWBPNJYUAS-YYIAUSFCSA-N 2 0 298.471 2.017 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000235469380 298877034 /nfs/dbraw/zinc/87/70/34/298877034.db2.gz OIBZVSWFKCSCJN-SLBVQIDZSA-N 2 0 266.429 2.454 10 0 CEAERP C[C@H]([NH2+]CCCc1nccs1)[C@H]1CCC[NH2+]C1 ZINC000576146997 314246944 /nfs/dbraw/zinc/24/69/44/314246944.db2.gz VJVKJAGUJLSUOR-RYUDHWBXSA-N 2 0 253.415 2.053 10 0 CEAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000382827947 321844128 /nfs/dbraw/zinc/84/41/28/321844128.db2.gz WZIJBHVPBGPNKB-JKSUJKDBSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371233 519744445 /nfs/dbraw/zinc/74/44/45/519744445.db2.gz QHLJMMILUWVWAL-INIZCTEOSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH2+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180891 519909369 /nfs/dbraw/zinc/90/93/69/519909369.db2.gz SQIVEWBSIOPIAH-UHFFFAOYSA-N 2 0 254.418 2.269 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181488 519910315 /nfs/dbraw/zinc/91/03/15/519910315.db2.gz CBQMUVYIPVBJNQ-AWEZNQCLSA-N 2 0 286.485 2.220 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419883 519913296 /nfs/dbraw/zinc/91/32/96/519913296.db2.gz TYCHBLIJYGALGJ-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419748 519928571 /nfs/dbraw/zinc/92/85/71/519928571.db2.gz GBAVTLNEQVOXMV-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052480761 521037173 /nfs/dbraw/zinc/03/71/73/521037173.db2.gz WPPZVXKJKYVLCE-CFVMTHIKSA-N 2 0 254.418 2.406 10 0 CEAERP CC[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052542741 521135014 /nfs/dbraw/zinc/13/50/14/521135014.db2.gz XNKYPSFFWYEQCO-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CCCc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998279 521529243 /nfs/dbraw/zinc/52/92/43/521529243.db2.gz UXAKHKBJBGITDQ-LLVKDONJSA-N 2 0 282.457 2.085 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@H]([NH3+])c1ccccc1C ZINC000045687432 521656186 /nfs/dbraw/zinc/65/61/86/521656186.db2.gz GBWPUFCHLGITBA-MRXNPFEDSA-N 2 0 263.429 2.268 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](CCOC)CC(C)C)c(C)o1 ZINC000052508727 522107944 /nfs/dbraw/zinc/10/79/44/522107944.db2.gz XBQZLOGSASIBRF-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000055064208 522126963 /nfs/dbraw/zinc/12/69/63/522126963.db2.gz OHMHGBGELJPVHO-CQSZACIVSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419788 522542594 /nfs/dbraw/zinc/54/25/94/522542594.db2.gz DEEDGRNNXWBUNV-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C(C[C@@H]1CCC[NH2+]1)CN1CC[NH+](C2CCCC2)CC1 ZINC000052764754 518396621 /nfs/dbraw/zinc/39/66/21/518396621.db2.gz YOUQSDZPVBBJDI-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055163078 518710825 /nfs/dbraw/zinc/71/08/25/518710825.db2.gz CPVUSJCECGBVOS-LSDHHAIUSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055163075 518711472 /nfs/dbraw/zinc/71/14/72/518711472.db2.gz CPVUSJCECGBVOS-HUUCEWRRSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)(C)[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953239 518711560 /nfs/dbraw/zinc/71/15/60/518711560.db2.gz QRSIBPDITVYRCX-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)CN(CC[NH+](C)C)c1ncc([C@@H](C)[NH3+])s1 ZINC000054896623 519716639 /nfs/dbraw/zinc/71/66/39/519716639.db2.gz XISNNCSNPFFAHL-LLVKDONJSA-N 2 0 270.446 2.187 10 0 CEAERP CC(C)[NH2+]CCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515415 519720445 /nfs/dbraw/zinc/72/04/45/519720445.db2.gz UDFDRBXLAYKKQS-UHFFFAOYSA-N 3 0 269.477 2.428 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2F)CC1 ZINC000055082207 519726030 /nfs/dbraw/zinc/72/60/30/519726030.db2.gz ODDXRJLGZNTXEZ-QGZVFWFLSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000055081876 519726484 /nfs/dbraw/zinc/72/64/84/519726484.db2.gz CWAUJXLFEYSMTG-JYJNAYRXSA-N 2 0 267.461 2.024 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055082041 519726723 /nfs/dbraw/zinc/72/67/23/519726723.db2.gz WQUIQYQWVNDHNP-JKSUJKDBSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2cccc(F)c2)[C@H](C)[NH3+])CC1 ZINC000055077456 519727496 /nfs/dbraw/zinc/72/74/96/519727496.db2.gz FDKDVAVUUFTICK-WMLDXEAASA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC1 ZINC000055077452 519727906 /nfs/dbraw/zinc/72/79/06/519727906.db2.gz FDKDVAVUUFTICK-PBHICJAKSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000055078405 519728156 /nfs/dbraw/zinc/72/81/56/519728156.db2.gz SONIWCVVCDRQQN-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccsc2)[C@H](C)[NH3+])CC1 ZINC000055077324 519728400 /nfs/dbraw/zinc/72/84/00/519728400.db2.gz JYHDYSIWXXGGEG-ZFWWWQNUSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@H]2CCCC[C@@H]2C)nn1 ZINC000052546758 519728760 /nfs/dbraw/zinc/72/87/60/519728760.db2.gz DPYKQHBFLHXHRJ-HOCLYGCPSA-N 2 0 293.459 2.287 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516852 519735535 /nfs/dbraw/zinc/73/55/35/519735535.db2.gz GUBVGOKDHWZOSN-INIZCTEOSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[NH2+]CCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000052477760 519743164 /nfs/dbraw/zinc/74/31/64/519743164.db2.gz JHTMBXGUJAACQH-UHFFFAOYSA-N 3 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000052424319 519743508 /nfs/dbraw/zinc/74/35/08/519743508.db2.gz XNKLUYOPLUKSKH-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055163216 519845721 /nfs/dbraw/zinc/84/57/21/519845721.db2.gz SPRUYUDYWUIETM-LSDHHAIUSA-N 2 0 295.471 2.132 10 0 CEAERP CCC[NH+]1CCC(NC2=[NH+]C(C)(C)CS2)CC1 ZINC000049559142 519846434 /nfs/dbraw/zinc/84/64/34/519846434.db2.gz HCLYNDJQQSMSGT-UHFFFAOYSA-N 2 0 255.431 2.332 10 0 CEAERP CCC1CCC(C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061642995 519850501 /nfs/dbraw/zinc/85/05/01/519850501.db2.gz JMVMVFMYSJCPKK-HWOWSKLDSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596473 519859466 /nfs/dbraw/zinc/85/94/66/519859466.db2.gz ISRZSSSYSCXRCK-INIZCTEOSA-N 2 0 291.439 2.031 10 0 CEAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000052417685 519920141 /nfs/dbraw/zinc/92/01/41/519920141.db2.gz HCWVXQMHYJWZNV-CYBMUJFWSA-N 2 0 282.457 2.043 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547427 519925362 /nfs/dbraw/zinc/92/53/62/519925362.db2.gz VKPKQWVYYMVGDC-JYJNAYRXSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH2+]C[C@@H](C)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702362 519944103 /nfs/dbraw/zinc/94/41/03/519944103.db2.gz OHPLHADTFMHFRM-ZBFHGGJFSA-N 2 0 262.397 2.276 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425385 519977238 /nfs/dbraw/zinc/97/72/38/519977238.db2.gz OMNZAJZTTSXCEZ-CVEARBPZSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425072 519977429 /nfs/dbraw/zinc/97/74/29/519977429.db2.gz NPYUDUFKWLOKIX-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+][C@@H](CN(CCC)CC[NH+](C)C)C1CC1 ZINC000069074696 520008265 /nfs/dbraw/zinc/00/82/65/520008265.db2.gz TVVUFOBCEYKAJV-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@@H](CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069074585 520009608 /nfs/dbraw/zinc/00/96/08/520009608.db2.gz NTZGEPFKLPCGBB-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+]Cc1oc2ccccc2c1CN1CC[NH+](C)CC1 ZINC000052379335 520030638 /nfs/dbraw/zinc/03/06/38/520030638.db2.gz UZWQEWFHLWAYJN-UHFFFAOYSA-N 2 0 287.407 2.290 10 0 CEAERP CCC[NH2+][C@H](CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075598 520081269 /nfs/dbraw/zinc/08/12/69/520081269.db2.gz UQLCZBYOWKMIMP-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@@H]1CCCc2nc(N3CCC[N@H+](C)CC3)sc21 ZINC000054899115 520119324 /nfs/dbraw/zinc/11/93/24/520119324.db2.gz DNPXSBPBTRETPK-GFCCVEGCSA-N 2 0 294.468 2.272 10 0 CEAERP CCCO[C@@H]1CCC[N@@H+]([C@@H](C)CC[NH2+]C2CC2)C1 ZINC000052371681 520275215 /nfs/dbraw/zinc/27/52/15/520275215.db2.gz IMJOASNIYRKKAH-DZGCQCFKSA-N 2 0 254.418 2.408 10 0 CEAERP CC1(C)CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000061823152 520379767 /nfs/dbraw/zinc/37/97/67/520379767.db2.gz PPTWFRNTFOSCNT-LSDHHAIUSA-N 2 0 266.429 2.408 10 0 CEAERP CCN(CC)C(=O)CCC[N@@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063138904 520460710 /nfs/dbraw/zinc/46/07/10/520460710.db2.gz CIRLOYLZPVBNJT-INIZCTEOSA-N 2 0 297.487 2.345 10 0 CEAERP CCCC[NH+](CCCC)CCn1cc(C[NH2+]CC)nn1 ZINC000052443582 520495772 /nfs/dbraw/zinc/49/57/72/520495772.db2.gz AEGAJZOVFBAFKC-UHFFFAOYSA-N 2 0 281.448 2.290 10 0 CEAERP CCCCOCC[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049264138 520760278 /nfs/dbraw/zinc/76/02/78/520760278.db2.gz JHOCNMIVFMSSET-YIONKMFJSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653434 520909784 /nfs/dbraw/zinc/90/97/84/520909784.db2.gz ONENRHGEKBAIKR-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CCOC1CC[NH+](CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052182173 521655653 /nfs/dbraw/zinc/65/56/53/521655653.db2.gz LFMPCFYTAZYWFS-UHFFFAOYSA-N 2 0 296.455 2.036 10 0 CEAERP C[NH+](C)CCOc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733866 521797969 /nfs/dbraw/zinc/79/79/69/521797969.db2.gz DRTSZFFFWXPLLF-UHFFFAOYSA-N 2 0 294.395 2.244 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1occc1C[NH2+]C1CC1 ZINC000061654469 521841158 /nfs/dbraw/zinc/84/11/58/521841158.db2.gz QSYGRJXJIKCTON-HNNXBMFYSA-N 2 0 277.412 2.058 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1occc1C[NH2+]C ZINC000052547259 522091472 /nfs/dbraw/zinc/09/14/72/522091472.db2.gz SMVZHMMEWABTKT-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C[NH3+])oc1C ZINC000052547355 522093408 /nfs/dbraw/zinc/09/34/08/522093408.db2.gz MRXHGHBQNSGLKY-LLVKDONJSA-N 2 0 254.374 2.294 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)C2CCC(C)CC2)on1 ZINC000052345389 522102307 /nfs/dbraw/zinc/10/23/07/522102307.db2.gz JESRZDIHIMIJIK-UHFFFAOYSA-N 2 0 251.374 2.405 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)Cc2ccncc2)cc1 ZINC000052480999 522116788 /nfs/dbraw/zinc/11/67/88/522116788.db2.gz WSDHSCUHFKXXCW-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)CCc2ccncc2)cc1 ZINC000052483138 522117208 /nfs/dbraw/zinc/11/72/08/522117208.db2.gz DSMVNXWDIWUZHQ-UHFFFAOYSA-N 2 0 269.392 2.476 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)CC(C)C)o1 ZINC000052508517 522118567 /nfs/dbraw/zinc/11/85/67/522118567.db2.gz AFRQMIYFPRGALC-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000052543847 522123499 /nfs/dbraw/zinc/12/34/99/522123499.db2.gz SUVVVVHVQLQPIT-LSDHHAIUSA-N 2 0 260.381 2.269 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267074 522132440 /nfs/dbraw/zinc/13/24/40/522132440.db2.gz NSTGGXBEHTYUFT-PBHICJAKSA-N 2 0 273.424 2.247 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccncc1 ZINC000052481035 522133127 /nfs/dbraw/zinc/13/31/27/522133127.db2.gz WWMCCNFAFNAOFB-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccccn1 ZINC000052478906 522133927 /nfs/dbraw/zinc/13/39/27/522133927.db2.gz JTUAYILLNXYADP-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083015 522190130 /nfs/dbraw/zinc/19/01/30/522190130.db2.gz UBBCHSDKWOTZSL-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062974225 522229360 /nfs/dbraw/zinc/22/93/60/522229360.db2.gz WZQNZKGNSVNDFI-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[NH+](C(C)C)CC1 ZINC000053867662 522376619 /nfs/dbraw/zinc/37/66/19/522376619.db2.gz QZGNSBQOEKAVMY-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP COC1CC[NH+](C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559810 522705545 /nfs/dbraw/zinc/70/55/45/522705545.db2.gz IVLUPVDLFRJXSM-DZKIICNBSA-N 2 0 268.445 2.497 10 0 CEAERP COC1CC[NH+](Cc2occc2C[NH2+]C(C)C)CC1 ZINC000052455190 522707458 /nfs/dbraw/zinc/70/74/58/522707458.db2.gz XIYQAMNLPVSXLK-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP C[N@H+](CCCC1CC[NH2+]CC1)CCc1ccccn1 ZINC000050952482 522728561 /nfs/dbraw/zinc/72/85/61/522728561.db2.gz ZOIRSNHCDRLFGZ-UHFFFAOYSA-N 2 0 261.413 2.336 10 0 CEAERP CN1CCC([N@H+](C)CCCC[NH2+]C(C)(C)C)CC1 ZINC000052419760 522734994 /nfs/dbraw/zinc/73/49/94/522734994.db2.gz MYMWRNGVTCKXNJ-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP Cn1cc[nH+]c1NCCC[N@H+](C)Cc1ccccc1 ZINC000050605673 522772410 /nfs/dbraw/zinc/77/24/10/522772410.db2.gz GEIOELVMMQXVGX-UHFFFAOYSA-N 2 0 258.369 2.354 10 0 CEAERP Cn1cc[nH+]c1NCCC[N@H+](C)C1CCCCC1 ZINC000050606018 522773808 /nfs/dbraw/zinc/77/38/08/522773808.db2.gz CDJUBUQBFMLLGM-UHFFFAOYSA-N 2 0 250.390 2.487 10 0 CEAERP C[N@H+](C[C@H]1CCCO1)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182993 523126958 /nfs/dbraw/zinc/12/69/58/523126958.db2.gz MGCOKQLORMARKT-OAHLLOKOSA-N 2 0 298.471 2.282 10 0 CEAERP CO[C@@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943857 523661368 /nfs/dbraw/zinc/66/13/68/523661368.db2.gz OWVUYRRJWXSTTG-IAGOWNOFSA-N 2 0 288.435 2.465 10 0 CEAERP COCC[N@H+]([C@H](C)CC[NH2+]C(C)(C)C)[C@@H](C)COC ZINC000052572464 523781636 /nfs/dbraw/zinc/78/16/36/523781636.db2.gz TXPLIAYXRLYHMR-KGLIPLIRSA-N 2 0 274.449 2.136 10 0 CEAERP COCC[NH2+]Cc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000062730461 523952605 /nfs/dbraw/zinc/95/26/05/523952605.db2.gz JIJJINFUIDYBEC-UHFFFAOYSA-N 2 0 286.803 2.016 10 0 CEAERP C[NH+](C)C1CCN(CC[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000053979694 524040311 /nfs/dbraw/zinc/04/03/11/524040311.db2.gz RYFPKLJAHNHMTR-INIZCTEOSA-N 2 0 279.403 2.242 10 0 CEAERP C[NH+](C)C1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054997446 524040857 /nfs/dbraw/zinc/04/08/57/524040857.db2.gz HBCSJSLIRZFKMG-UHFFFAOYSA-N 2 0 296.484 2.430 10 0 CEAERP C[NH+](C)CCCCn1c(N)[nH+]c2ccc(F)c(F)c21 ZINC000053170353 524052806 /nfs/dbraw/zinc/05/28/06/524052806.db2.gz VVHZIFMQBIPILF-UHFFFAOYSA-N 2 0 268.311 2.239 10 0 CEAERP C[C@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180803 524086491 /nfs/dbraw/zinc/08/64/91/524086491.db2.gz YCVNKYXROCYFKG-AWEZNQCLSA-N 2 0 266.429 2.267 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055125533 524101421 /nfs/dbraw/zinc/10/14/21/524101421.db2.gz XNKLIBUUDLJSGZ-QQFBHYJXSA-N 2 0 295.471 2.275 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477880 524190958 /nfs/dbraw/zinc/19/09/58/524190958.db2.gz VXLBEFYAHGRHBQ-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180446 524261118 /nfs/dbraw/zinc/26/11/18/524261118.db2.gz BUFUFIPZELCGGK-CYBMUJFWSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H](CC[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049559109 524480785 /nfs/dbraw/zinc/48/07/85/524480785.db2.gz GMBPAFWODCTGTF-VIFPVBQESA-N 2 0 250.321 2.270 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000050579047 525007213 /nfs/dbraw/zinc/00/72/13/525007213.db2.gz XGFCWJVUGAQGGG-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@](C[NH3+])(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763363 525741523 /nfs/dbraw/zinc/74/15/23/525741523.db2.gz ZZJMUVJJAAVPMS-IAGOWNOFSA-N 2 0 276.424 2.140 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061641989 525785760 /nfs/dbraw/zinc/78/57/60/525785760.db2.gz WHARCSLXQPYNEM-UMVBOHGHSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c(C)c1 ZINC000061643097 525952692 /nfs/dbraw/zinc/95/26/92/525952692.db2.gz NHFUIFGAUHTDKJ-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H](c1cccs1)[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052182437 526143924 /nfs/dbraw/zinc/14/39/24/526143924.db2.gz QAYAEYDULQHLQH-LBPRGKRZSA-N 2 0 268.426 2.496 10 0 CEAERP c1csc(C[N@@H+](CCN2CCC[NH2+]CC2)C2CC2)c1 ZINC000061275367 526579197 /nfs/dbraw/zinc/57/91/97/526579197.db2.gz SYTZDOLTSWTDLE-UHFFFAOYSA-N 2 0 279.453 2.008 10 0 CEAERP Cc1ncc(C[NH2+]C[C@@H](C[NH3+])c2ccccc2)s1 ZINC000061613662 527270628 /nfs/dbraw/zinc/27/06/28/527270628.db2.gz KYGCWCGTPPWRQY-CYBMUJFWSA-N 2 0 261.394 2.284 10 0 CEAERP CC1(C)CC(C)(C)CC2(C1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757144638 574510341 /nfs/dbraw/zinc/51/03/41/574510341.db2.gz GISOTYFVJVCULM-UHFFFAOYSA-N 2 0 252.402 2.271 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094440848 624146120 /nfs/dbraw/zinc/14/61/20/624146120.db2.gz KIOJIMPLWLOSNC-HUUCEWRRSA-N 2 0 253.434 2.064 10 0 CEAERP CCn1nc(C)c([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c1C ZINC000051694601 624523012 /nfs/dbraw/zinc/52/30/12/624523012.db2.gz KCXRGYPEXPKXKV-GWMXKSKGSA-N 2 0 264.417 2.440 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)CC[C@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000261785657 629227921 /nfs/dbraw/zinc/22/79/21/629227921.db2.gz XGCGMYDGJQBQHJ-BFYDXBDKSA-N 2 0 295.471 2.145 10 0 CEAERP CC(C)(C)n1cc([C@@H]2CC[C@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757237545 631839275 /nfs/dbraw/zinc/83/92/75/631839275.db2.gz QEWPQDPOJJXJDY-YPMHNXCESA-N 2 0 250.390 2.028 10 0 CEAERP C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(OC)cc21 ZINC000082509419 178076328 /nfs/dbraw/zinc/07/63/28/178076328.db2.gz BYDJLRRDUCFBIS-AWEZNQCLSA-N 2 0 276.380 2.203 10 0 CEAERP NC(=[NH2+])CCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000034940080 361798474 /nfs/dbraw/zinc/79/84/74/361798474.db2.gz NFXPFZRHVAKFFL-UHFFFAOYSA-N 2 0 280.803 2.178 10 0 CEAERP C[C@@H]1CCC[C@H](c2cncn2CCC[NH+](C)C)[NH2+]1 ZINC000097010934 185151989 /nfs/dbraw/zinc/15/19/89/185151989.db2.gz GTKMLBMAJBXFBB-CHWSQXEVSA-N 2 0 250.390 2.038 10 0 CEAERP CC(C)N1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265974 539213427 /nfs/dbraw/zinc/21/34/27/539213427.db2.gz FYECBMUMWSQBNQ-LBPRGKRZSA-N 2 0 253.434 2.107 10 0 CEAERP CCC[NH+]1CCN(c2ccc(C[C@@H]([NH3+])CC)cc2)CC1 ZINC000111489701 534933331 /nfs/dbraw/zinc/93/33/31/534933331.db2.gz XZBWVJOVJWRASG-INIZCTEOSA-N 2 0 275.440 2.498 10 0 CEAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309852726 344729810 /nfs/dbraw/zinc/72/98/10/344729810.db2.gz BFSDGMWSDDHLPB-RCCFBDPRSA-N 2 0 288.435 2.402 10 0 CEAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129099263 232211126 /nfs/dbraw/zinc/21/11/26/232211126.db2.gz IWCPYTCGGOWOOG-HIFRSBDPSA-N 2 0 262.397 2.445 10 0 CEAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000151332563 232217172 /nfs/dbraw/zinc/21/71/72/232217172.db2.gz LDZDDKXSTWDDMT-DZGCQCFKSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[NH+]1CCN([C@@]2(C[NH3+])CC[C@H](C)[C@@H](C)C2)CC1 ZINC000084989215 178939838 /nfs/dbraw/zinc/93/98/38/178939838.db2.gz MRVJOGZARNMBRE-JYJNAYRXSA-N 2 0 267.461 2.166 10 0 CEAERP CCC1(CC)CC[NH+](CCC[C@](C)(O)C[NH3+])CC1 ZINC000085303341 179010767 /nfs/dbraw/zinc/01/07/67/179010767.db2.gz GEBZIPCOQPOOJG-AWEZNQCLSA-N 2 0 256.434 2.379 10 0 CEAERP C[C@@H](C[C@@](C)(O)C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000085302089 179011594 /nfs/dbraw/zinc/01/15/94/179011594.db2.gz FMUAZLYWCYEMSZ-SWLSCSKDSA-N 2 0 256.434 2.233 10 0 CEAERP C[C@](O)(C[NH3+])CCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300962 179010292 /nfs/dbraw/zinc/01/02/92/179010292.db2.gz ZQRVLWPKSDNEFT-HUUCEWRRSA-N 2 0 254.418 2.131 10 0 CEAERP CC[C@H](C)NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403758 179052957 /nfs/dbraw/zinc/05/29/57/179052957.db2.gz KOCASBNMSVJRLO-GOEBONIOSA-N 2 0 295.471 2.145 10 0 CEAERP CC[N@@H+]1CC[C@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570482 179096543 /nfs/dbraw/zinc/09/65/43/179096543.db2.gz KSIJUMWINUJCBV-ZDUSSCGKSA-N 2 0 290.455 2.168 10 0 CEAERP CC(C)c1nc2c(n1[C@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573175 179098172 /nfs/dbraw/zinc/09/81/72/179098172.db2.gz HACKWNHATSUCAT-OAHLLOKOSA-N 2 0 278.444 2.411 10 0 CEAERP CCCc1nc2c(n1[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573170 179098439 /nfs/dbraw/zinc/09/84/39/179098439.db2.gz DPGDPEAMYHLMHL-HNNXBMFYSA-N 2 0 278.444 2.240 10 0 CEAERP CC(C)C[C@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621717 179106135 /nfs/dbraw/zinc/10/61/35/179106135.db2.gz JNAYIITYWVYDIN-HOTGVXAUSA-N 2 0 278.444 2.372 10 0 CEAERP CCC1(CC)C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085627911 179106458 /nfs/dbraw/zinc/10/64/58/179106458.db2.gz RTXSKGZHDVPDBR-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[C@@H]1CN[C@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174337 179245613 /nfs/dbraw/zinc/24/56/13/179245613.db2.gz FCXGWJIUFHYBIB-CVEARBPZSA-N 2 0 269.477 2.425 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2C[C@H](c3ccccc3)[NH2+]C[C@@H]2C)C1 ZINC000086222998 179250834 /nfs/dbraw/zinc/25/08/34/179250834.db2.gz DOKCNJDIGNYMKW-XYJFISCASA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259302 179257816 /nfs/dbraw/zinc/25/78/16/179257816.db2.gz CZUCADLXLOOXHZ-ULQDDVLXSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1CN[C@H](CC(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259115 179257871 /nfs/dbraw/zinc/25/78/71/179257871.db2.gz DQKNOGUFTROAKU-IAGOWNOFSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259361 179258639 /nfs/dbraw/zinc/25/86/39/179258639.db2.gz FQCVELWVUCJEQU-QLFBSQMISA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](CC)C[NH2+]1 ZINC000086260766 179260533 /nfs/dbraw/zinc/26/05/33/179260533.db2.gz RTONANLKUONBBB-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP CCC1(CC)C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287124 179264496 /nfs/dbraw/zinc/26/44/96/179264496.db2.gz RXFYWTXRWGXGSR-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CCC1(CC)C[N@H+](CC2CC[NH+](C)CC2)[C@H](C)CN1 ZINC000086259059 179256441 /nfs/dbraw/zinc/25/64/41/179256441.db2.gz QWYNEYXXWJLMDX-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259028 179257253 /nfs/dbraw/zinc/25/72/53/179257253.db2.gz WNIJJWNAYOJPMA-HNNXBMFYSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293050 179265960 /nfs/dbraw/zinc/26/59/60/179265960.db2.gz YLTYUEMIEVVLMW-JKSUJKDBSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCCN[C@H](c3ccccc3)C2)CC1 ZINC000086291472 179266705 /nfs/dbraw/zinc/26/67/05/179266705.db2.gz DLNQFVHYSHCBRC-SFHVURJKSA-N 2 0 287.451 2.365 10 0 CEAERP CCC[NH+]1CCC(NC2=[NH+]C[C@H](C)CS2)CC1 ZINC000086632999 179314848 /nfs/dbraw/zinc/31/48/48/179314848.db2.gz DIDZECBQCMOHBU-NSHDSACASA-N 2 0 255.431 2.189 10 0 CEAERP CC(C)[N@H+](C)CCCCNC1=[NH+]C[C@@H](C)CS1 ZINC000086633229 179314875 /nfs/dbraw/zinc/31/48/75/179314875.db2.gz HJOATUUOYDQKEJ-GFCCVEGCSA-N 2 0 257.447 2.435 10 0 CEAERP C[C@@H]1CCC[C@@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000086676626 179319128 /nfs/dbraw/zinc/31/91/28/179319128.db2.gz CORVPMCCMHEUCQ-WBVHZDCISA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H]1CCC[C@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000086676627 179319376 /nfs/dbraw/zinc/31/93/76/179319376.db2.gz CORVPMCCMHEUCQ-NVXWUHKLSA-N 2 0 279.472 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)C[C@@H]2CCCO2)CC1 ZINC000086847764 179356514 /nfs/dbraw/zinc/35/65/14/179356514.db2.gz KKQATFJJVMQOOC-DLBZAZTESA-N 2 0 297.487 2.081 10 0 CEAERP CCOC(=O)N1CCC([NH2+][C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086835984 179349905 /nfs/dbraw/zinc/34/99/05/179349905.db2.gz VWUSSMCUNBKLDG-AWEZNQCLSA-N 2 0 297.443 2.071 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842507 179352945 /nfs/dbraw/zinc/35/29/45/179352945.db2.gz XDVJJDFUGBUNRF-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCC(=O)N(CC)CC)CC1 ZINC000086841081 179353736 /nfs/dbraw/zinc/35/37/36/179353736.db2.gz KKQVITIYEORPTP-HNNXBMFYSA-N 2 0 283.460 2.099 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846459 179355495 /nfs/dbraw/zinc/35/54/95/179355495.db2.gz VVJMXMQNFDILDT-OAHLLOKOSA-N 2 0 253.434 2.066 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846277 179355599 /nfs/dbraw/zinc/35/55/99/179355599.db2.gz RMDYACKXPMQGEK-MRXNPFEDSA-N 2 0 267.461 2.456 10 0 CEAERP CC[N@@H+]1CCC[C@@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867924 179360166 /nfs/dbraw/zinc/36/01/66/179360166.db2.gz RXUUCYSMYPITHE-OAHLLOKOSA-N 2 0 254.418 2.146 10 0 CEAERP CCC[N@@H+]1CCC[C@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868230 179360892 /nfs/dbraw/zinc/36/08/92/179360892.db2.gz IRPQZZDMTQEXCZ-HNNXBMFYSA-N 2 0 254.418 2.146 10 0 CEAERP CC[C@@H]1CCC[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086904714 179367170 /nfs/dbraw/zinc/36/71/70/179367170.db2.gz JOZWXKHIQIUXLA-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP CC1(C)CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916924 179367612 /nfs/dbraw/zinc/36/76/12/179367612.db2.gz QZXLKVRGWVGDAR-LSDHHAIUSA-N 2 0 295.471 2.132 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087045137 179388252 /nfs/dbraw/zinc/38/82/52/179388252.db2.gz JTTCUVWSLGWFPA-LVDPKSTMSA-N 2 0 268.445 2.248 10 0 CEAERP [NH3+]CCN1CCc2ccccc2[C@@H]1c1cccc(CCO)c1 ZINC000616692400 348562635 /nfs/dbraw/zinc/56/26/35/348562635.db2.gz PWTVZBWLVMTTQW-IBGZPJMESA-N 2 0 296.414 2.128 10 0 CEAERP CC[C@H]([C@H]([NH2+]C)c1ccccc1)N(C)CC[NH+](C)C ZINC000104202009 185928604 /nfs/dbraw/zinc/92/86/04/185928604.db2.gz PTDNUSUJPCEQBJ-HZPDHXFCSA-N 2 0 263.429 2.219 10 0 CEAERP C[N@H+](CCOC(F)(F)F)Cc1ccccc1C[NH3+] ZINC000089051517 179693897 /nfs/dbraw/zinc/69/38/97/179693897.db2.gz WSSMEFFPDOWLRB-UHFFFAOYSA-N 2 0 262.275 2.114 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH+]2CCC(C[NH3+])CC2)s1 ZINC000104308127 185962034 /nfs/dbraw/zinc/96/20/34/185962034.db2.gz NIQBHJBVYDNVEX-JTQLQIEISA-N 2 0 253.415 2.492 10 0 CEAERP CCCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089388915 179778254 /nfs/dbraw/zinc/77/82/54/179778254.db2.gz WCYGOYWOMRGBHT-ZBFHGGJFSA-N 2 0 295.471 2.132 10 0 CEAERP CC(C)[NH2+]Cc1cncn1C[C@H](C)C[NH+]1CCCC1 ZINC000090242431 179939183 /nfs/dbraw/zinc/93/91/83/179939183.db2.gz ZXNBDQVCUAQYTK-CQSZACIVSA-N 2 0 264.417 2.113 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566057 180005530 /nfs/dbraw/zinc/00/55/30/180005530.db2.gz WEQWSSBVHFYNRC-XGUBFFRZSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCC(CC)CC1 ZINC000090566353 180006022 /nfs/dbraw/zinc/00/60/22/180006022.db2.gz YGLXTOZEATYNNC-GJZGRUSLSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](C)C1CCCCC1 ZINC000090566021 180006048 /nfs/dbraw/zinc/00/60/48/180006048.db2.gz CKPHMEJJSNWPOZ-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP C(C[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000090693899 180026144 /nfs/dbraw/zinc/02/61/44/180026144.db2.gz CWNDHUBMVZOLGA-ILXRZTDVSA-N 2 0 252.402 2.020 10 0 CEAERP C[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090894329 180056141 /nfs/dbraw/zinc/05/61/41/180056141.db2.gz WFDQKOZXMISYJA-BYCMXARLSA-N 2 0 278.371 2.188 10 0 CEAERP CC[N@H+](C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(C)ccc2O1 ZINC000090897000 180056737 /nfs/dbraw/zinc/05/67/37/180056737.db2.gz PGXHDZWAWVJURA-ZFWWWQNUSA-N 2 0 262.397 2.215 10 0 CEAERP C[C@H]([NH3+])c1nc(CN2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000090958170 180074495 /nfs/dbraw/zinc/07/44/95/180074495.db2.gz GJGIUZBMXUFWMP-NSHDSACASA-N 2 0 282.457 2.079 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090976060 180079139 /nfs/dbraw/zinc/07/91/39/180079139.db2.gz ZKNUYCWXHRZIFP-AWEZNQCLSA-N 2 0 276.449 2.483 10 0 CEAERP CC[NH2+]Cc1cn(CC[NH+](CC)CC)c2ncccc12 ZINC000091020165 180087900 /nfs/dbraw/zinc/08/79/00/180087900.db2.gz OKQLMGXZRNLUQQ-UHFFFAOYSA-N 2 0 274.412 2.488 10 0 CEAERP c1csc(C[N@@H+](CC[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000091313870 180132946 /nfs/dbraw/zinc/13/29/46/180132946.db2.gz JVHSGYQQSQWYGS-CYBMUJFWSA-N 2 0 266.410 2.091 10 0 CEAERP C(CN1CCC([NH+]2CCCCC2)CC1)[C@@H]1CSCC[NH2+]1 ZINC000091292049 180123666 /nfs/dbraw/zinc/12/36/66/180123666.db2.gz GDDQZQSJNFJOSV-OAHLLOKOSA-N 2 0 297.512 2.032 10 0 CEAERP CC1CCC(C[NH3+])(CN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000091433186 180153736 /nfs/dbraw/zinc/15/37/36/180153736.db2.gz SLIWDRDHPTUAJQ-HWOWSKLDSA-N 2 0 267.461 2.168 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449218 180157278 /nfs/dbraw/zinc/15/72/78/180157278.db2.gz MQJJWLDBUVNLSC-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091449253 180157561 /nfs/dbraw/zinc/15/75/61/180157561.db2.gz FVTMTELPZSOTRA-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449277 180157577 /nfs/dbraw/zinc/15/75/77/180157577.db2.gz GMLKEMJNJVCENJ-ZFWWWQNUSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091449850 180158021 /nfs/dbraw/zinc/15/80/21/180158021.db2.gz ZQYWESLTUUNMSN-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122336 350199867 /nfs/dbraw/zinc/19/98/67/350199867.db2.gz ONUQCDANPQBGFG-LXTVHRRPSA-N 2 0 266.429 2.121 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392230 180144543 /nfs/dbraw/zinc/14/45/43/180144543.db2.gz OERNQYRLYASTNR-RCBQFDQVSA-N 2 0 279.403 2.240 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391718 180144589 /nfs/dbraw/zinc/14/45/89/180144589.db2.gz CLIRMTGKNHJEPG-LSDHHAIUSA-N 2 0 255.450 2.310 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000091393385 180145619 /nfs/dbraw/zinc/14/56/19/180145619.db2.gz ALLOXEZOQZDKHS-DOTOQJQBSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091394095 180145730 /nfs/dbraw/zinc/14/57/30/180145730.db2.gz FRXNZFNWYQWUHO-PVAVHDDUSA-N 2 0 275.440 2.409 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393976 180145745 /nfs/dbraw/zinc/14/57/45/180145745.db2.gz XEMDASKPUORCDC-GJZGRUSLSA-N 2 0 283.460 2.084 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091394941 180146350 /nfs/dbraw/zinc/14/63/50/180146350.db2.gz DEAZAYBPLUPANL-OWCLPIDISA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091394917 180146688 /nfs/dbraw/zinc/14/66/88/180146688.db2.gz OVEWRNCIUVXZDL-GJZGRUSLSA-N 2 0 255.450 2.166 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000091548012 180187423 /nfs/dbraw/zinc/18/74/23/180187423.db2.gz VHIRHOIOLYSXDK-HUUCEWRRSA-N 2 0 287.407 2.348 10 0 CEAERP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000091548163 180188024 /nfs/dbraw/zinc/18/80/24/180188024.db2.gz PPDDNKFXALDJLH-DZGCQCFKSA-N 2 0 287.407 2.348 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000091548862 180188468 /nfs/dbraw/zinc/18/84/68/180188468.db2.gz CPCBRSSPTQVZBP-CABCVRRESA-N 2 0 287.407 2.348 10 0 CEAERP CC[NH2+][C@@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCCC1 ZINC000091647742 180215538 /nfs/dbraw/zinc/21/55/38/180215538.db2.gz AIYGNMXANOWPRF-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP CCCN[C@@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716828 180232303 /nfs/dbraw/zinc/23/23/03/180232303.db2.gz SSRQPSAARSDPRT-HNNXBMFYSA-N 2 0 264.417 2.436 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1ccc(OC)c(F)c1 ZINC000091715697 180232768 /nfs/dbraw/zinc/23/27/68/180232768.db2.gz NWTIDLAXUOLFDY-CYBMUJFWSA-N 2 0 268.376 2.436 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)CC)C1CCC([NH3+])CC1 ZINC000091852439 180273166 /nfs/dbraw/zinc/27/31/66/180273166.db2.gz VLVQFWQWVLCSNZ-HESLUPGFSA-N 2 0 283.460 2.272 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](C)CC1 ZINC000091851600 180273217 /nfs/dbraw/zinc/27/32/17/180273217.db2.gz SCBQCYZMHRZNDQ-HWOWSKLDSA-N 3 0 267.461 2.453 10 0 CEAERP Cc1cccn2cc(C[N@@H+](C)C3CCC([NH3+])CC3)nc12 ZINC000091847719 180271118 /nfs/dbraw/zinc/27/11/18/180271118.db2.gz UCHWURWLCIEBEZ-UHFFFAOYSA-N 2 0 272.396 2.344 10 0 CEAERP CC[N@H+](CCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000091850645 180271857 /nfs/dbraw/zinc/27/18/57/180271857.db2.gz YACLCFZHVRFRSV-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@H+]([C@H](C)C(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091850725 180272123 /nfs/dbraw/zinc/27/21/23/180272123.db2.gz DCUYSMTXCWYOJE-QQFBHYJXSA-N 2 0 295.471 2.369 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000091872971 180277753 /nfs/dbraw/zinc/27/77/53/180277753.db2.gz KAELYGIDARRZIW-YMAMQOFZSA-N 2 0 290.407 2.289 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000091872850 180277855 /nfs/dbraw/zinc/27/78/55/180277855.db2.gz PFUSAZRMSILUIT-UHFFFAOYSA-N 2 0 289.423 2.478 10 0 CEAERP CC[NH+]1CCC(O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091906301 180284043 /nfs/dbraw/zinc/28/40/43/180284043.db2.gz FNFUAJWPMCRFDQ-UHFFFAOYSA-N 2 0 254.418 2.133 10 0 CEAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000300240623 282688938 /nfs/dbraw/zinc/68/89/38/282688938.db2.gz SYAZSVBGBRFGOT-MGPQQGTHSA-N 2 0 266.429 2.121 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000091996221 180302279 /nfs/dbraw/zinc/30/22/79/180302279.db2.gz WZXQEFYWAWIQQC-HIFRSBDPSA-N 2 0 277.412 2.435 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)nc1C[C@H](C)[NH3+] ZINC000092000051 180303555 /nfs/dbraw/zinc/30/35/55/180303555.db2.gz ODXYAJJGYBPHRZ-LBPRGKRZSA-N 2 0 265.401 2.000 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003630 180304503 /nfs/dbraw/zinc/30/45/03/180304503.db2.gz VKFWBSAHGDBMMS-MSOLQXFVSA-N 2 0 287.451 2.465 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082180 180319836 /nfs/dbraw/zinc/31/98/36/180319836.db2.gz QFKVSAGJPKTOFJ-XQQFMLRXSA-N 2 0 275.396 2.060 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092304619 180360452 /nfs/dbraw/zinc/36/04/52/180360452.db2.gz BFHCMNWAXHCQMA-UMVBOHGHSA-N 2 0 272.392 2.092 10 0 CEAERP c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092299777 180358301 /nfs/dbraw/zinc/35/83/01/180358301.db2.gz UGXTXCKWZFAFGA-KBPBESRZSA-N 2 0 272.392 2.237 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298946 180358955 /nfs/dbraw/zinc/35/89/55/180358955.db2.gz VWDDZQXPXXFITP-ZDUSSCGKSA-N 2 0 292.448 2.319 10 0 CEAERP c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092299778 180358993 /nfs/dbraw/zinc/35/89/93/180358993.db2.gz UGXTXCKWZFAFGA-ZIAGYGMSSA-N 2 0 272.392 2.237 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2cc(NC)cc[nH+]2)C1 ZINC000092419137 180381818 /nfs/dbraw/zinc/38/18/18/180381818.db2.gz ITDFIELJJVZKLM-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CN(CC[NH+]1CCCC1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589610 186264922 /nfs/dbraw/zinc/26/49/22/186264922.db2.gz IPXHXXOVZSEDKS-UHFFFAOYSA-N 2 0 284.407 2.226 10 0 CEAERP CCC[NH+]1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000109412528 186251327 /nfs/dbraw/zinc/25/13/27/186251327.db2.gz SKZZDZIBAMKVLY-KRWDZBQOSA-N 2 0 275.440 2.494 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1C ZINC000110275308 186289207 /nfs/dbraw/zinc/28/92/07/186289207.db2.gz ZEQNSLOAIOYYQN-GFCCVEGCSA-N 2 0 282.457 2.091 10 0 CEAERP CC[NH2+][C@H](CC)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110478300 186298846 /nfs/dbraw/zinc/29/88/46/186298846.db2.gz QYRNMAWZGKMQDT-CHWSQXEVSA-N 2 0 282.432 2.446 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CC1CC[NH+](C)CC1 ZINC000110629936 186307580 /nfs/dbraw/zinc/30/75/80/186307580.db2.gz JCHXWDVGEBCPBV-UHFFFAOYSA-N 2 0 292.358 2.108 10 0 CEAERP COc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110648622 186309873 /nfs/dbraw/zinc/30/98/73/186309873.db2.gz DCTPQZUQTIWLPN-GFCCVEGCSA-N 2 0 290.407 2.457 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000110921116 186332183 /nfs/dbraw/zinc/33/21/83/186332183.db2.gz NDUJKXPUWVBHPM-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1F ZINC000110977444 186339368 /nfs/dbraw/zinc/33/93/68/186339368.db2.gz BEYYEFOUKQCAEL-KRWDZBQOSA-N 2 0 291.414 2.162 10 0 CEAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704953 186313585 /nfs/dbraw/zinc/31/35/85/186313585.db2.gz GDNGTGDCOLBCII-CHWSQXEVSA-N 2 0 281.469 2.471 10 0 CEAERP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716449 186315306 /nfs/dbraw/zinc/31/53/06/186315306.db2.gz REMGBJPFRISDOZ-HNNXBMFYSA-N 2 0 291.439 2.111 10 0 CEAERP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000110714382 186315335 /nfs/dbraw/zinc/31/53/35/186315335.db2.gz DKCSYDBGRLTVLK-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110712110 186315675 /nfs/dbraw/zinc/31/56/75/186315675.db2.gz ZQAGQVNBOOLQBW-AWEZNQCLSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000110708768 186316645 /nfs/dbraw/zinc/31/66/45/186316645.db2.gz DJXCGGKPLDWBFX-ZOBUZTSGSA-N 2 0 275.440 2.143 10 0 CEAERP C[C@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751253 186319829 /nfs/dbraw/zinc/31/98/29/186319829.db2.gz SLROMWUPFONACD-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110754976 186319849 /nfs/dbraw/zinc/31/98/49/186319849.db2.gz QEYVNLAEBAEFQZ-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110754523 186320743 /nfs/dbraw/zinc/32/07/43/186320743.db2.gz WIVVWPPNKSPBKP-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755143 186321567 /nfs/dbraw/zinc/32/15/67/186321567.db2.gz GSYFDBFHHSMZNI-OAHLLOKOSA-N 2 0 269.477 2.283 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110751203 186322000 /nfs/dbraw/zinc/32/20/00/186322000.db2.gz NILXANZGXONNDU-ZDUSSCGKSA-N 2 0 287.407 2.288 10 0 CEAERP CC(C)C[NH2+]Cc1coc(CN(C)CCC[NH+](C)C)c1 ZINC000111150090 186360429 /nfs/dbraw/zinc/36/04/29/186360429.db2.gz PWYWXNBTUMFXHK-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CCC[NH2+][C@H](C)c1cnc(N(C)CC[NH+](C)C)s1 ZINC000111151338 186360615 /nfs/dbraw/zinc/36/06/15/186360615.db2.gz FUZCESHNHDZASS-LLVKDONJSA-N 2 0 270.446 2.202 10 0 CEAERP Cc1ccc(C)c([C@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133330 186356407 /nfs/dbraw/zinc/35/64/07/186356407.db2.gz YGVSPYLDBMZYBV-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC[NH+](C)C ZINC000111129943 186356517 /nfs/dbraw/zinc/35/65/17/186356517.db2.gz IFFKVGGDCKFPPW-SMDDNHRTSA-N 2 0 269.820 2.222 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CC[NH+](C)C ZINC000111135475 186357030 /nfs/dbraw/zinc/35/70/30/186357030.db2.gz DLQIBUCPECAJGO-GOEBONIOSA-N 2 0 263.429 2.219 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136084 186357301 /nfs/dbraw/zinc/35/73/01/186357301.db2.gz IBNATCWMKCWLNN-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1cccc(OCCN(C)CC[NH+](C)C)c1 ZINC000111149590 186358291 /nfs/dbraw/zinc/35/82/91/186358291.db2.gz UPGPQKIGIHYUKA-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171833 186365527 /nfs/dbraw/zinc/36/55/27/186365527.db2.gz BPLFTLKUINCFSD-LSDHHAIUSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH2+]C[C@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000111328937 186399641 /nfs/dbraw/zinc/39/96/41/186399641.db2.gz JNXVOMHDJYNLSD-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000111267030 186383444 /nfs/dbraw/zinc/38/34/44/186383444.db2.gz OLZVKNVVVJHJRY-UKRRQHHQSA-N 2 0 287.407 2.076 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)c(N(C)CC[NH+]2CCCC2)c(F)c1 ZINC000111499785 186424863 /nfs/dbraw/zinc/42/48/63/186424863.db2.gz BMTSBNZHYNAASB-GFCCVEGCSA-N 2 0 297.393 2.387 10 0 CEAERP Cc1cc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000630526582 351773150 /nfs/dbraw/zinc/77/31/50/351773150.db2.gz MCVYTYICDSFREY-PWSUYJOCSA-N 2 0 273.302 2.354 10 0 CEAERP [NH3+]C[C@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080115 540119755 /nfs/dbraw/zinc/11/97/55/540119755.db2.gz LJWPQCWZFAZUQH-OAHLLOKOSA-N 2 0 260.381 2.016 10 0 CEAERP CCCN(CC[NH+](CC)CC)C[C@@H]1CCC[NH2+]C1 ZINC000220437360 283235049 /nfs/dbraw/zinc/23/50/49/283235049.db2.gz YNIGFVMXMOLLSH-OAHLLOKOSA-N 2 0 255.450 2.040 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000390517798 540390801 /nfs/dbraw/zinc/39/08/01/540390801.db2.gz DOKJSBAJAKZJOK-KBMXLJTQSA-N 2 0 262.397 2.451 10 0 CEAERP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000310954705 540450495 /nfs/dbraw/zinc/45/04/95/540450495.db2.gz ZNDNDPOSKDRLSN-ZIAGYGMSSA-N 2 0 256.434 2.105 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515969 364195636 /nfs/dbraw/zinc/19/56/36/364195636.db2.gz MWMDYRPADANDEL-SOUVJXGZSA-N 2 0 256.434 2.294 10 0 CEAERP COc1cccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)c1 ZINC000094074025 364251202 /nfs/dbraw/zinc/25/12/02/364251202.db2.gz JIPKOEQAZXVCMY-DQPZFDDXSA-N 2 0 291.439 2.157 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838521 367579221 /nfs/dbraw/zinc/57/92/21/367579221.db2.gz PTIOMTIZLHDJPX-RYUDHWBXSA-N 2 0 295.814 2.195 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999116 369032058 /nfs/dbraw/zinc/03/20/58/369032058.db2.gz QFWNDAFDNRUHHV-JSGCOSHPSA-N 2 0 255.365 2.261 10 0 CEAERP Cc1nc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)oc1C ZINC000261623563 371681416 /nfs/dbraw/zinc/68/14/16/371681416.db2.gz DEEIVNBPGHJRLW-CVEARBPZSA-N 2 0 285.391 2.466 10 0 CEAERP Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261637085 371686158 /nfs/dbraw/zinc/68/61/58/371686158.db2.gz WPGWRDRIHJCUAG-IMJJTQAJSA-N 2 0 260.381 2.043 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844835 371748190 /nfs/dbraw/zinc/74/81/90/371748190.db2.gz WBETWCVKQSJNIF-MRVWCRGKSA-N 2 0 282.334 2.457 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CCc2cccnc2)C[C@H]1c1ccccc1 ZINC000261850884 371750360 /nfs/dbraw/zinc/75/03/60/371750360.db2.gz VIFXXXVEDZYBRH-MSOLQXFVSA-N 2 0 281.403 2.298 10 0 CEAERP CC(C)N(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cn1 ZINC000262043100 371808910 /nfs/dbraw/zinc/80/89/10/371808910.db2.gz YPTFEGFGEMUAQW-ARFHVFGLSA-N 2 0 288.439 2.095 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000262707928 371899665 /nfs/dbraw/zinc/89/96/65/371899665.db2.gz NVCRHLRJTYGLLU-GZBFAFLISA-N 2 0 295.427 2.152 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000263234352 371932905 /nfs/dbraw/zinc/93/29/05/371932905.db2.gz NUQSZGDMVBWXHY-BRSBDYLESA-N 2 0 288.435 2.273 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290161 541878582 /nfs/dbraw/zinc/87/85/82/541878582.db2.gz XYGGBXCVMFOZQB-HUUCEWRRSA-N 2 0 283.460 2.003 10 0 CEAERP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1C[NH2+]C1 ZINC000643480610 373147852 /nfs/dbraw/zinc/14/78/52/373147852.db2.gz GPQVXKXYHCEWMV-IAAVTCLWSA-N 2 0 299.462 2.095 10 0 CEAERP C[C@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000377111044 374793272 /nfs/dbraw/zinc/79/32/72/374793272.db2.gz GLYMCFHUNBOISW-VISVQNLJSA-N 2 0 266.429 2.405 10 0 CEAERP C[C@H]1[C@H](N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000307209520 376560860 /nfs/dbraw/zinc/56/08/60/376560860.db2.gz KGLKETYHLXVLFU-MXSMSXNCSA-N 2 0 287.451 2.319 10 0 CEAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098046 376990619 /nfs/dbraw/zinc/99/06/19/376990619.db2.gz JUMWREJQLZLYJX-KHMAMNHCSA-N 2 0 254.418 2.310 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000423109812 377003775 /nfs/dbraw/zinc/00/37/75/377003775.db2.gz UZVSJXHCKAXWLT-AIEDFZFUSA-N 2 0 254.418 2.297 10 0 CEAERP COc1ccc2c(c1)[C@@H]([NH+]1CCC(C[NH3+])CC1)CC2 ZINC000092841410 184630733 /nfs/dbraw/zinc/63/07/33/184630733.db2.gz ATEWXAFHZGLLTC-INIZCTEOSA-N 2 0 260.381 2.353 10 0 CEAERP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000228485486 285317400 /nfs/dbraw/zinc/31/74/00/285317400.db2.gz KCTRRGUONCPMFW-OWCLPIDISA-N 2 0 266.429 2.098 10 0 CEAERP COC(=O)[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000080960842 177740821 /nfs/dbraw/zinc/74/08/21/177740821.db2.gz AVTNZIAKGXAMDQ-CJNGLKHVSA-N 2 0 290.407 2.002 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459280 184804568 /nfs/dbraw/zinc/80/45/68/184804568.db2.gz TWAXCEGCAAWCPG-JONQDZQNSA-N 2 0 265.445 2.076 10 0 CEAERP C[NH2+][C@@H]1[C@H](C[NH+]2CCC(CO)CC2)CCCC1(C)C ZINC000094285959 184776604 /nfs/dbraw/zinc/77/66/04/184776604.db2.gz FLBBWJLYGKULHI-LSDHHAIUSA-N 2 0 268.445 2.105 10 0 CEAERP COc1ccc2c(c1)[C@H]([NH3+])[C@H](SCC[NH+](C)C)CC2 ZINC000095021629 184917011 /nfs/dbraw/zinc/91/70/11/184917011.db2.gz QFUIFUKHVMLTOD-CABCVRRESA-N 2 0 280.437 2.305 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc32)CC1 ZINC000086819232 135048362 /nfs/dbraw/zinc/04/83/62/135048362.db2.gz YCRIONBOVCRCRS-QGZVFWFLSA-N 2 0 273.424 2.252 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000089482841 135059356 /nfs/dbraw/zinc/05/93/56/135059356.db2.gz KPUAGKGHWWZXQR-LSDHHAIUSA-N 2 0 291.414 2.323 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2nc3ccccc3cc2C[NH3+])C1 ZINC000091394093 135068843 /nfs/dbraw/zinc/06/88/43/135068843.db2.gz ONLPPMCWODVQFE-HNNXBMFYSA-N 2 0 284.407 2.224 10 0 CEAERP C[C@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091402375 135068882 /nfs/dbraw/zinc/06/88/82/135068882.db2.gz QPQBSNPPBAUCJG-AWEZNQCLSA-N 2 0 261.413 2.182 10 0 CEAERP CC(C)[NH2+]Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000091432350 135070026 /nfs/dbraw/zinc/07/00/26/135070026.db2.gz VMVNJEMRAWMZHZ-INIZCTEOSA-N 2 0 276.428 2.110 10 0 CEAERP c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc(C[NH2+]C2CC2)n1 ZINC000094443200 135088503 /nfs/dbraw/zinc/08/85/03/135088503.db2.gz UGNICELTUQMBKI-QGZVFWFLSA-N 2 0 286.423 2.008 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000245751203 394504618 /nfs/dbraw/zinc/50/46/18/394504618.db2.gz NVCCLYYLUQENGQ-HZPDHXFCSA-N 2 0 280.456 2.367 10 0 CEAERP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)on1 ZINC000262104058 394613176 /nfs/dbraw/zinc/61/31/76/394613176.db2.gz JHQVOFKICQFPEK-ZBFHGGJFSA-N 2 0 271.364 2.157 10 0 CEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423024289 394883929 /nfs/dbraw/zinc/88/39/29/394883929.db2.gz JBJOXNXGNLIFEB-QTXGHNMQSA-N 2 0 287.451 2.380 10 0 CEAERP CCC(CC)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000153881548 395019347 /nfs/dbraw/zinc/01/93/47/395019347.db2.gz CKSLXPGOBJOGMO-AWEZNQCLSA-N 2 0 270.461 2.447 10 0 CEAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000151332500 394976566 /nfs/dbraw/zinc/97/65/66/394976566.db2.gz LDZDDKXSTWDDMT-HIFRSBDPSA-N 2 0 254.418 2.002 10 0 CEAERP O[C@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000389924205 400539506 /nfs/dbraw/zinc/53/95/06/400539506.db2.gz GYWLMZQFIMAJOQ-CYBMUJFWSA-N 2 0 276.371 2.001 10 0 CEAERP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000263159817 154028456 /nfs/dbraw/zinc/02/84/56/154028456.db2.gz DSQBHXJIMJNLDS-HOCLYGCPSA-N 2 0 288.416 2.085 10 0 CEAERP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365702 171164179 /nfs/dbraw/zinc/16/41/79/171164179.db2.gz VUWZAAHNYOJDQW-GJZGRUSLSA-N 2 0 285.476 2.343 10 0 CEAERP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022155010 171362006 /nfs/dbraw/zinc/36/20/06/171362006.db2.gz JVEOCAVKCFKMOW-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022162866 171364771 /nfs/dbraw/zinc/36/47/71/171364771.db2.gz GLEVYRFUIXWVBM-KRWDZBQOSA-N 2 0 275.440 2.331 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022221102 171377945 /nfs/dbraw/zinc/37/79/45/171377945.db2.gz VUZQHEHNAGRSRB-MCIONIFRSA-N 2 0 289.423 2.450 10 0 CEAERP CC(C)C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221706 173041612 /nfs/dbraw/zinc/04/16/12/173041612.db2.gz XAWYRTURERWXRS-ARFHVFGLSA-N 2 0 269.477 2.283 10 0 CEAERP [NH3+]C1CCN([C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000037325912 173126406 /nfs/dbraw/zinc/12/64/06/173126406.db2.gz HBPHSUKGFDWWGT-KRWDZBQOSA-N 2 0 273.424 2.074 10 0 CEAERP FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000038041263 174042412 /nfs/dbraw/zinc/04/24/12/174042412.db2.gz KPRMOJJSWGHKIU-WDEREUQCSA-N 2 0 250.308 2.449 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622551 174355865 /nfs/dbraw/zinc/35/58/65/174355865.db2.gz IBKRBCNHYOZGPP-GJZGRUSLSA-N 3 0 267.461 2.037 10 0 CEAERP CC[C@H](CC[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693639 174377442 /nfs/dbraw/zinc/37/74/42/174377442.db2.gz AHNCZEAGRZHLTI-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@@H]1CC[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717012 174384695 /nfs/dbraw/zinc/38/46/95/174384695.db2.gz AWZRXPBFHNFWSJ-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP COc1cccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1OC ZINC000040749348 174394099 /nfs/dbraw/zinc/39/40/99/174394099.db2.gz OLLLFABTBOXTDK-AGUYFDCRSA-N 2 0 276.380 2.158 10 0 CEAERP CC[NH+](CC)CCNC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000041709405 174611963 /nfs/dbraw/zinc/61/19/63/174611963.db2.gz MMTPOZYVRCUJDZ-CYBMUJFWSA-N 2 0 292.427 2.430 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](C(C)C)CC2)cc1 ZINC000042908630 174909048 /nfs/dbraw/zinc/90/90/48/174909048.db2.gz NRMPADJIJXKSOC-WBVHZDCISA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340031 175013611 /nfs/dbraw/zinc/01/36/11/175013611.db2.gz UYGQAYURGMTQDQ-GDBMZVCRSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](CC)CC1 ZINC000043354754 175021972 /nfs/dbraw/zinc/02/19/72/175021972.db2.gz OBVUWVHZCQQUSC-IAGOWNOFSA-N 2 0 290.455 2.276 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815197 175111678 /nfs/dbraw/zinc/11/16/78/175111678.db2.gz SCWLORNUSLFJRL-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000043897061 175119959 /nfs/dbraw/zinc/11/99/59/175119959.db2.gz RHOMWHRAHDEQPB-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897424 175120754 /nfs/dbraw/zinc/12/07/54/175120754.db2.gz CBFGSPHDYQTUBD-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965636 175127299 /nfs/dbraw/zinc/12/72/99/175127299.db2.gz OSOMBHYYHPWJAT-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043968004 175129008 /nfs/dbraw/zinc/12/90/08/175129008.db2.gz HHVJYKACMUUOAO-ZBFHGGJFSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967623 175129019 /nfs/dbraw/zinc/12/90/19/175129019.db2.gz SWIPXXARLGGXLM-QZTJIDSGSA-N 2 0 285.435 2.042 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967925 175129096 /nfs/dbraw/zinc/12/90/96/175129096.db2.gz VLFWGSKJUYIYDX-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967927 175129098 /nfs/dbraw/zinc/12/90/98/175129098.db2.gz VLFWGSKJUYIYDX-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H](C)C[NH+]1CCCC1 ZINC000044805771 175256450 /nfs/dbraw/zinc/25/64/50/175256450.db2.gz SHRZRDCPARVPTF-CQSZACIVSA-N 2 0 283.460 2.132 10 0 CEAERP CCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000045072520 175302218 /nfs/dbraw/zinc/30/22/18/175302218.db2.gz VEVCXTLGVNRXGK-LSDHHAIUSA-N 2 0 283.460 2.003 10 0 CEAERP CCC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135378 175313041 /nfs/dbraw/zinc/31/30/41/175313041.db2.gz QGPIGGJCLXBGMQ-YESZJQIVSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376098 175366226 /nfs/dbraw/zinc/36/62/26/175366226.db2.gz OFXWXHQZFFCSRX-HOCLYGCPSA-N 2 0 283.460 2.273 10 0 CEAERP C[C@@](CCCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045377484 175366814 /nfs/dbraw/zinc/36/68/14/175366814.db2.gz PAAXMCBRUGWUBA-INIZCTEOSA-N 2 0 281.444 2.029 10 0 CEAERP C[C@](CCCC[NH+]1CCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045377482 175367201 /nfs/dbraw/zinc/36/72/01/175367201.db2.gz PAAXMCBRUGWUBA-MRXNPFEDSA-N 2 0 281.444 2.029 10 0 CEAERP CCC[NH+](CCC)CCCC[C@](C)([NH2+]C1CC1)C(N)=O ZINC000045378559 175367358 /nfs/dbraw/zinc/36/73/58/175367358.db2.gz QKIUDAQHWDZRAX-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP C[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384754 175372148 /nfs/dbraw/zinc/37/21/48/175372148.db2.gz NIQTXPJRSNADGU-MRXNPFEDSA-N 2 0 281.444 2.027 10 0 CEAERP CCC[N@H+](CC)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045386965 175372593 /nfs/dbraw/zinc/37/25/93/175372593.db2.gz FKMQOKQLQIXMBT-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CC(C)[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C1CC1)C(N)=O ZINC000045392909 175375352 /nfs/dbraw/zinc/37/53/52/175375352.db2.gz MXUHGVSZWVHJDI-XJKSGUPXSA-N 2 0 283.460 2.129 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045420981 175379889 /nfs/dbraw/zinc/37/98/89/175379889.db2.gz YWSIZUZCZRPKFG-WFASDCNBSA-N 2 0 272.433 2.414 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421033 175380323 /nfs/dbraw/zinc/38/03/23/175380323.db2.gz IXFCDXPGYPBKRC-BBRMVZONSA-N 2 0 285.476 2.377 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123777 176034893 /nfs/dbraw/zinc/03/48/93/176034893.db2.gz KRIPWZWFVRIPQK-QLFBSQMISA-N 2 0 254.418 2.395 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188551 176063176 /nfs/dbraw/zinc/06/31/76/176063176.db2.gz SJGLPAXJFNEULY-HUUCEWRRSA-N 2 0 255.450 2.024 10 0 CEAERP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191354 176070312 /nfs/dbraw/zinc/07/03/12/176070312.db2.gz PBDHWKAKUKZPRA-WBVHZDCISA-N 2 0 275.440 2.221 10 0 CEAERP Cc1ccccc1NCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192360 176073376 /nfs/dbraw/zinc/07/33/76/176073376.db2.gz WMAQCDQDBCDAGL-OAHLLOKOSA-N 2 0 261.413 2.290 10 0 CEAERP CC[NH+](CC)[C@H](CN1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000071197854 176076509 /nfs/dbraw/zinc/07/65/09/176076509.db2.gz UOVMGAQVQROLGT-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(C2CC[NH+](CCC)CC2)C1 ZINC000071201396 176078333 /nfs/dbraw/zinc/07/83/33/176078333.db2.gz WEWGCYVIZSQZFG-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1ncsc1C[NH2+]C[C@@H](C[NH3+])c1ccccc1 ZINC000071213746 176085343 /nfs/dbraw/zinc/08/53/43/176085343.db2.gz ZFQBLPIIUCSLLI-CYBMUJFWSA-N 2 0 261.394 2.284 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268596 176102299 /nfs/dbraw/zinc/10/22/99/176102299.db2.gz IBKNHTYMVMZUOD-CYBMUJFWSA-N 2 0 261.344 2.451 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)C1CCN(C)CC1 ZINC000071287363 176110040 /nfs/dbraw/zinc/11/00/40/176110040.db2.gz NUKAEBMLVXBWEK-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[NH+]1CCC(OCCCCCC[NH2+]C2CC2)CC1 ZINC000071290400 176110431 /nfs/dbraw/zinc/11/04/31/176110431.db2.gz KZJFIFVJDSGDCX-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CCCC[NH+](C)C ZINC000071293990 176111812 /nfs/dbraw/zinc/11/18/12/176111812.db2.gz OOAPXSXEDBOHOW-UHFFFAOYSA-N 2 0 258.406 2.041 10 0 CEAERP CCC[NH2+]C[C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377491 176143107 /nfs/dbraw/zinc/14/31/07/176143107.db2.gz UIRCITWPDQLHTE-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)C1CCCC1 ZINC000071379322 176143721 /nfs/dbraw/zinc/14/37/21/176143721.db2.gz UOPKTPCVGLOKAB-VHRNVKJDSA-N 2 0 265.445 2.076 10 0 CEAERP COCC[N@H+](CCC[C@H]([NH3+])c1ccccc1)[C@@H](C)COC ZINC000071401923 176153941 /nfs/dbraw/zinc/15/39/41/176153941.db2.gz SSAZUEUGTIZMEJ-RDJZCZTQSA-N 2 0 294.439 2.450 10 0 CEAERP Cc1nc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)CC2)sc1C ZINC000072150557 176326388 /nfs/dbraw/zinc/32/63/88/176326388.db2.gz VLRCIJAKBMEGMI-OAHLLOKOSA-N 2 0 297.468 2.039 10 0 CEAERP CN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1CC[NH+](C)CC1 ZINC000079288660 177464353 /nfs/dbraw/zinc/46/43/53/177464353.db2.gz MAERPJLRNBADQI-CQSZACIVSA-N 2 0 297.487 2.330 10 0 CEAERP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859028 260220208 /nfs/dbraw/zinc/22/02/08/260220208.db2.gz PDGCXWOUPDNNON-SJLPKXTDSA-N 2 0 289.467 2.486 10 0 CEAERP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859029 260220376 /nfs/dbraw/zinc/22/03/76/260220376.db2.gz PDGCXWOUPDNNON-WMZOPIPTSA-N 2 0 289.467 2.486 10 0 CEAERP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000423098041 270835231 /nfs/dbraw/zinc/83/52/31/270835231.db2.gz JUMWREJQLZLYJX-AICCOOGYSA-N 2 0 254.418 2.310 10 0 CEAERP CCC1(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000261580746 275964014 /nfs/dbraw/zinc/96/40/14/275964014.db2.gz QECUJZRLLAGVOF-KGLIPLIRSA-N 2 0 254.418 2.300 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343583145 276151086 /nfs/dbraw/zinc/15/10/86/276151086.db2.gz AOFQNBYHWVJCRF-BTTYYORXSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246218260 280094282 /nfs/dbraw/zinc/09/42/82/280094282.db2.gz LBBPPFBSUQMDCR-KGLIPLIRSA-N 2 0 256.434 2.057 10 0 CEAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000324960485 280602598 /nfs/dbraw/zinc/60/25/98/280602598.db2.gz JXKMYLQAHMKDCR-HUUCEWRRSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249414488 288313941 /nfs/dbraw/zinc/31/39/41/288313941.db2.gz VUQHUMOJCYTUIX-CVEARBPZSA-N 2 0 265.445 2.031 10 0 CEAERP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000516173842 313083234 /nfs/dbraw/zinc/08/32/34/313083234.db2.gz DJIALPWICLANIG-VQHPVUNQSA-N 2 0 281.488 2.475 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654638 519721090 /nfs/dbraw/zinc/72/10/90/519721090.db2.gz CHYHGOCXSKDGKO-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763379 519719977 /nfs/dbraw/zinc/71/99/77/519719977.db2.gz UOKWBVQLTMDXIU-CQSZACIVSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH2+]C[C@@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053011491 519950708 /nfs/dbraw/zinc/95/07/08/519950708.db2.gz FJVKLBFPKBOHHG-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425069 519981595 /nfs/dbraw/zinc/98/15/95/519981595.db2.gz NPYUDUFKWLOKIX-HUUCEWRRSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]Cc1coc(C[N@@H+]2CCCSCC2)c1 ZINC000052371105 520019112 /nfs/dbraw/zinc/01/91/12/520019112.db2.gz OKXZRFJXLFKXCL-UHFFFAOYSA-N 2 0 254.399 2.328 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062979089 520064192 /nfs/dbraw/zinc/06/41/92/520064192.db2.gz XHAFQPCQWJHEOM-KFWWJZLASA-N 2 0 255.450 2.179 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1cccc(F)c1 ZINC000062740790 520516251 /nfs/dbraw/zinc/51/62/51/520516251.db2.gz WILKPMCBCGOLMK-AWEZNQCLSA-N 2 0 254.349 2.011 10 0 CEAERP CC[NH+](CC)CCOC[C@H]1CC[C@@H](C[NH2+]CC(C)C)O1 ZINC000052672045 520693347 /nfs/dbraw/zinc/69/33/47/520693347.db2.gz TYOKBPYEYZJMQC-JKSUJKDBSA-N 2 0 286.460 2.138 10 0 CEAERP CCCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH3+] ZINC000061655583 521533004 /nfs/dbraw/zinc/53/30/04/521533004.db2.gz FVYCHUBTSSLFRV-LLVKDONJSA-N 2 0 282.457 2.085 10 0 CEAERP CC[NH+]1CCC(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000052206130 521551395 /nfs/dbraw/zinc/55/13/95/521551395.db2.gz REAILHNZAGDYNI-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)C[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454185 521971406 /nfs/dbraw/zinc/97/14/06/521971406.db2.gz ZNCMSTKYJJGJIM-CYBMUJFWSA-N 2 0 281.448 2.144 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)C2CC2)o1 ZINC000052545340 522118155 /nfs/dbraw/zinc/11/81/55/522118155.db2.gz PVTSQZYSKOZVKR-GFCCVEGCSA-N 2 0 266.385 2.246 10 0 CEAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031691 518397008 /nfs/dbraw/zinc/39/70/08/518397008.db2.gz HAEYIALUVOLXJE-KRWDZBQOSA-N 3 0 279.472 2.326 10 0 CEAERP CC(C)(C)C1CC[NH+](Cc2cc(C[NH3+])no2)CC1 ZINC000052373628 518607310 /nfs/dbraw/zinc/60/73/10/518607310.db2.gz CYAGVPGZAIORDH-UHFFFAOYSA-N 2 0 251.374 2.391 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CO)CCOCC1 ZINC000052183601 518752791 /nfs/dbraw/zinc/75/27/91/518752791.db2.gz MEZABOOBXPDZEH-HNNXBMFYSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)C1CCC([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000054556000 519567676 /nfs/dbraw/zinc/56/76/76/519567676.db2.gz CUEGOCWNRHEYKM-UHFFFAOYSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973149 519724417 /nfs/dbraw/zinc/72/44/17/519724417.db2.gz KQEODUQCWKXJJR-JKSUJKDBSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055076040 519725917 /nfs/dbraw/zinc/72/59/17/519725917.db2.gz FPDQEXNKHDQDDR-UHFFFAOYSA-N 2 0 267.461 2.040 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654491 519726978 /nfs/dbraw/zinc/72/69/78/519726978.db2.gz MWGLSDRTIVAYTJ-CQSZACIVSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625179 519727794 /nfs/dbraw/zinc/72/77/94/519727794.db2.gz QWCYLRCLURDIQL-SFHVURJKSA-N 2 0 289.467 2.220 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055078470 519728179 /nfs/dbraw/zinc/72/81/79/519728179.db2.gz ILAQWEGIFDCBLW-JKSUJKDBSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)C2CCCCCC2)nn1 ZINC000052482066 519728552 /nfs/dbraw/zinc/72/85/52/519728552.db2.gz BOMBWWYNGCXKMU-UHFFFAOYSA-N 2 0 293.459 2.431 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907416 519728750 /nfs/dbraw/zinc/72/87/50/519728750.db2.gz IRCQWPCWWGIEEV-UHFFFAOYSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540109 519743194 /nfs/dbraw/zinc/74/31/94/519743194.db2.gz GLKAKDZZRSXVKD-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654659 519743341 /nfs/dbraw/zinc/74/33/41/519743341.db2.gz JYMUSLVPWKDAHA-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571724 519744226 /nfs/dbraw/zinc/74/42/26/519744226.db2.gz QPQFRAWUOFDQPQ-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372387 519745588 /nfs/dbraw/zinc/74/55/88/519745588.db2.gz YISAZPFJNSPGAB-QGZVFWFLSA-N 2 0 281.488 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)CCc1ccncc1 ZINC000052483067 519745895 /nfs/dbraw/zinc/74/58/95/519745895.db2.gz ZUVQJTSZVXKFQW-HNNXBMFYSA-N 2 0 263.429 2.438 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507669 519746054 /nfs/dbraw/zinc/74/60/54/519746054.db2.gz DJFNAIBBOZQNMP-IKGGRYGDSA-N 2 0 298.471 2.281 10 0 CEAERP CCC[NH+]1CCC(NC2=[NH+][C@H](CC)CS2)CC1 ZINC000049559140 519846385 /nfs/dbraw/zinc/84/63/85/519846385.db2.gz AMNOVWNYLPUREZ-LLVKDONJSA-N 2 0 255.431 2.332 10 0 CEAERP CCC1CC[NH+](CCCC[C@@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045428351 519859034 /nfs/dbraw/zinc/85/90/34/519859034.db2.gz YPEJKBOAZRXQLG-QGZVFWFLSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810772 519859639 /nfs/dbraw/zinc/85/96/39/519859639.db2.gz WIVRCMWVKAYTCM-HNNXBMFYSA-N 2 0 287.407 2.460 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)[C@H]([NH2+]C)CCC3)CC1 ZINC000054899175 519860495 /nfs/dbraw/zinc/86/04/95/519860495.db2.gz UCNCBDBSDIIASX-GFCCVEGCSA-N 2 0 294.468 2.272 10 0 CEAERP CCCC1(C[NH+]2CCN(C(C)C)CC2)CC[NH2+]CC1 ZINC000062850718 519889003 /nfs/dbraw/zinc/88/90/03/519889003.db2.gz NVGPJOMWKOAJTO-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CCCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052374059 519901976 /nfs/dbraw/zinc/90/19/76/519901976.db2.gz CPFSXAJREIALTA-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054602322 519910199 /nfs/dbraw/zinc/91/01/99/519910199.db2.gz JBVRJNALTXSJPD-BMRXWSCTSA-N 2 0 266.429 2.285 10 0 CEAERP CCC[NH2+]CCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000052477753 519911908 /nfs/dbraw/zinc/91/19/08/519911908.db2.gz WGAHSYWKSIQAAK-UHFFFAOYSA-N 3 0 255.450 2.182 10 0 CEAERP CCC[NH2+]CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074534 519912348 /nfs/dbraw/zinc/91/23/48/519912348.db2.gz USBHYKUNSISRSQ-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074852 519918400 /nfs/dbraw/zinc/91/84/00/519918400.db2.gz TZRZAYRFJRNWDQ-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCC[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074331 519920343 /nfs/dbraw/zinc/92/03/43/519920343.db2.gz UVTPABQZARKEDQ-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417082 519920409 /nfs/dbraw/zinc/92/04/09/519920409.db2.gz STLCCSPXRQLIHT-MRXNPFEDSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+]Cc1ccc(COCCC[NH+](C)C)o1 ZINC000052672361 519950954 /nfs/dbraw/zinc/95/09/54/519950954.db2.gz NNHZWMWMAVBVCY-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419164 519955117 /nfs/dbraw/zinc/95/51/17/519955117.db2.gz LTSVUODGFRJQGT-DLBZAZTESA-N 2 0 274.408 2.202 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654199 519956607 /nfs/dbraw/zinc/95/66/07/519956607.db2.gz HQUPVRNXNOXZNS-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP CCC[NH2+]Cc1nc(COCCC[NH+](C)C)cs1 ZINC000052672148 519968047 /nfs/dbraw/zinc/96/80/47/519968047.db2.gz LIWVGTBTEDPTIO-UHFFFAOYSA-N 2 0 271.430 2.111 10 0 CEAERP CC[NH2+]Cc1cccc(COCCC[NH+](C)C)c1 ZINC000052672308 520003269 /nfs/dbraw/zinc/00/32/69/520003269.db2.gz JFLTVOLPWCILRJ-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CCC[NH2+][C@@H]1COc2cc(OCC[NH+](C)C)ccc21 ZINC000062805211 520026661 /nfs/dbraw/zinc/02/66/61/520026661.db2.gz NYAWLGSJZKBEFD-CQSZACIVSA-N 2 0 264.369 2.060 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](CC)CCOC)cc1C ZINC000052542836 520028402 /nfs/dbraw/zinc/02/84/02/520028402.db2.gz ZUJKDBYZWFDPPP-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903694 520080113 /nfs/dbraw/zinc/08/01/13/520080113.db2.gz ZFNUGNZVXIOBDV-LBPRGKRZSA-N 2 0 282.457 2.344 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554619 520096081 /nfs/dbraw/zinc/09/60/81/520096081.db2.gz SRXYXIRGLBNXCD-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074021 520098459 /nfs/dbraw/zinc/09/84/59/520098459.db2.gz VICSSWHTVUTUCW-KRWDZBQOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1CN(C)C1CC[NH+](CC)CC1 ZINC000053875449 520118364 /nfs/dbraw/zinc/11/83/64/520118364.db2.gz YTKKWDDGLAJECQ-GDBMZVCRSA-N 2 0 267.461 2.181 10 0 CEAERP CCCCC[N@H+](CCN1CCC[NH2+]CC1)C(C)C ZINC000061275514 520167242 /nfs/dbraw/zinc/16/72/42/520167242.db2.gz GJYRQWBYWXSFIK-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[C@H]([NH+](CC)CC)C1 ZINC000062970328 520214411 /nfs/dbraw/zinc/21/44/11/520214411.db2.gz YRHRWDAFQLGFMJ-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964939 520214706 /nfs/dbraw/zinc/21/47/06/520214706.db2.gz NQFXFZPJHJZDKG-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](Cc1ccccc1)C1CC1 ZINC000062740908 520516828 /nfs/dbraw/zinc/51/68/28/520516828.db2.gz LVUBDVOZTPOBOI-INIZCTEOSA-N 2 0 262.397 2.405 10 0 CEAERP CCO[C@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953650 520526287 /nfs/dbraw/zinc/52/62/87/520526287.db2.gz CFSJDDGBUWQNDE-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CCCC[N@H+](CCn1cc(C[NH2+]CC)nn1)[C@H](C)CC ZINC000052372710 520540355 /nfs/dbraw/zinc/54/03/55/520540355.db2.gz XBURUOCFSMQMHF-CQSZACIVSA-N 2 0 281.448 2.288 10 0 CEAERP CC[NH+](CC)CCOC[C@H]1CC[C@H](C[NH2+]CC(C)C)O1 ZINC000052672041 520694610 /nfs/dbraw/zinc/69/46/10/520694610.db2.gz TYOKBPYEYZJMQC-HZPDHXFCSA-N 2 0 286.460 2.138 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]C2CC2)c(C)n1 ZINC000054854372 520712370 /nfs/dbraw/zinc/71/23/70/520712370.db2.gz VNTHVSXCNSHVAB-UHFFFAOYSA-N 2 0 276.428 2.230 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653436 520910551 /nfs/dbraw/zinc/91/05/51/520910551.db2.gz ABYBQSBUBDNBQI-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CC1CCC([N@H+](C)CC2(C[NH3+])CCOCC2)CC1 ZINC000052197775 520935436 /nfs/dbraw/zinc/93/54/36/520935436.db2.gz POXBTUPUGPAUIO-UHFFFAOYSA-N 2 0 254.418 2.252 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000069379700 521119866 /nfs/dbraw/zinc/11/98/66/521119866.db2.gz UFFDLRVBKQJBNI-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CCC[C@@H]1C[NH+](C)C ZINC000061643652 521155418 /nfs/dbraw/zinc/15/54/18/521155418.db2.gz DCUIFQVOCFOCJH-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643453 521211633 /nfs/dbraw/zinc/21/16/33/521211633.db2.gz NRPMUHVPTBLTQJ-ZJIFWQFVSA-N 2 0 267.461 2.309 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)CC1CC1 ZINC000069239634 521324962 /nfs/dbraw/zinc/32/49/62/521324962.db2.gz PLKIWAKNMPXSJD-OAHLLOKOSA-N 2 0 270.417 2.169 10 0 CEAERP CCC(CC)C[N@H+](CC)CCN1CCC[NH2+]CC1 ZINC000061275326 521519538 /nfs/dbraw/zinc/51/95/38/521519538.db2.gz SLOIOSWOOWQKMO-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCOC1CC[NH+](CCOc2ccccc2C[NH2+]C)CC1 ZINC000052484020 521655635 /nfs/dbraw/zinc/65/56/35/521655635.db2.gz IWSDVLOXIHWAJT-UHFFFAOYSA-N 2 0 292.423 2.286 10 0 CEAERP CCOC1CC[NH+](CC2(C[NH2+]C(C)C)CCOCC2)CC1 ZINC000052182171 521656169 /nfs/dbraw/zinc/65/61/69/521656169.db2.gz DYSFBOYZDPWOSS-UHFFFAOYSA-N 2 0 298.471 2.282 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000053875617 521657021 /nfs/dbraw/zinc/65/70/21/521657021.db2.gz VIRBHKZZUMPMSC-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[N@H+](CCOc1ccccc1C[NH2+]C)CCN(C)C ZINC000052544202 521669197 /nfs/dbraw/zinc/66/91/97/521669197.db2.gz GSVQCRBIBROEIW-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP C[NH2+]C[C@H](C(C)C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484143 522063095 /nfs/dbraw/zinc/06/30/95/522063095.db2.gz VYEZNWIEZNPPBK-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000055083578 522119419 /nfs/dbraw/zinc/11/94/19/522119419.db2.gz BIPAQGZWGAYNRZ-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065303 522129907 /nfs/dbraw/zinc/12/99/07/522129907.db2.gz FMTIIXVSXBTDMH-OLMNPRSZSA-N 2 0 287.451 2.417 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063890 522132417 /nfs/dbraw/zinc/13/24/17/522132417.db2.gz HEGCSDMUIRIOSP-CZUORRHYSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000055076300 522137089 /nfs/dbraw/zinc/13/70/89/522137089.db2.gz SMUWEPFHQIVNQF-VXGBXAGGSA-N 2 0 294.468 2.400 10 0 CEAERP C[NH2+]Cc1occc1C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545357 522163951 /nfs/dbraw/zinc/16/39/51/522163951.db2.gz AFXIOWTXPAGODW-LBPRGKRZSA-N 2 0 266.385 2.246 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074667 522194972 /nfs/dbraw/zinc/19/49/72/522194972.db2.gz ZVWDQKRIMWQRQJ-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H](CCN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061653625 522346150 /nfs/dbraw/zinc/34/61/50/522346150.db2.gz BTYOWALJDMKJET-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977433 522346515 /nfs/dbraw/zinc/34/65/15/522346515.db2.gz XFENYHUOQLDIRG-ULQDDVLXSA-N 2 0 288.439 2.030 10 0 CEAERP C[NH2+][C@H](C)c1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C ZINC000054905543 522457051 /nfs/dbraw/zinc/45/70/51/522457051.db2.gz JABHQFCURDYMDF-ZYHUDNBSSA-N 2 0 282.457 2.262 10 0 CEAERP CN(CC[NH+]1CCCC1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000063052102 522832413 /nfs/dbraw/zinc/83/24/13/522832413.db2.gz DURCCKNWZJBHIZ-UHFFFAOYSA-N 2 0 280.803 2.156 10 0 CEAERP C[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507655 523078498 /nfs/dbraw/zinc/07/84/98/523078498.db2.gz FEAUUUNIHFHZHQ-JYJNAYRXSA-N 2 0 298.471 2.423 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953206 523505100 /nfs/dbraw/zinc/50/51/00/523505100.db2.gz NBHXCDPBQPSZEG-SOUVJXGZSA-N 2 0 254.418 2.408 10 0 CEAERP CN([C@@H](C[NH3+])c1cc2ccccc2o1)[C@@H]1CCC[N@H+](C)C1 ZINC000068811925 523623970 /nfs/dbraw/zinc/62/39/70/523623970.db2.gz JZFMISXGHCQNSS-CABCVRRESA-N 2 0 287.407 2.459 10 0 CEAERP C[NH+]1CCC(OC[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052596893 523781308 /nfs/dbraw/zinc/78/13/08/523781308.db2.gz IQNQWGRDMLZZDA-CABCVRRESA-N 2 0 284.444 2.033 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000052205680 523793879 /nfs/dbraw/zinc/79/38/79/523793879.db2.gz DDPUJIVFCIEVQG-CVEARBPZSA-N 2 0 274.408 2.454 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH3+])c(C)o1 ZINC000052547304 523939390 /nfs/dbraw/zinc/93/93/90/523939390.db2.gz MIMTXQYDRJOPTJ-NSHDSACASA-N 2 0 254.374 2.294 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055075434 523953557 /nfs/dbraw/zinc/95/35/57/523953557.db2.gz OPFPVGFVOIYQPG-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000055075360 523954057 /nfs/dbraw/zinc/95/40/57/523954057.db2.gz MNLXEXRDVSDMIU-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055067285 523958129 /nfs/dbraw/zinc/95/81/29/523958129.db2.gz HZIQAZLCTBPWNC-HOCLYGCPSA-N 2 0 288.439 2.470 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267071 523958538 /nfs/dbraw/zinc/95/85/38/523958538.db2.gz NSTGGXBEHTYUFT-WMLDXEAASA-N 2 0 273.424 2.247 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074953 523959197 /nfs/dbraw/zinc/95/91/97/523959197.db2.gz SWXZGTLUYTZEHK-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2ccoc2C[NH2+]C2CC2)CC1 ZINC000052515326 524049831 /nfs/dbraw/zinc/04/98/31/524049831.db2.gz AESRDZRLSUZYCK-UHFFFAOYSA-N 3 0 291.439 2.305 10 0 CEAERP C[NH+](C)CC1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788908 524050490 /nfs/dbraw/zinc/05/04/90/524050490.db2.gz JDEFWYFIAGMZSC-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000052570398 524139474 /nfs/dbraw/zinc/13/94/74/524139474.db2.gz HLSIYNCLUXMANE-CYBMUJFWSA-N 2 0 266.433 2.409 10 0 CEAERP COc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642040 524169096 /nfs/dbraw/zinc/16/90/96/524169096.db2.gz NMFKXYMJRLCCNN-UNEWFSDZSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H]1CCC[C@H]([N@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182634 524201936 /nfs/dbraw/zinc/20/19/36/524201936.db2.gz JPQVVSWRCYRLJK-KBPBESRZSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571579 524478978 /nfs/dbraw/zinc/47/89/78/524478978.db2.gz UCNNTOGYMIOKKW-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N1CCC([NH+](C)C)CC1 ZINC000053491242 524489378 /nfs/dbraw/zinc/48/93/78/524489378.db2.gz YHSFTZRRCIYJMB-CYBMUJFWSA-N 2 0 281.469 2.252 10 0 CEAERP C[C@@H](CC[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484250 524498938 /nfs/dbraw/zinc/49/89/38/524498938.db2.gz NUZJYKUDDAVDLC-HNNXBMFYSA-N 2 0 279.472 2.467 10 0 CEAERP Cc1cc(CN2CCC[N@H+](C)CC2)oc1C[NH2+]CC(C)C ZINC000052424487 524680175 /nfs/dbraw/zinc/68/01/75/524680175.db2.gz OIMJUDGJYFRNPV-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562079 524866615 /nfs/dbraw/zinc/86/66/15/524866615.db2.gz XPEISTXHKGJVTR-RYUDHWBXSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642228 525366266 /nfs/dbraw/zinc/36/62/66/525366266.db2.gz BPZVRSRIWQKQPY-GDBMZVCRSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655215 525857611 /nfs/dbraw/zinc/85/76/11/525857611.db2.gz JYTADJITWAXZAN-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)c(C)c1 ZINC000063051332 525951658 /nfs/dbraw/zinc/95/16/58/525951658.db2.gz AGWFHLSUABTVSR-KRWDZBQOSA-N 2 0 275.440 2.331 10 0 CEAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655239 526258204 /nfs/dbraw/zinc/25/82/04/526258204.db2.gz HLYKZQWPKJZXNO-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP Cc1nc(N2CCC(C[NH+](C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000054897107 526962991 /nfs/dbraw/zinc/96/29/91/526962991.db2.gz MLVFQXKZVNYPCD-SNVBAGLBSA-N 2 0 282.457 2.249 10 0 CEAERP Cc1nc(N2CCC([NH+](C)C)CC2)sc1C[NH2+]C(C)C ZINC000054997452 526963100 /nfs/dbraw/zinc/96/31/00/526963100.db2.gz HPUKFKMCWBCZCK-UHFFFAOYSA-N 2 0 296.484 2.480 10 0 CEAERP [NH3+]C[C@H](c1ccoc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000063047766 527230373 /nfs/dbraw/zinc/23/03/73/527230373.db2.gz QODBVTJMMWKMSG-MRXNPFEDSA-N 2 0 277.412 2.230 10 0 CEAERP [NH3+]Cc1ccc(F)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000069401540 527254662 /nfs/dbraw/zinc/25/46/62/527254662.db2.gz FYFHTOXTIJMPLK-UHFFFAOYSA-N 2 0 288.366 2.279 10 0 CEAERP NNc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718696 527274704 /nfs/dbraw/zinc/27/47/04/527274704.db2.gz OQEXLVQJJIFYJD-HNNXBMFYSA-N 2 0 268.364 2.357 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193641800 528054741 /nfs/dbraw/zinc/05/47/41/528054741.db2.gz DCFLBRIQWHPRJG-LSDHHAIUSA-N 2 0 283.460 2.145 10 0 CEAERP CC[NH+]1CCC2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757146006 574510377 /nfs/dbraw/zinc/51/03/77/574510377.db2.gz JEGJGRLTWSQGBQ-UHFFFAOYSA-N 2 0 252.402 2.369 10 0 CEAERP Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc(N)cc(C)[nH+]3)C2)c1 ZINC000892219383 624428761 /nfs/dbraw/zinc/42/87/61/624428761.db2.gz OQFQENQALVYLPV-ZDUSSCGKSA-N 2 0 298.394 2.009 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553163 628936656 /nfs/dbraw/zinc/93/66/56/628936656.db2.gz SESSNRWAFOAXPJ-YTQUADARSA-N 2 0 299.462 2.239 10 0 CEAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC000261557316 628937853 /nfs/dbraw/zinc/93/78/53/628937853.db2.gz CNCHXRSRWVLMAY-APIJFGDWSA-N 2 0 252.402 2.018 10 0 CEAERP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000121114710 365524850 /nfs/dbraw/zinc/52/48/50/365524850.db2.gz FNXCJRVLJRHQLI-AWEZNQCLSA-N 2 0 294.439 2.367 10 0 CEAERP C[NH+](C)CC[C@H]([NH3+])Cc1ccccc1Br ZINC000096944855 185135030 /nfs/dbraw/zinc/13/50/30/185135030.db2.gz DXOLGJFIFDHEMP-NSHDSACASA-N 2 0 271.202 2.271 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)n1cncc1CC[NH3+] ZINC000097009311 185152086 /nfs/dbraw/zinc/15/20/86/185152086.db2.gz UHFRNXGFGRNNHL-CYBMUJFWSA-N 2 0 252.406 2.067 10 0 CEAERP CC(C)[NH2+]CC[C@@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725270311 539215192 /nfs/dbraw/zinc/21/51/92/539215192.db2.gz GAJPSAMEGIUVFH-SNVBAGLBSA-N 2 0 260.303 2.362 10 0 CEAERP Cc1cc(N2CCO[C@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000228375067 539338729 /nfs/dbraw/zinc/33/87/29/539338729.db2.gz SIINFYDKINVCAI-LRDDRELGSA-N 2 0 271.364 2.096 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCS1 ZINC000137208309 344387356 /nfs/dbraw/zinc/38/73/56/344387356.db2.gz FVLDTWKDLVZZLW-LBPRGKRZSA-N 2 0 262.422 2.270 10 0 CEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262301012 344654450 /nfs/dbraw/zinc/65/44/50/344654450.db2.gz QGHBDINKMQPYME-ARFHVFGLSA-N 2 0 295.471 2.275 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085361423 179032980 /nfs/dbraw/zinc/03/29/80/179032980.db2.gz MQTWVHZJTAFXJU-CABCVRRESA-N 2 0 275.396 2.204 10 0 CEAERP c1cnn(CC[N@@H+]2CCCCC[C@H]2C2CC[NH2+]CC2)c1 ZINC000085403702 179053101 /nfs/dbraw/zinc/05/31/01/179053101.db2.gz ASQWGLXKKLOZKV-INIZCTEOSA-N 2 0 276.428 2.127 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)n1cnc2c1CC[NH2+]C2 ZINC000085567026 179095371 /nfs/dbraw/zinc/09/53/71/179095371.db2.gz PMLYJFHYDVNJHU-ZDUSSCGKSA-N 2 0 264.417 2.212 10 0 CEAERP CCC1(CC)C[N@H+](CCn2ccnc2C)[C@@H](C)CC[NH2+]1 ZINC000085627894 179106949 /nfs/dbraw/zinc/10/69/49/179106949.db2.gz DHOJNHJAWUHRAV-AWEZNQCLSA-N 2 0 278.444 2.434 10 0 CEAERP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624329 179107004 /nfs/dbraw/zinc/10/70/04/179107004.db2.gz HVIDODIXTBRKFF-IHRRRGAJSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)OCC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610338 179101979 /nfs/dbraw/zinc/10/19/79/179101979.db2.gz HNYVNHWJTRXUOZ-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621891 179105972 /nfs/dbraw/zinc/10/59/72/179105972.db2.gz YJNGXFGGIFMZNH-GOEBONIOSA-N 2 0 278.444 2.290 10 0 CEAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675755 179112557 /nfs/dbraw/zinc/11/25/57/179112557.db2.gz PYLTVBOGAUZGPB-KKUMJFAQSA-N 2 0 266.429 2.121 10 0 CEAERP CC[C@@](C[NH3+])(C1CC1)N(CC[NH+](C)C)CC(C)C ZINC000086120489 179234743 /nfs/dbraw/zinc/23/47/43/179234743.db2.gz ODMVEDQQGCJARV-OAHLLOKOSA-N 2 0 255.450 2.024 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143098 179237676 /nfs/dbraw/zinc/23/76/76/179237676.db2.gz KEBYFJSFMMHXEE-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP CC[C@@H](C)[C@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146727 179239979 /nfs/dbraw/zinc/23/99/79/179239979.db2.gz SCSPVQFDTUHOGS-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173699 179244812 /nfs/dbraw/zinc/24/48/12/179244812.db2.gz AXBMYQMWNDCAJG-GOEBONIOSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH+]1CCC(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)CC1 ZINC000086173181 179245124 /nfs/dbraw/zinc/24/51/24/179245124.db2.gz JNPUPRRQPVLOIZ-GOEBONIOSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1CN(CCCC[N@H+](C)C(C)C)[C@@H](C)C[NH2+]1 ZINC000086174328 179245714 /nfs/dbraw/zinc/24/57/14/179245714.db2.gz INZRINJNGBKPIA-JKSUJKDBSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217882 179249392 /nfs/dbraw/zinc/24/93/92/179249392.db2.gz CJWRHOQCJOBSSB-CVEARBPZSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223089 179250356 /nfs/dbraw/zinc/25/03/56/179250356.db2.gz LNBDZICTBDEZMC-DJIMGWMZSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223101 179250388 /nfs/dbraw/zinc/25/03/88/179250388.db2.gz OKKXXQPCBDAVJH-ILXRZTDVSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223146 179251612 /nfs/dbraw/zinc/25/16/12/179251612.db2.gz NBFPUDZFMMRNHI-JFIYKMOQSA-N 2 0 287.451 2.147 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223137 179251707 /nfs/dbraw/zinc/25/17/07/179251707.db2.gz OCPPGAMPWPXDEJ-BPQIPLTHSA-N 2 0 287.451 2.363 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259619 179257990 /nfs/dbraw/zinc/25/79/90/179257990.db2.gz SXJTXNUDRFZLEH-OLMNPRSZSA-N 2 0 291.483 2.466 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259227 179258605 /nfs/dbraw/zinc/25/86/05/179258605.db2.gz ZPMGSGHRVSPUFL-HZPDHXFCSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259671 179259292 /nfs/dbraw/zinc/25/92/92/179259292.db2.gz SSNWKCDGMDBQNV-OIISXLGYSA-N 2 0 279.472 2.322 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1CC(C)(C)NC[C@@H]1C ZINC000086261210 179259907 /nfs/dbraw/zinc/25/99/07/179259907.db2.gz TTYMMUWCTCCOIJ-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260742 179260100 /nfs/dbraw/zinc/26/01/00/179260100.db2.gz BLMSOODKICCGGJ-HYVNUMGLSA-N 2 0 279.472 2.179 10 0 CEAERP C(C[N@@H+]1CCC[NH2+]C2(CCCC2)C1)[C@@H]1CCCO1 ZINC000086291389 179265496 /nfs/dbraw/zinc/26/54/96/179265496.db2.gz OAGYJDZZHQFJNF-AWEZNQCLSA-N 2 0 252.402 2.164 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086288677 179264486 /nfs/dbraw/zinc/26/44/86/179264486.db2.gz QHUMDRGROZEDIB-GJZGRUSLSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@@H]1CNC2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259072 179256474 /nfs/dbraw/zinc/25/64/74/179256474.db2.gz HWCQCKFIQOJVHY-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)C[C@H]1CN([C@@H](C)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086255867 179256671 /nfs/dbraw/zinc/25/66/71/179256671.db2.gz SNBXHMLRHOPULG-KKUMJFAQSA-N 2 0 255.450 2.035 10 0 CEAERP CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258986 179256980 /nfs/dbraw/zinc/25/69/80/179256980.db2.gz OCCCFKPOWXVNRM-SJORKVTESA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255937 179256991 /nfs/dbraw/zinc/25/69/91/179256991.db2.gz IINGHYHBOCIPOV-XHSDSOJGSA-N 2 0 269.477 2.425 10 0 CEAERP C1CC1[N@@H+]1CC[C@@H](N2CCC[NH2+][C@@H](C3CCCCC3)C2)C1 ZINC000086291992 179266171 /nfs/dbraw/zinc/26/61/71/179266171.db2.gz GYIOFNBQBWRLTL-QZTJIDSGSA-N 2 0 291.483 2.467 10 0 CEAERP CCC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291499 179266374 /nfs/dbraw/zinc/26/63/74/179266374.db2.gz VAHKOBNBRXMBPL-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC1CCC(N(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819399 179348459 /nfs/dbraw/zinc/34/84/59/179348459.db2.gz LQCCECUAWLADGB-GPANFISMSA-N 2 0 267.461 2.310 10 0 CEAERP CN(c1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819531 179348751 /nfs/dbraw/zinc/34/87/51/179348751.db2.gz JQXJDQLFXRYEJW-HNNXBMFYSA-N 2 0 265.376 2.075 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CCCN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC000086833516 179349574 /nfs/dbraw/zinc/34/95/74/179349574.db2.gz AFKYWLSLIOCZJL-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849636 179357621 /nfs/dbraw/zinc/35/76/21/179357621.db2.gz HJMLZXVNHVQEJE-MRXNPFEDSA-N 2 0 281.444 2.029 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCC[NH+](C)C(C)C)CC1 ZINC000086844344 179354374 /nfs/dbraw/zinc/35/43/74/179354374.db2.gz OUZBNYRPQIUPCZ-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC(C)C)CC1 ZINC000086846826 179355004 /nfs/dbraw/zinc/35/50/04/179355004.db2.gz GHZOOZFKWUAKBY-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H](C)CC)CC1 ZINC000086846843 179355096 /nfs/dbraw/zinc/35/50/96/179355096.db2.gz WHZJNOQTNCCNHA-LSDHHAIUSA-N 2 0 255.450 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846124 179355362 /nfs/dbraw/zinc/35/53/62/179355362.db2.gz MHOWVAIDGOGZQX-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCCN(CC)[C@@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846764 179355564 /nfs/dbraw/zinc/35/55/64/179355564.db2.gz KVFUSTYSEPNYRV-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@](C)(O)CC)CC1 ZINC000087012012 179379040 /nfs/dbraw/zinc/37/90/40/179379040.db2.gz FGBFXXQVHRVBOP-HIFRSBDPSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC2(O)CCCC2)CC1 ZINC000087016005 179379747 /nfs/dbraw/zinc/37/97/47/179379747.db2.gz KFWNTBJVVWHORT-CQSZACIVSA-N 2 0 268.445 2.392 10 0 CEAERP CCCOc1cccc([C@@H](C[NH3+])NCC[NH+](CC)CC)c1 ZINC000087912463 179520722 /nfs/dbraw/zinc/52/07/22/179520722.db2.gz ZQIMRFZSULKPIV-QGZVFWFLSA-N 2 0 293.455 2.407 10 0 CEAERP COc1ccccc1OCC[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112608 179707509 /nfs/dbraw/zinc/70/75/09/179707509.db2.gz VNKKKIRZPLASFM-ZIAGYGMSSA-N 2 0 278.396 2.133 10 0 CEAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000089394928 179779455 /nfs/dbraw/zinc/77/94/55/179779455.db2.gz LYGSFKQRJGKCME-HUUCEWRRSA-N 2 0 295.471 2.132 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)[C@@H](C)CC(C)C ZINC000090566544 180005423 /nfs/dbraw/zinc/00/54/23/180005423.db2.gz QKNBODKZZWNBCA-SOUVJXGZSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CC(C)C)C1CC1 ZINC000090566542 180005814 /nfs/dbraw/zinc/00/58/14/180005814.db2.gz KKLPARBRTHKVPW-UKRRQHHQSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CC(C)C)C(C)C ZINC000090566555 180006254 /nfs/dbraw/zinc/00/62/54/180006254.db2.gz DVTZMSGUCOIBGH-CABCVRRESA-N 2 0 256.434 2.367 10 0 CEAERP CCCCOCC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694386 180026092 /nfs/dbraw/zinc/02/60/92/180026092.db2.gz JYIWUPUVAJUQQR-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694028 180026439 /nfs/dbraw/zinc/02/64/39/180026439.db2.gz TVQGXFAVXUGORK-CQSZACIVSA-N 2 0 289.423 2.335 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[N@@H+](CCC[NH3+])C(C)C)O2 ZINC000090896976 180057509 /nfs/dbraw/zinc/05/75/09/180057509.db2.gz LNZIEPNBPOBYAM-OAHLLOKOSA-N 2 0 262.397 2.358 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090898964 180058046 /nfs/dbraw/zinc/05/80/46/180058046.db2.gz TVRYXAYIGWQLTJ-ZBFHGGJFSA-N 2 0 274.408 2.230 10 0 CEAERP [NH3+]CCc1nc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090958411 180075079 /nfs/dbraw/zinc/07/50/79/180075079.db2.gz VFVMGDYYPSABEM-KGLIPLIRSA-N 2 0 273.405 2.290 10 0 CEAERP CC[C@@H](CC[NH3+])N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090975964 180079176 /nfs/dbraw/zinc/07/91/76/180079176.db2.gz UGLSHYSQJFXMSM-IRXDYDNUSA-N 2 0 287.451 2.071 10 0 CEAERP CC(C)[N@@H+]1CCO[C@@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000091001575 180083376 /nfs/dbraw/zinc/08/33/76/180083376.db2.gz ARMMAIJILTXWPG-MRXNPFEDSA-N 2 0 293.455 2.485 10 0 CEAERP C[C@@H]1c2ccsc2CC[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC000091313966 180132412 /nfs/dbraw/zinc/13/24/12/180132412.db2.gz LGGYNANZIZRQFU-VXGBXAGGSA-N 2 0 266.410 2.046 10 0 CEAERP CCC1CCC([N@H+](C)CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091313875 180132963 /nfs/dbraw/zinc/13/29/63/180132963.db2.gz BBEXGRNVPGBBMP-YMAMQOFZSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000091313561 180133042 /nfs/dbraw/zinc/13/30/42/180133042.db2.gz ALKAZHCCAUWRBS-MRXNPFEDSA-N 2 0 262.397 2.276 10 0 CEAERP CC(C)n1cncc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000091273005 180117636 /nfs/dbraw/zinc/11/76/36/180117636.db2.gz JNCBCRKGKDKMCS-INIZCTEOSA-N 2 0 276.428 2.428 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091430170 180152854 /nfs/dbraw/zinc/15/28/54/180152854.db2.gz HZKPXZILIKTNCE-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091467548 180164359 /nfs/dbraw/zinc/16/43/59/180164359.db2.gz FQWSWZDQIIBPKB-CVEARBPZSA-N 2 0 262.397 2.014 10 0 CEAERP C[N@@H+](Cc1cccc2cccnc21)CC1CC([NH3+])C1 ZINC000091470917 180164743 /nfs/dbraw/zinc/16/47/43/180164743.db2.gz IBJABZBSRHEDFM-UHFFFAOYSA-N 2 0 255.365 2.404 10 0 CEAERP COc1ccc(C[N@H+](C)CC2CC([NH3+])C2)cc1F ZINC000091477731 180166039 /nfs/dbraw/zinc/16/60/39/180166039.db2.gz HFUTYUKLQGKJFT-UHFFFAOYSA-N 2 0 252.333 2.003 10 0 CEAERP CCC[C@](C)(C[NH2+]C(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091491132 180170271 /nfs/dbraw/zinc/17/02/71/180170271.db2.gz CLNHUPJUDXYUID-UYSNPLJNSA-N 2 0 270.461 2.494 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000091392338 180144999 /nfs/dbraw/zinc/14/49/99/180144999.db2.gz NYVJNIUUUCBVGX-CABCVRRESA-N 2 0 274.412 2.080 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091393978 180145800 /nfs/dbraw/zinc/14/58/00/180145800.db2.gz XEMDASKPUORCDC-LSDHHAIUSA-N 2 0 283.460 2.084 10 0 CEAERP C[NH+](C)[C@H]1CCCN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393711 180145812 /nfs/dbraw/zinc/14/58/12/180145812.db2.gz IEFBYBIYTPJYLN-GJZGRUSLSA-N 2 0 297.487 2.330 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394487 180146313 /nfs/dbraw/zinc/14/63/13/180146313.db2.gz QSPHGTTUXFWSBD-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN(C)C1CC[NH+](CC)CC1 ZINC000091403872 180146934 /nfs/dbraw/zinc/14/69/34/180146934.db2.gz ZNFXQCLADOLXIO-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)CN(CC[NH+](C)C)CC(C)C ZINC000091403265 180147372 /nfs/dbraw/zinc/14/73/72/180147372.db2.gz CHEKEFFJFJHMNW-CQSZACIVSA-N 2 0 257.466 2.140 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427799 180151930 /nfs/dbraw/zinc/15/19/30/180151930.db2.gz FELPLFFQWLWODA-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(CN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091427206 180152022 /nfs/dbraw/zinc/15/20/22/180152022.db2.gz OCOCXMBEFSJEFT-OWCLPIDISA-N 2 0 267.461 2.168 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427280 180152281 /nfs/dbraw/zinc/15/22/81/180152281.db2.gz NHPLKMUFOJEGKO-OWCLPIDISA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCCCC1 ZINC000091567349 180195115 /nfs/dbraw/zinc/19/51/15/180195115.db2.gz MJHFSMKABMJRGS-UHFFFAOYSA-N 2 0 275.396 2.430 10 0 CEAERP CC[NH2+][C@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCCC1 ZINC000091647743 180215357 /nfs/dbraw/zinc/21/53/57/180215357.db2.gz AIYGNMXANOWPRF-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CC1CCC([C@@H](O)Cc2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648496 180216122 /nfs/dbraw/zinc/21/61/22/180216122.db2.gz GVSMRBQHTCNSJT-NRAUKZCXSA-N 2 0 277.412 2.078 10 0 CEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)Cc1ncnn1CC(C)C ZINC000091716358 180232531 /nfs/dbraw/zinc/23/25/31/180232531.db2.gz CROJKIOOLRARNG-HNNXBMFYSA-N 2 0 295.475 2.187 10 0 CEAERP CCC[N@H+]([C@@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852569 180272743 /nfs/dbraw/zinc/27/27/43/180272743.db2.gz IHOPKTWHAKSBQV-RUXDESIVSA-N 2 0 270.417 2.310 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCC[C@@H]1O ZINC000091852390 180273037 /nfs/dbraw/zinc/27/30/37/180273037.db2.gz UZBMOTZEMCLVQN-CVSAEHQPSA-N 2 0 254.418 2.272 10 0 CEAERP CCc1cc(C[N@H+](C)C2CCC([NH3+])CC2)n(CC)n1 ZINC000091846788 180270069 /nfs/dbraw/zinc/27/00/69/180270069.db2.gz WFPOIOXVFQTCCB-UHFFFAOYSA-N 2 0 264.417 2.167 10 0 CEAERP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847789 180271227 /nfs/dbraw/zinc/27/12/27/180271227.db2.gz MKEMYLAEYNRMBQ-DNOWBOINSA-N 2 0 281.444 2.026 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(C2(O)CC[NH+](CC)CC2)C1 ZINC000091906320 180283970 /nfs/dbraw/zinc/28/39/70/180283970.db2.gz UZVUMUDVECCQDF-HUUCEWRRSA-N 2 0 268.445 2.379 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](O)([C@@]2(C[NH3+])CC[C@@H](C)C2)CC1 ZINC000091922759 180286762 /nfs/dbraw/zinc/28/67/62/180286762.db2.gz WBGMBGOENJMOPX-PMPSAXMXSA-N 2 0 268.445 2.377 10 0 CEAERP CCC[NH2+][C@](C)(CO)CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090288 180322398 /nfs/dbraw/zinc/32/23/98/180322398.db2.gz OPIPXMFLIIAMDO-ZNMIVQPWSA-N 2 0 256.434 2.105 10 0 CEAERP c1ccc2c(c1)SC[C@@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000092290786 180357984 /nfs/dbraw/zinc/35/79/84/180357984.db2.gz RWKXIQKRUMBGBC-XQQFMLRXSA-N 2 0 260.406 2.027 10 0 CEAERP CC[N@H+](C[C@H]1COc2ccccc21)C1CC[NH2+]CC1 ZINC000092304391 180359315 /nfs/dbraw/zinc/35/93/15/180359315.db2.gz AOJWMQKURVKJMS-ZDUSSCGKSA-N 2 0 260.381 2.237 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc21 ZINC000092308066 180361222 /nfs/dbraw/zinc/36/12/22/180361222.db2.gz HSLMCSZFOYREGP-OAHLLOKOSA-N 2 0 274.408 2.484 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092325734 180363109 /nfs/dbraw/zinc/36/31/09/180363109.db2.gz LQXLWGJOOYCZIF-GFCCVEGCSA-N 2 0 278.444 2.247 10 0 CEAERP CCCNc1cc[nH+]c(CN2CC[C@H]([NH+](C)C)C2)c1 ZINC000092419130 180381882 /nfs/dbraw/zinc/38/18/82/180381882.db2.gz DDXSIKOWSPPXME-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CCCNc1cc[nH+]c(CN(C)CC[NH+]2CCCC2)c1 ZINC000092419166 180382768 /nfs/dbraw/zinc/38/27/68/180382768.db2.gz UEJFHBIEARJXEN-UHFFFAOYSA-N 2 0 276.428 2.431 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@H+](CC)[C@@H](C)C1 ZINC000107915936 186197593 /nfs/dbraw/zinc/19/75/93/186197593.db2.gz WOEILGZGKMXRGY-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1N1CCC[C@H]1C[NH+](C)C ZINC000109571717 186263425 /nfs/dbraw/zinc/26/34/25/186263425.db2.gz WJJUEACOLQBSQL-NEPJUHHUSA-N 2 0 265.376 2.376 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589624 186265250 /nfs/dbraw/zinc/26/52/50/186265250.db2.gz VZSSUSXHWRWJPN-CYBMUJFWSA-N 2 0 284.407 2.081 10 0 CEAERP CCCc1nc(N2CC[C@@H]([NH+]3CCCC3)C2)sc1C[NH3+] ZINC000110275586 186289247 /nfs/dbraw/zinc/28/92/47/186289247.db2.gz FWLWIAWZRSLYHQ-GFCCVEGCSA-N 2 0 294.468 2.229 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC2CCCC2)O1 ZINC000110844720 186328314 /nfs/dbraw/zinc/32/83/14/186328314.db2.gz MJCWIHCQFDKCKT-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705118 186313850 /nfs/dbraw/zinc/31/38/50/186313850.db2.gz XMHHMZWUWBYCGN-CJNGLKHVSA-N 2 0 291.439 2.110 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(C)c(C)c2)C[C@@H]1C ZINC000110708638 186314881 /nfs/dbraw/zinc/31/48/81/186314881.db2.gz DHDIYBBJGXKFHE-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705218 186315032 /nfs/dbraw/zinc/31/50/32/186315032.db2.gz ATTKKHCDIYAISO-SWLSCSKDSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CC[N@@H+]1C ZINC000110711185 186315785 /nfs/dbraw/zinc/31/57/85/186315785.db2.gz DDSKHRLZKGKGOH-HOCLYGCPSA-N 2 0 293.480 2.434 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715224 186315938 /nfs/dbraw/zinc/31/59/38/186315938.db2.gz ROGZOVVTPFURRA-OIISXLGYSA-N 2 0 273.424 2.027 10 0 CEAERP Cc1ccc(C)c([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110716498 186316121 /nfs/dbraw/zinc/31/61/21/186316121.db2.gz KDKGQEYLJABZGJ-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CN(CC2(C[NH2+]C3CC3)CCCCC2)CC[N@@H+]1C ZINC000110744966 186318729 /nfs/dbraw/zinc/31/87/29/186318729.db2.gz VAEXHQHDCXFOCN-HNNXBMFYSA-N 2 0 279.472 2.325 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746762 186319469 /nfs/dbraw/zinc/31/94/69/186319469.db2.gz BNPWIUDHRUWHIW-MRXNPFEDSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110746516 186319492 /nfs/dbraw/zinc/31/94/92/186319492.db2.gz FREQALNJFLMQSC-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110746639 186319565 /nfs/dbraw/zinc/31/95/65/186319565.db2.gz BADRINYJVJMZGP-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747339 186320211 /nfs/dbraw/zinc/32/02/11/186320211.db2.gz BSWRYQMSBHVKJX-UHFFFAOYSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[N@H+](C)[C@@H](CC)C2)c(C)o1 ZINC000110754464 186321044 /nfs/dbraw/zinc/32/10/44/186321044.db2.gz NLEZVEZKUWOPAW-HNNXBMFYSA-N 2 0 279.428 2.224 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755126 186321401 /nfs/dbraw/zinc/32/14/01/186321401.db2.gz FBRBQQFJJRLWEQ-AWEZNQCLSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)CC[C@H](C)[NH2+]CCN1CC[N@H+](C)[C@@H](C)C1 ZINC000110755631 186321646 /nfs/dbraw/zinc/32/16/46/186321646.db2.gz VMDJJDWCMVLCBC-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755234 186321911 /nfs/dbraw/zinc/32/19/11/186321911.db2.gz JDAAEVPJGYSKIC-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC[N@@H+]1C ZINC000110751126 186321972 /nfs/dbraw/zinc/32/19/72/186321972.db2.gz NCQJPIMUXUHREL-CYBMUJFWSA-N 2 0 279.428 2.304 10 0 CEAERP CC[NH2+][C@@H](C)c1sc(N(C)CC[NH+](C)C)nc1C ZINC000111151318 186360691 /nfs/dbraw/zinc/36/06/91/186360691.db2.gz COJPSELPWANYOS-JTQLQIEISA-N 2 0 270.446 2.120 10 0 CEAERP CCC[NH2+]Cc1cnc(N(C)CCC[NH+](C)C)s1 ZINC000111151458 186361104 /nfs/dbraw/zinc/36/11/04/186361104.db2.gz KIJDLMICRSHFAM-UHFFFAOYSA-N 2 0 270.446 2.031 10 0 CEAERP C[N@H+](C[C@@H]1CCCOC1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111164112 186363543 /nfs/dbraw/zinc/36/35/43/186363543.db2.gz FOGSMZBCKAXFEC-ZFWWWQNUSA-N 2 0 275.396 2.412 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)CC[NH+](C)C ZINC000111129600 186356262 /nfs/dbraw/zinc/35/62/62/186356262.db2.gz JTXPMJCBIQGUCU-JKSUJKDBSA-N 2 0 263.429 2.267 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC[NH+](C)C ZINC000111130213 186356411 /nfs/dbraw/zinc/35/64/11/186356411.db2.gz XPBIEAFUARCZPF-RISCZKNCSA-N 2 0 269.820 2.222 10 0 CEAERP CC[NH2+]Cc1cc2ccccc2nc1N(C)CC[NH+](C)C ZINC000111140506 186357125 /nfs/dbraw/zinc/35/71/25/186357125.db2.gz YEGPTIKGDHGRNX-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP CCCc1ccc([C@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111134825 186357142 /nfs/dbraw/zinc/35/71/42/186357142.db2.gz HPPDTDQGKNULET-MRXNPFEDSA-N 2 0 263.429 2.132 10 0 CEAERP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)CC[NH+](C)C ZINC000111134964 186357636 /nfs/dbraw/zinc/35/76/36/186357636.db2.gz ZXLJLINZGCNVPX-WMLDXEAASA-N 2 0 293.455 2.228 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CC[NH+](C)C ZINC000111147382 186359333 /nfs/dbraw/zinc/35/93/33/186359333.db2.gz ZWBHOZSRHJAJJS-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@H]([NH3+])c1ccccc1F ZINC000111147672 186359548 /nfs/dbraw/zinc/35/95/48/186359548.db2.gz HESWQURMFZZDFT-HNNXBMFYSA-N 2 0 267.392 2.099 10 0 CEAERP CC[NH2+]Cc1cccc(CN(C)CCC[NH+](C)C)c1 ZINC000111150397 186360159 /nfs/dbraw/zinc/36/01/59/186360159.db2.gz NVWJDQZHDAMIRK-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)N(C)C[C@@H]1CCCOC1 ZINC000111174962 186364646 /nfs/dbraw/zinc/36/46/46/186364646.db2.gz VHBNQEUPNVSPAM-ZFWWWQNUSA-N 2 0 254.418 2.121 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172688 186365601 /nfs/dbraw/zinc/36/56/01/186365601.db2.gz MZIXGOHHNFXBMX-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH2+]C[C@@]1(C[NH+]2CCCCCC2)CCCOC1 ZINC000111323903 186397436 /nfs/dbraw/zinc/39/74/36/186397436.db2.gz GDNFYDYXWQQCMU-OAHLLOKOSA-N 2 0 254.418 2.269 10 0 CEAERP CC[N@H+](Cc1ccccc1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111324569 186398105 /nfs/dbraw/zinc/39/81/05/186398105.db2.gz UGXJOKPEDNGJRG-INIZCTEOSA-N 2 0 262.397 2.264 10 0 CEAERP CC[N@H+](Cc1ccccc1)C[C@]1(C[NH3+])CCCOC1 ZINC000111324566 186398156 /nfs/dbraw/zinc/39/81/56/186398156.db2.gz UGXJOKPEDNGJRG-MRXNPFEDSA-N 2 0 262.397 2.264 10 0 CEAERP CC(C)C[N@H+](C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324862 186398243 /nfs/dbraw/zinc/39/82/43/186398243.db2.gz RRDLYQSGPKUUKN-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)C[C@@H]2CCCO2)CCCOC1 ZINC000111326594 186398300 /nfs/dbraw/zinc/39/83/00/186398300.db2.gz SXIPAXPURJCIPC-IRXDYDNUSA-N 2 0 298.471 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)C2CCOCC2)CCCOC1 ZINC000111325751 186398764 /nfs/dbraw/zinc/39/87/64/186398764.db2.gz KAZGXOARPVGJTB-QGZVFWFLSA-N 2 0 298.471 2.140 10 0 CEAERP CCC[N@H+](C[C@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324923 186398871 /nfs/dbraw/zinc/39/88/71/186398871.db2.gz DPKMHYWGDLUEBJ-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCCOC1 ZINC000111326335 186399090 /nfs/dbraw/zinc/39/90/90/186399090.db2.gz XDVLTWIHYMRMNQ-DZGCQCFKSA-N 2 0 256.434 2.369 10 0 CEAERP CC[N@H+](C[C@@]1(C[NH2+]C(C)C)CCCOC1)[C@@H](C)COC ZINC000111326378 186399115 /nfs/dbraw/zinc/39/91/15/186399115.db2.gz HZCHVKTWFVHTBL-HOTGVXAUSA-N 2 0 286.460 2.138 10 0 CEAERP C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000111265184 186381146 /nfs/dbraw/zinc/38/11/46/186381146.db2.gz NHKQNFRFZCHRCI-BBRMVZONSA-N 2 0 287.407 2.076 10 0 CEAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000111267026 186382497 /nfs/dbraw/zinc/38/24/97/186382497.db2.gz OLZVKNVVVJHJRY-HIFRSBDPSA-N 2 0 287.407 2.076 10 0 CEAERP [NH3+]CCc1ccccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000111482615 186423258 /nfs/dbraw/zinc/42/32/58/186423258.db2.gz OXKJXXSUFBJPCK-INIZCTEOSA-N 2 0 273.424 2.252 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC000111497077 186424143 /nfs/dbraw/zinc/42/41/43/186424143.db2.gz JYYZOGKQLXJOFK-GXTWGEPZSA-N 2 0 279.403 2.103 10 0 CEAERP CC[C@H]1CCCC[C@H]1[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000111743946 186452308 /nfs/dbraw/zinc/45/23/08/186452308.db2.gz KMWSKTNARDAEFU-LSDHHAIUSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562379 351415979 /nfs/dbraw/zinc/41/59/79/351415979.db2.gz MOJMMNJIPIFHKS-AXFHLTTASA-N 2 0 252.324 2.490 10 0 CEAERP O[C@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000312462481 540460028 /nfs/dbraw/zinc/46/00/28/540460028.db2.gz FLGXQQZILUDIDF-SJORKVTESA-N 2 0 280.456 2.345 10 0 CEAERP CCC[C@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+](C)C ZINC000183102469 368610288 /nfs/dbraw/zinc/61/02/88/368610288.db2.gz UZZHSQKJUHLMTC-LSDHHAIUSA-N 2 0 283.460 2.097 10 0 CEAERP CC(C)CN1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192641249 369838015 /nfs/dbraw/zinc/83/80/15/369838015.db2.gz LRFOTNLBVONZFC-RRFJBIMHSA-N 2 0 254.418 2.121 10 0 CEAERP COc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231670886 370487801 /nfs/dbraw/zinc/48/78/01/370487801.db2.gz GKOCPINOMZKJQS-AWEZNQCLSA-N 2 0 278.396 2.148 10 0 CEAERP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261549252 371643960 /nfs/dbraw/zinc/64/39/60/371643960.db2.gz OKYAYGMRFVEIPI-BPQIPLTHSA-N 2 0 287.451 2.381 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000261577494 371658809 /nfs/dbraw/zinc/65/88/09/371658809.db2.gz CSXBJPXBXXOOPT-SCRDCRAPSA-N 2 0 264.344 2.003 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765170 371723571 /nfs/dbraw/zinc/72/35/71/371723571.db2.gz OCTVSOGPCIZWNQ-ARFHVFGLSA-N 2 0 267.376 2.404 10 0 CEAERP CCC[C@@]1(COC)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261801887 371735060 /nfs/dbraw/zinc/73/50/60/371735060.db2.gz GYHIHOJCWNPMMY-CABCVRRESA-N 2 0 254.418 2.267 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008055 371797762 /nfs/dbraw/zinc/79/77/62/371797762.db2.gz MBZVZABWUSOAFG-DOMZBBRYSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+]CC[C@@H](Nc1cc[nH+]c2ccccc12)C(F)F ZINC000383433092 321847726 /nfs/dbraw/zinc/84/77/26/321847726.db2.gz ICWATPOWLFNXOH-GFCCVEGCSA-N 2 0 251.280 2.051 10 0 CEAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)CC(C)C ZINC000236884854 284821841 /nfs/dbraw/zinc/82/18/41/284821841.db2.gz IGRKKJZVBXWIOV-XHSDSOJGSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](C)C(OC)OC)CC1 ZINC000079605194 184595365 /nfs/dbraw/zinc/59/53/65/184595365.db2.gz IOXKDACNWAGERY-QWHCGFSZSA-N 2 0 272.433 2.094 10 0 CEAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCC(CC)CC1 ZINC000093592452 184694101 /nfs/dbraw/zinc/69/41/01/184694101.db2.gz FBGUUDYKZORMIO-RDJZCZTQSA-N 2 0 295.471 2.132 10 0 CEAERP CC1CC[NH+](CC[C@H]2CCC[C@@]2(CO)[NH2+]C2CC2)CC1 ZINC000093616089 184695893 /nfs/dbraw/zinc/69/58/93/184695893.db2.gz LPQRDYNHQSWESO-WBVHZDCISA-N 2 0 280.456 2.392 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000093730554 184710047 /nfs/dbraw/zinc/71/00/47/184710047.db2.gz MQGPBJOJZWOPPP-PMPSAXMXSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[C@@H]1C ZINC000094458517 184804132 /nfs/dbraw/zinc/80/41/32/184804132.db2.gz GXUCOSRELHAKRF-BPKGMFCQSA-N 2 0 279.472 2.309 10 0 CEAERP CC[NH2+][C@@H]1[C@H](N2CC[N@H+](C)C(C)(C)C2)CCC1(C)C ZINC000094306168 184778433 /nfs/dbraw/zinc/77/84/33/184778433.db2.gz MAFFORWJWTXAFB-ZIAGYGMSSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489501 184809052 /nfs/dbraw/zinc/80/90/52/184809052.db2.gz OKFHGYPFMHJHTQ-GOEBONIOSA-N 2 0 299.528 2.263 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1nc(C)c(C)s1 ZINC000094974407 184909339 /nfs/dbraw/zinc/90/93/39/184909339.db2.gz FFUIDLLVLLVFCS-LBPRGKRZSA-N 2 0 255.431 2.362 10 0 CEAERP CCC[NH2+][C@H](C[C@H]1COCC[C@@H]1[NH2+]C)c1ccoc1 ZINC000094869816 184884401 /nfs/dbraw/zinc/88/44/01/184884401.db2.gz RJHNOAZWQYPQSV-SOUVJXGZSA-N 2 0 266.385 2.335 10 0 CEAERP C[C@H]([NH3+])c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394746 135068903 /nfs/dbraw/zinc/06/89/03/135068903.db2.gz DLBSHIHXCHYDAD-RYUDHWBXSA-N 2 0 265.376 2.376 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000091432925 135069787 /nfs/dbraw/zinc/06/97/87/135069787.db2.gz MIXSKLMSSICDQH-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000091539832 135071831 /nfs/dbraw/zinc/07/18/31/135071831.db2.gz SPXAQKBSWTWBAK-KBPBESRZSA-N 2 0 277.387 2.075 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H](C)[C@H](C)C[NH3+])CC2)c1C ZINC000093068246 135078966 /nfs/dbraw/zinc/07/89/66/135078966.db2.gz JOCDDBUGNQJXNN-ZBFHGGJFSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444549 135088934 /nfs/dbraw/zinc/08/89/34/135088934.db2.gz OTGLWJMBUGMPGN-CZUORRHYSA-N 2 0 291.414 2.390 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000051694479 394556640 /nfs/dbraw/zinc/55/66/40/394556640.db2.gz MTNSECXPGPBOBO-UHFFFAOYSA-N 2 0 276.380 2.207 10 0 CEAERP COc1ccccc1C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833159 394760008 /nfs/dbraw/zinc/76/00/08/394760008.db2.gz RCGRUBJTSAMYDO-NTQSIJHJSA-N 2 0 274.408 2.499 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000165344938 162343546 /nfs/dbraw/zinc/34/35/46/162343546.db2.gz SVQJTKQBTGIWME-GDBMZVCRSA-N 2 0 297.487 2.105 10 0 CEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000168640050 162365643 /nfs/dbraw/zinc/36/56/43/162365643.db2.gz XMZGWJYFOSKOHA-KFWWJZLASA-N 2 0 295.471 2.131 10 0 CEAERP CSCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178308215 165235389 /nfs/dbraw/zinc/23/53/89/165235389.db2.gz NNXLWYGMSOADIU-CYBMUJFWSA-N 2 0 253.415 2.409 10 0 CEAERP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178976940 165266607 /nfs/dbraw/zinc/26/66/07/165266607.db2.gz UPWUWRHFEGNYCQ-XCLFUZPHSA-N 2 0 294.464 2.416 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000019475352 170807381 /nfs/dbraw/zinc/80/73/81/170807381.db2.gz NGFASESIKPHACK-RBSFLKMASA-N 2 0 283.460 2.001 10 0 CEAERP [NH3+]C[C@@H](c1ccccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000020179624 171044334 /nfs/dbraw/zinc/04/43/34/171044334.db2.gz ISTSJGAFVOECPU-INIZCTEOSA-N 2 0 293.842 2.367 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1 ZINC000020179488 171044442 /nfs/dbraw/zinc/04/44/42/171044442.db2.gz YYHYMVOKUHZCOI-QGZVFWFLSA-N 2 0 273.424 2.022 10 0 CEAERP CC[NH+]1CCN([C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000022566043 171391984 /nfs/dbraw/zinc/39/19/84/171391984.db2.gz NZGHQZYQSJCRKU-DLBZAZTESA-N 2 0 275.440 2.349 10 0 CEAERP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037209993 173031794 /nfs/dbraw/zinc/03/17/94/173031794.db2.gz QZVWEXSRUGVTOC-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H]([NH3+])[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693931 174377699 /nfs/dbraw/zinc/37/76/99/174377699.db2.gz IQZSZAJPGLVGBO-HIFRSBDPSA-N 2 0 253.434 2.063 10 0 CEAERP CCC[NH+]1CCC(N(CC)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040747488 174392597 /nfs/dbraw/zinc/39/25/97/174392597.db2.gz IDIZFDGIGPIASH-FKEKPDDDSA-N 3 0 279.472 2.466 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(OC)cc1OCC[NH+]1CCCC1 ZINC000040905443 174431148 /nfs/dbraw/zinc/43/11/48/174431148.db2.gz GLUMYEGTFMOHDF-OAHLLOKOSA-N 2 0 292.423 2.450 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354413 175021818 /nfs/dbraw/zinc/02/18/18/175021818.db2.gz QNRYHBPCKKVHHQ-DLBZAZTESA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC([NH+](C)C)CC1 ZINC000043364379 175024848 /nfs/dbraw/zinc/02/48/48/175024848.db2.gz MHRKMSCZEQDLDT-GDBMZVCRSA-N 2 0 279.428 2.392 10 0 CEAERP [NH3+]C[C@H](c1ccc(Cl)c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000043390525 175033446 /nfs/dbraw/zinc/03/34/46/175033446.db2.gz NHINNXXOOLHKPG-OAHLLOKOSA-N 2 0 297.805 2.259 10 0 CEAERP CCc1ccc([C@H]([NH2+]C)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000043810625 175109332 /nfs/dbraw/zinc/10/93/32/175109332.db2.gz MHFCEGQPCCIJMD-RHSMWYFYSA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818300 175112898 /nfs/dbraw/zinc/11/28/98/175112898.db2.gz IOGNDAVZLTZDQH-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818526 175113353 /nfs/dbraw/zinc/11/33/53/175113353.db2.gz DLAXFWGAKYGDHE-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897063 175119883 /nfs/dbraw/zinc/11/98/83/175119883.db2.gz SQQQYMDFPPJUKM-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897368 175119934 /nfs/dbraw/zinc/11/99/34/175119934.db2.gz AZHTVCHLTZDBCY-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897189 175120167 /nfs/dbraw/zinc/12/01/67/175120167.db2.gz IJNPSYUXCVISCI-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043897518 175120382 /nfs/dbraw/zinc/12/03/82/175120382.db2.gz HYMRWAFQWYULMD-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897459 175120723 /nfs/dbraw/zinc/12/07/23/175120723.db2.gz XANKOIGYTURWJN-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965459 175126671 /nfs/dbraw/zinc/12/66/71/175126671.db2.gz GBHPYWRSQNCEMC-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967992 175128811 /nfs/dbraw/zinc/12/88/11/175128811.db2.gz DCNLKUOUPAXDLM-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967713 175129133 /nfs/dbraw/zinc/12/91/33/175129133.db2.gz CAXAZZAPZZSVEL-ROUUACIJSA-N 2 0 285.435 2.042 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967920 175129231 /nfs/dbraw/zinc/12/92/31/175129231.db2.gz CSULSQHHWBWVLF-XIRDDKMYSA-N 2 0 279.472 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967756 175129312 /nfs/dbraw/zinc/12/93/12/175129312.db2.gz NDNJWVGSDBBAJF-UAGQMJEPSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968019 175129331 /nfs/dbraw/zinc/12/93/31/175129331.db2.gz XSOFNQGZLBOTCR-DLBZAZTESA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967625 175129386 /nfs/dbraw/zinc/12/93/86/175129386.db2.gz SWIPXXARLGGXLM-MSOLQXFVSA-N 2 0 285.435 2.042 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970825 175131857 /nfs/dbraw/zinc/13/18/57/175131857.db2.gz LKKMXHZRHDQXET-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970614 175132121 /nfs/dbraw/zinc/13/21/21/175132121.db2.gz VTSKZMUCLUWTLR-MSOLQXFVSA-N 2 0 287.451 2.145 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC000044986357 175284725 /nfs/dbraw/zinc/28/47/25/175284725.db2.gz GONGKJWOXJNPEQ-LBPRGKRZSA-N 2 0 251.374 2.193 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cc(C)no2)CC1 ZINC000044986354 175284777 /nfs/dbraw/zinc/28/47/77/175284777.db2.gz GONGKJWOXJNPEQ-GFCCVEGCSA-N 2 0 251.374 2.193 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373396 175365015 /nfs/dbraw/zinc/36/50/15/175365015.db2.gz MVYRXYBPEBVANB-UXLLHSPISA-N 2 0 297.487 2.377 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373383 175365180 /nfs/dbraw/zinc/36/51/80/175365180.db2.gz WFSJTSYIBUAUBD-HLLBOEOZSA-N 2 0 297.487 2.378 10 0 CEAERP CCC[NH+](CCC)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045378589 175367865 /nfs/dbraw/zinc/36/78/65/175367865.db2.gz RFQRIIOOERJXBC-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390448 175374444 /nfs/dbraw/zinc/37/44/44/175374444.db2.gz QFUDZPSPJOMMRY-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C1CCCC1 ZINC000045390452 175374726 /nfs/dbraw/zinc/37/47/26/175374726.db2.gz QFUDZPSPJOMMRY-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP CC[C@]1(C)C[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CCO1 ZINC000070368365 175897821 /nfs/dbraw/zinc/89/78/21/175897821.db2.gz VWRXAMFONMJIFJ-VHDGCEQUSA-N 2 0 254.418 2.393 10 0 CEAERP CC[C@@]1(C)C[C@H]([NH+]2CCC(C[NH2+]C)CC2)CCO1 ZINC000070368184 175897997 /nfs/dbraw/zinc/89/79/97/175897997.db2.gz VUORDYFDRSRZFG-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2cnccc2C(F)(F)F)CC1 ZINC000665299074 415684443 /nfs/dbraw/zinc/68/44/43/415684443.db2.gz FVAIAAJATBACEV-UHFFFAOYSA-N 2 0 273.302 2.460 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1OCCc2ccccc21 ZINC000071092172 176031868 /nfs/dbraw/zinc/03/18/68/176031868.db2.gz BQSYSNZKVVIQPL-BTFYYFJDSA-N 2 0 272.392 2.255 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000071124944 176035133 /nfs/dbraw/zinc/03/51/33/176035133.db2.gz UVLLSRNCUIABGT-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071187975 176061637 /nfs/dbraw/zinc/06/16/37/176061637.db2.gz AQSSEPRIXDAHRB-MCIONIFRSA-N 2 0 255.450 2.022 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188076 176061677 /nfs/dbraw/zinc/06/16/77/176061677.db2.gz DRDSOOVJWFFGEJ-WOSRLPQWSA-N 2 0 279.403 2.098 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187888 176061984 /nfs/dbraw/zinc/06/19/84/176061984.db2.gz RECVWYGWRZSUPG-VHDGCEQUSA-N 2 0 281.469 2.410 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188619 176063939 /nfs/dbraw/zinc/06/39/39/176063939.db2.gz NXFQYKWICBSDKC-WBVHZDCISA-N 2 0 275.440 2.132 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000071190074 176065633 /nfs/dbraw/zinc/06/56/33/176065633.db2.gz SXLHKUUIESOCIT-CYBMUJFWSA-N 2 0 291.414 2.466 10 0 CEAERP C[N@@H+](Cc1ccc2c(c1)CCCN2)C[C@H]1CC[NH+](C)C1 ZINC000071190880 176067534 /nfs/dbraw/zinc/06/75/34/176067534.db2.gz MKUQJRBFGODYCN-HNNXBMFYSA-N 2 0 273.424 2.428 10 0 CEAERP COc1ccc([C@@H](O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190642 176068221 /nfs/dbraw/zinc/06/82/21/176068221.db2.gz PLAVFWITHWRGIC-CPUCHLNUSA-N 2 0 292.423 2.001 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191515 176070651 /nfs/dbraw/zinc/07/06/51/176070651.db2.gz CMHPCKVZWIHLBQ-AWEZNQCLSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191896 176071778 /nfs/dbraw/zinc/07/17/78/176071778.db2.gz WDXJGNUDPDSKMF-CQSZACIVSA-N 2 0 279.428 2.161 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191973 176072199 /nfs/dbraw/zinc/07/21/99/176072199.db2.gz UWKWLTIMQAWCKS-HZPDHXFCSA-N 2 0 269.477 2.140 10 0 CEAERP CN(CC[NH2+]CC1CCCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192355 176073633 /nfs/dbraw/zinc/07/36/33/176073633.db2.gz LLWBPQOEKKXVQB-MRXNPFEDSA-N 2 0 267.461 2.040 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071192376 176073747 /nfs/dbraw/zinc/07/37/47/176073747.db2.gz CZHOQXJZHIEZOF-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197765 176076914 /nfs/dbraw/zinc/07/69/14/176076914.db2.gz PBJUSXAWPSDOJJ-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1C[NH3+])[C@@H]1CCSC1 ZINC000071250304 176095098 /nfs/dbraw/zinc/09/50/98/176095098.db2.gz ZCKXUBLTAOMLED-CYBMUJFWSA-N 2 0 254.374 2.222 10 0 CEAERP CN(C)C[C@@H]1CCC[N@@H+]1CCCCCC[NH2+]C1CC1 ZINC000071289814 176110398 /nfs/dbraw/zinc/11/03/98/176110398.db2.gz URSJKJMXFDHGBG-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP COCC[N@H+](CCCCCC[NH2+]C1CC1)[C@@H](C)COC ZINC000071289724 176110570 /nfs/dbraw/zinc/11/05/70/176110570.db2.gz GHBRCEWPMNLCDU-HNNXBMFYSA-N 2 0 286.460 2.282 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000071289823 176110609 /nfs/dbraw/zinc/11/06/09/176110609.db2.gz OMZOVAHNHKXABQ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH+](CC)C[C@@H](C)NC1=[NH+]C[C@H](C2CC2)S1 ZINC000071307863 176116199 /nfs/dbraw/zinc/11/61/99/176116199.db2.gz GNHXHTZWJCDVGC-ZYHUDNBSSA-N 2 0 255.431 2.188 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401193 176153573 /nfs/dbraw/zinc/15/35/73/176153573.db2.gz QQEGKOFHSVSNQA-HZPDHXFCSA-N 2 0 291.439 2.169 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)CC[C@@H](C)CC[NH3+])CC1 ZINC000079118844 177436968 /nfs/dbraw/zinc/43/69/68/177436968.db2.gz BTOAKDQXQVSKPM-OAHLLOKOSA-N 2 0 297.487 2.332 10 0 CEAERP NC(=[NH2+])C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000079842935 177569348 /nfs/dbraw/zinc/56/93/48/177569348.db2.gz VDYSQDZISZZVFO-UHFFFAOYSA-N 2 0 261.369 2.103 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000251173285 278216732 /nfs/dbraw/zinc/21/67/32/278216732.db2.gz FPLUFQRGWUCLEG-KBXIAJHMSA-N 2 0 254.418 2.454 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185343092 278969247 /nfs/dbraw/zinc/96/92/47/278969247.db2.gz MPIVQLIXOOAFLY-HNNXBMFYSA-N 2 0 297.487 2.378 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400347857 279101635 /nfs/dbraw/zinc/10/16/35/279101635.db2.gz IKTUKZKRXQXMFH-KKUMJFAQSA-N 3 0 255.450 2.085 10 0 CEAERP C[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000246560178 279886033 /nfs/dbraw/zinc/88/60/33/279886033.db2.gz ROYKKHVCNXLANI-KBXCAEBGSA-N 2 0 297.402 2.392 10 0 CEAERP CC(C)C[NH+]1CCN(C2(CC(C)C)CC[NH2+]CC2)CC1 ZINC000536956082 330383222 /nfs/dbraw/zinc/38/32/22/330383222.db2.gz XNRGFMXHJMWZEZ-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C)CC[NH2+]C(C)C ZINC000052503421 519717011 /nfs/dbraw/zinc/71/70/11/519717011.db2.gz KMFASMYMSIIKRD-HNNXBMFYSA-N 2 0 257.466 2.283 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010865 519725106 /nfs/dbraw/zinc/72/51/06/519725106.db2.gz JESAJRIDJNUYGT-MRXNPFEDSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516855 519739205 /nfs/dbraw/zinc/73/92/05/519739205.db2.gz GUBVGOKDHWZOSN-MRXNPFEDSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CCC(C[NH+](C)C)CC1 ZINC000052515163 519794866 /nfs/dbraw/zinc/79/48/66/519794866.db2.gz RSSBCOJXYDEEAD-MRXNPFEDSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015116 519859793 /nfs/dbraw/zinc/85/97/93/519859793.db2.gz QOZXCLRSXLFIIL-INIZCTEOSA-N 2 0 261.413 2.104 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055083000 519921093 /nfs/dbraw/zinc/92/10/93/519921093.db2.gz IDUZXMLBBIUXQI-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571586 519921378 /nfs/dbraw/zinc/92/13/78/519921378.db2.gz DEJJRCWGLGZJTK-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673635 519924831 /nfs/dbraw/zinc/92/48/31/519924831.db2.gz VAWSIUHOWNFBBE-JYJNAYRXSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(CCC)CC[NH+](C)C ZINC000045688144 519992585 /nfs/dbraw/zinc/99/25/85/519992585.db2.gz PWNZUABODFWWBS-CABCVRRESA-N 2 0 257.466 2.427 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CCOC)CC(C)C)o1 ZINC000052508520 519995916 /nfs/dbraw/zinc/99/59/16/519995916.db2.gz PKCOGUQVYNMCIY-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC[NH2+]Cc1coc(C[N@H+](CCOC)CC(C)C)c1 ZINC000052508615 520017699 /nfs/dbraw/zinc/01/76/99/520017699.db2.gz WCZCDOBMZPBIST-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000062741181 520309805 /nfs/dbraw/zinc/30/98/05/520309805.db2.gz YSQOCAUNTBUQSG-NWDGAFQWSA-N 2 0 268.426 2.421 10 0 CEAERP CCO[C@H](C[NH3+])CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000062741239 520516004 /nfs/dbraw/zinc/51/60/04/520516004.db2.gz QTVNVNCXRRKILJ-AWEZNQCLSA-N 2 0 256.434 2.498 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000093730950 517589475 /nfs/dbraw/zinc/58/94/75/517589475.db2.gz WGCBLZMTBQXGAT-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP C([NH2+]C1CC1)[C@@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382061 518398626 /nfs/dbraw/zinc/39/86/26/518398626.db2.gz QVRPZSMXWMJJKP-GJZGRUSLSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052373631 518607529 /nfs/dbraw/zinc/60/75/29/518607529.db2.gz PBUDMUPTVJUQAJ-KBPBESRZSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421306 518762897 /nfs/dbraw/zinc/76/28/97/518762897.db2.gz LSQWGOFZCQLWAY-ZIAGYGMSSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943328 519334829 /nfs/dbraw/zinc/33/48/29/519334829.db2.gz WZEWCSBCJOAWQJ-LSDHHAIUSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206059 519339720 /nfs/dbraw/zinc/33/97/20/519339720.db2.gz PVXWKZBFROIWRC-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423980 519725413 /nfs/dbraw/zinc/72/54/13/519725413.db2.gz AZTUILDTVROBRO-SJORKVTESA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)[NH2+]Cc1cccc(OCCOCC[NH+](C)C)c1 ZINC000052669672 519727269 /nfs/dbraw/zinc/72/72/69/519727269.db2.gz WTBFTTNYPSSHMB-UHFFFAOYSA-N 2 0 280.412 2.142 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078903 519728274 /nfs/dbraw/zinc/72/82/74/519728274.db2.gz AHDIIXOERVOXAN-ZWKOTPCHSA-N 2 0 287.451 2.275 10 0 CEAERP CC(C)C[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181974 519729022 /nfs/dbraw/zinc/72/90/22/519729022.db2.gz FVXRHWMUYXPGJG-UHFFFAOYSA-N 2 0 294.468 2.257 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477514 519745852 /nfs/dbraw/zinc/74/58/52/519745852.db2.gz IFYNINLWVUHRER-MRXNPFEDSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]Cc1coc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424292 519748503 /nfs/dbraw/zinc/74/85/03/519748503.db2.gz HVLNLJZDOQAIQR-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC000062771975 519795027 /nfs/dbraw/zinc/79/50/27/519795027.db2.gz CBDOSQOETUWWKQ-NVXWUHKLSA-N 2 0 293.455 2.072 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000050563975 519842259 /nfs/dbraw/zinc/84/22/59/519842259.db2.gz XVXDKVPDMNZEPU-CABCVRRESA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH+]1CCN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000048701923 519855970 /nfs/dbraw/zinc/85/59/70/519855970.db2.gz MYGNVJPQPVFNIZ-CYBMUJFWSA-N 2 0 290.411 2.266 10 0 CEAERP CCC[NH+]1CCN([C@H](CC)C[NH2+]C(C)(C)C)CC1 ZINC000052421781 519859603 /nfs/dbraw/zinc/85/96/03/519859603.db2.gz SMCJJNYMTDKRDA-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054968969 519860055 /nfs/dbraw/zinc/86/00/55/519860055.db2.gz JORUEGXXSMLNRM-UHFFFAOYSA-N 2 0 296.484 2.431 10 0 CEAERP CCC[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062793955 519860189 /nfs/dbraw/zinc/86/01/89/519860189.db2.gz DEAJKKRYNLDWPJ-UHFFFAOYSA-N 2 0 280.803 2.156 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000061287157 519905200 /nfs/dbraw/zinc/90/52/00/519905200.db2.gz KJRQTZJXQAAICJ-UHFFFAOYSA-N 2 0 291.439 2.013 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCC[NH+](C)C ZINC000054602551 519910166 /nfs/dbraw/zinc/91/01/66/519910166.db2.gz VBCSFIILXDHWSD-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]CCC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000061286854 519916432 /nfs/dbraw/zinc/91/64/32/519916432.db2.gz NBYZCMQCHXNRRM-MRXNPFEDSA-N 2 0 291.439 2.185 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547426 519938566 /nfs/dbraw/zinc/93/85/66/519938566.db2.gz VKPKQWVYYMVGDC-ARFHVFGLSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH2+]C[C@@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC000052596940 519945888 /nfs/dbraw/zinc/94/58/88/519945888.db2.gz OMVGMJIDXSCGKL-MRXNPFEDSA-N 2 0 262.397 2.448 10 0 CEAERP CCC[NH2+]Cc1ccccc1C[N@H+](C)CCOC ZINC000052572958 519956147 /nfs/dbraw/zinc/95/61/47/519956147.db2.gz YWNIHPKFHLVJBO-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]C[C@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417105 519969493 /nfs/dbraw/zinc/96/94/93/519969493.db2.gz QLWQGSYBNQONKM-INIZCTEOSA-N 2 0 275.440 2.050 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@H](C)COC ZINC000052511566 519972635 /nfs/dbraw/zinc/97/26/35/519972635.db2.gz AUKNKZPYUZQWNZ-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011762 519975645 /nfs/dbraw/zinc/97/56/45/519975645.db2.gz DTNLZRLJWFRBBZ-JKSUJKDBSA-N 3 0 269.477 2.428 10 0 CEAERP CCC[NH2+][C@H](CN(C)C1CC[NH+](CC)CC1)C1CC1 ZINC000069074564 520080164 /nfs/dbraw/zinc/08/01/64/520080164.db2.gz NKPIWTMMNBCMPJ-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970184 520093255 /nfs/dbraw/zinc/09/32/55/520093255.db2.gz IHFOZERXIMXAPU-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061271127 520169778 /nfs/dbraw/zinc/16/97/78/520169778.db2.gz DBPNHJFIRRTTQN-GFCCVEGCSA-N 2 0 263.385 2.075 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000062741086 520516777 /nfs/dbraw/zinc/51/67/77/520516777.db2.gz UBCAQIMWFYXWHK-RYUDHWBXSA-N 2 0 256.415 2.495 10 0 CEAERP CCCC[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075928 520690964 /nfs/dbraw/zinc/69/09/64/520690964.db2.gz YLIVAMNIYKKACS-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@@](C)(C[NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055081816 520908836 /nfs/dbraw/zinc/90/88/36/520908836.db2.gz PLFVJQPBTLPKHT-HNNXBMFYSA-N 2 0 255.450 2.025 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000069379331 521121554 /nfs/dbraw/zinc/12/15/54/521121554.db2.gz CEQMUACMASSVMY-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[C@](C)(C[NH2+]CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653437 521267068 /nfs/dbraw/zinc/26/70/68/521267068.db2.gz ABYBQSBUBDNBQI-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CCC(CC)(CO)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000051294373 521445237 /nfs/dbraw/zinc/44/52/37/521445237.db2.gz QZRFXIGYNRERMV-UHFFFAOYSA-N 2 0 256.434 2.059 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000054897706 521658546 /nfs/dbraw/zinc/65/85/46/521658546.db2.gz XMWZSZYEXLRCSO-LLVKDONJSA-N 2 0 282.457 2.257 10 0 CEAERP CCCN(CC[NH+](C)C)c1ncc([C@H](C)[NH2+]C)s1 ZINC000054908153 521658696 /nfs/dbraw/zinc/65/86/96/521658696.db2.gz JWIVUGSERYQRTC-NSHDSACASA-N 2 0 270.446 2.202 10 0 CEAERP CCCN(CC[NH+](C)C)c1ncc(C[NH2+]C(C)C)s1 ZINC000054908135 521658753 /nfs/dbraw/zinc/65/87/53/521658753.db2.gz SJDAJZBHHHUGGF-UHFFFAOYSA-N 2 0 284.473 2.419 10 0 CEAERP CCC1(C)CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000062957897 521678023 /nfs/dbraw/zinc/67/80/23/521678023.db2.gz AYCZTEXGFXMFNG-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCN(CC[NH2+][C@H](C)CCC(C)C)CC1 ZINC000053344810 521683917 /nfs/dbraw/zinc/68/39/17/521683917.db2.gz OFSYIFBWXMDEJA-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554514 521695772 /nfs/dbraw/zinc/69/57/72/521695772.db2.gz VEAOCZBQPMALKF-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+](C)CCOCc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052669763 521794621 /nfs/dbraw/zinc/79/46/21/521794621.db2.gz ZHCOFHDOBKQNTQ-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571709 522037738 /nfs/dbraw/zinc/03/77/38/522037738.db2.gz VABFIZHUMKVIDC-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+]C[C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053011438 522090902 /nfs/dbraw/zinc/09/09/02/522090902.db2.gz ASQDCCLRMTVOOF-QGZVFWFLSA-N 2 0 287.451 2.192 10 0 CEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)on1 ZINC000052373085 522107563 /nfs/dbraw/zinc/10/75/63/522107563.db2.gz GYFGEDFNQLFFIO-CQSZACIVSA-N 2 0 271.364 2.384 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083601 522123959 /nfs/dbraw/zinc/12/39/59/522123959.db2.gz FZPKVPVLUCKWHC-NVXWUHKLSA-N 2 0 275.440 2.277 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401560 522125861 /nfs/dbraw/zinc/12/58/61/522125861.db2.gz OKUGHVMIPGNSQQ-CYBMUJFWSA-N 2 0 279.403 2.201 10 0 CEAERP C[NH2+]Cc1cccc(OCC[N@H+](C)[C@@H]2CCSC2)c1 ZINC000052453344 522133261 /nfs/dbraw/zinc/13/32/61/522133261.db2.gz XYGHEGMQAUVDGT-CQSZACIVSA-N 2 0 280.437 2.222 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000055076318 522136859 /nfs/dbraw/zinc/13/68/59/522136859.db2.gz QPMQANOPOHPNGQ-MNOVXSKESA-N 2 0 268.430 2.083 10 0 CEAERP C[NH2+]Cc1cccnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000051448241 522139424 /nfs/dbraw/zinc/13/94/24/522139424.db2.gz AZSDUGBTQFIOPE-UHFFFAOYSA-N 2 0 288.439 2.256 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963987 522345050 /nfs/dbraw/zinc/34/50/50/522345050.db2.gz WHKVFKGKMYHDEM-KCQAQPDRSA-N 2 0 281.469 2.471 10 0 CEAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[C@H]([NH+](C)C)C1 ZINC000062965049 522367108 /nfs/dbraw/zinc/36/71/08/522367108.db2.gz GHQQATNNGUNEQH-BHYGNILZSA-N 2 0 275.440 2.280 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643674 522401387 /nfs/dbraw/zinc/40/13/87/522401387.db2.gz VZIIPNTWCZNVEU-BPQIPLTHSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562085 522449026 /nfs/dbraw/zinc/44/90/26/522449026.db2.gz UEKHCRGNBXHSQV-QWHCGFSZSA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N(C)C3CC[NH+](C)CC3)sc21 ZINC000054899500 522499485 /nfs/dbraw/zinc/49/94/85/522499485.db2.gz ZNHUJWIWQBAGJM-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062804004 522508716 /nfs/dbraw/zinc/50/87/16/522508716.db2.gz IBQIZACTTHOJAS-HNNXBMFYSA-N 2 0 276.380 2.204 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812039 523139066 /nfs/dbraw/zinc/13/90/66/523139066.db2.gz ZBXASBARTODUNI-ZFWWWQNUSA-N 2 0 287.407 2.316 10 0 CEAERP COCC[N@H+](C)Cc1occc1C[NH2+]C(C)(C)C ZINC000052572802 523623299 /nfs/dbraw/zinc/62/32/99/523623299.db2.gz UBLJZZGYBKXTGW-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CN([C@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015141 523625822 /nfs/dbraw/zinc/62/58/22/523625822.db2.gz WBOKBKRPCQMEHZ-MRXNPFEDSA-N 2 0 261.413 2.103 10 0 CEAERP CN(c1nc2c(s1)[C@@H]([NH3+])CCC2)C1CC[NH+](C)CC1 ZINC000054864023 523664670 /nfs/dbraw/zinc/66/46/70/523664670.db2.gz YOEMGWMHIQOVGU-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP CC[C@@]1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000062912536 523735114 /nfs/dbraw/zinc/73/51/14/523735114.db2.gz BQVPVYXXZREIGW-QGZVFWFLSA-N 3 0 279.472 2.184 10 0 CEAERP COCC[NH2+]CC1CC[NH+](CC2CCCC2)CC1 ZINC000053660987 523936402 /nfs/dbraw/zinc/93/64/02/523936402.db2.gz UEVRGBPXQMHXOX-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP COc1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011052 523951645 /nfs/dbraw/zinc/95/16/45/523951645.db2.gz WZMJMAMMKZDXDA-OAHLLOKOSA-N 2 0 274.408 2.312 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055064746 523953215 /nfs/dbraw/zinc/95/32/15/523953215.db2.gz QMCPHJFQBVJRDT-PCKAHOCUSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065456 523955698 /nfs/dbraw/zinc/95/56/98/523955698.db2.gz RHULKWJCLUWLLF-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063643 523959123 /nfs/dbraw/zinc/95/91/23/523959123.db2.gz FCWROGPQROWBMC-GOEBONIOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063986 523959144 /nfs/dbraw/zinc/95/91/44/523959144.db2.gz ADYPYGYCJFHNGZ-BFHYXJOUSA-N 2 0 255.450 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055063652 523959444 /nfs/dbraw/zinc/95/94/44/523959444.db2.gz CLZQVZCDGXNQEP-GXTWGEPZSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063997 523959573 /nfs/dbraw/zinc/95/95/73/523959573.db2.gz KCECECIUHPOVGD-XJKSGUPXSA-N 2 0 279.403 2.242 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125337 523981003 /nfs/dbraw/zinc/98/10/03/523981003.db2.gz QFGUPHWJKBNLEC-CYBMUJFWSA-N 2 0 255.365 2.276 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@](C)(N)c2ccccc2)CC1 ZINC000052883546 524050002 /nfs/dbraw/zinc/05/00/02/524050002.db2.gz WQYOETYTLBFNLA-QGZVFWFLSA-N 2 0 275.440 2.134 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419961 524191726 /nfs/dbraw/zinc/19/17/26/524191726.db2.gz VMONYTHLOBWNPE-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)c1 ZINC000063051125 524472689 /nfs/dbraw/zinc/47/26/89/524472689.db2.gz NDQQEBVPMBDDAQ-KRWDZBQOSA-N 2 0 275.440 2.331 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654720 524477505 /nfs/dbraw/zinc/47/75/05/524477505.db2.gz IGDPGJQTIUPPKD-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N1CCC(C[NH+](C)C)CC1 ZINC000053495822 524490722 /nfs/dbraw/zinc/49/07/22/524490722.db2.gz KJQJPCICYFOHRI-CQSZACIVSA-N 2 0 295.496 2.500 10 0 CEAERP Cc1cc(CN2CC[NH+](C3CCCC3)CC2)oc1C[NH3+] ZINC000052573507 524693504 /nfs/dbraw/zinc/69/35/04/524693504.db2.gz CMSNGWQNLVEONM-UHFFFAOYSA-N 2 0 277.412 2.107 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061641991 525785181 /nfs/dbraw/zinc/78/51/81/525785181.db2.gz WHARCSLXQPYNEM-GZBFAFLISA-N 2 0 265.401 2.002 10 0 CEAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643529 526024180 /nfs/dbraw/zinc/02/41/80/526024180.db2.gz WSHBTVQHIKOEQX-IMJJTQAJSA-N 2 0 261.413 2.101 10 0 CEAERP NC(=[NH2+])C[C@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055023331 526817560 /nfs/dbraw/zinc/81/75/60/526817560.db2.gz PALJHXFPXCCPIC-OAHLLOKOSA-N 2 0 275.396 2.291 10 0 CEAERP Cc1nc(N(CC[NH+](C)C)CC(C)C)sc1[C@@H](C)[NH3+] ZINC000054896611 526953419 /nfs/dbraw/zinc/95/34/19/526953419.db2.gz HUZJYWWXNJOSNC-LLVKDONJSA-N 2 0 284.473 2.495 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[N@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542054 527239711 /nfs/dbraw/zinc/23/97/11/527239711.db2.gz WGNCLXZGZHEWGX-KGLIPLIRSA-N 2 0 266.410 2.219 10 0 CEAERP [NH3+]Cc1c(Cl)cccc1OCC[NH+]1CCCC1 ZINC000052904906 527244111 /nfs/dbraw/zinc/24/41/11/527244111.db2.gz NHFUZJQGTGKSJA-UHFFFAOYSA-N 2 0 254.761 2.273 10 0 CEAERP [NH3+]Cc1ccc(Cl)cc1N1CC[NH+](C2CC2)CC1 ZINC000062786915 527253906 /nfs/dbraw/zinc/25/39/06/527253906.db2.gz PHMWAIGGBHYQKP-UHFFFAOYSA-N 2 0 265.788 2.083 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757147680 574510559 /nfs/dbraw/zinc/51/05/59/574510559.db2.gz SPVWPNZCHVDLDM-AWEZNQCLSA-N 2 0 252.402 2.223 10 0 CEAERP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791963 625113476 /nfs/dbraw/zinc/11/34/76/625113476.db2.gz UTOCBQHCPAXJMO-ROUUACIJSA-N 2 0 287.451 2.383 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000309932782 628168328 /nfs/dbraw/zinc/16/83/28/628168328.db2.gz WZLAKURBYHXWJM-MLHJIOFPSA-N 2 0 286.419 2.276 10 0 CEAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009630 628248057 /nfs/dbraw/zinc/24/80/57/628248057.db2.gz YIJSCALGRVOVFU-MCIONIFRSA-N 2 0 299.459 2.314 10 0 CEAERP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000089150628 632292861 /nfs/dbraw/zinc/29/28/61/632292861.db2.gz CLEXVVSCXPSZKM-UXIGCNINSA-N 2 0 250.361 2.474 10 0 CEAERP CC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000224873433 639466525 /nfs/dbraw/zinc/46/65/25/639466525.db2.gz SHPAAWXCLZYVCL-GJZGRUSLSA-N 2 0 252.402 2.162 10 0 CEAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253290962 282085469 /nfs/dbraw/zinc/08/54/69/282085469.db2.gz QFGHRDQWBRVIGB-ARFHVFGLSA-N 2 0 268.445 2.344 10 0 CEAERP C(C[NH+]1CCCC1)N1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC000096090729 185095344 /nfs/dbraw/zinc/09/53/44/185095344.db2.gz ZMOVNOMROIVRPD-MSOLQXFVSA-N 2 0 291.483 2.136 10 0 CEAERP C[C@@H]1CCC[C@@H](c2cncn2CCC[NH+](C)C)[NH2+]1 ZINC000097010940 185151992 /nfs/dbraw/zinc/15/19/92/185151992.db2.gz GTKMLBMAJBXFBB-OLZOCXBDSA-N 2 0 250.390 2.038 10 0 CEAERP CCOCC[NH+](CCOCC)CC1CCC(C[NH3+])CC1 ZINC000097031442 185154551 /nfs/dbraw/zinc/15/45/51/185154551.db2.gz OJNABCBGLGKYTL-UHFFFAOYSA-N 2 0 286.460 2.127 10 0 CEAERP c1cc(NCC[NH+]2CCCC2)c2cc3c(cc2[nH+]1)OCO3 ZINC000113373235 344276905 /nfs/dbraw/zinc/27/69/05/344276905.db2.gz XMIFCKFUILAXAX-UHFFFAOYSA-N 2 0 285.347 2.471 10 0 CEAERP C[N@@H+](Cc1cc(F)cc(F)c1)CC1CC[NH2+]CC1 ZINC000097904691 529979810 /nfs/dbraw/zinc/97/98/10/529979810.db2.gz ICVDVKDRLIJDGN-UHFFFAOYSA-N 2 0 254.324 2.396 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136203824 344383954 /nfs/dbraw/zinc/38/39/54/344383954.db2.gz LVLPNJCIRODBEI-QGZVFWFLSA-N 2 0 295.471 2.097 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C[C@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000251791450 344637953 /nfs/dbraw/zinc/63/79/53/344637953.db2.gz LOXFKBYEMKVHND-INMHGKMJSA-N 2 0 295.471 2.003 10 0 CEAERP CC[NH2+][C@@H](C)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000084392518 178879733 /nfs/dbraw/zinc/87/97/33/178879733.db2.gz ZYXYVIJLFPSGJG-ZNMIVQPWSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](C2CCC(CC)CC2)CC1 ZINC000085070176 178947082 /nfs/dbraw/zinc/94/70/82/178947082.db2.gz SENASPPKFGQYSN-HWOWSKLDSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH+](C)CC(C)(C)Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568336 179095013 /nfs/dbraw/zinc/09/50/13/179095013.db2.gz YBNLJOXQERYEAW-UHFFFAOYSA-N 2 0 292.471 2.414 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085613221 179102503 /nfs/dbraw/zinc/10/25/03/179102503.db2.gz ZBKOMDCVYQHMGT-CYBMUJFWSA-N 2 0 294.361 2.419 10 0 CEAERP CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085611279 179103135 /nfs/dbraw/zinc/10/31/35/179103135.db2.gz YDMWZXSVLCCKIM-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)OCC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@@H]1C ZINC000085623129 179105841 /nfs/dbraw/zinc/10/58/41/179105841.db2.gz NWPBFHVLYGIZLP-AWEZNQCLSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623663 179105892 /nfs/dbraw/zinc/10/58/92/179105892.db2.gz YCYSHJBBKDOSIJ-VHDGCEQUSA-N 2 0 252.402 2.018 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086141824 179236531 /nfs/dbraw/zinc/23/65/31/179236531.db2.gz SELLJXXBAFUDGE-SJLPKXTDSA-N 2 0 287.451 2.149 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086152541 179240720 /nfs/dbraw/zinc/24/07/20/179240720.db2.gz AJKJHOUKSZEKIO-YESZJQIVSA-N 2 0 279.472 2.035 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](CC)CN1 ZINC000086173664 179244417 /nfs/dbraw/zinc/24/44/17/179244417.db2.gz OOWCMJYAVKIZML-XIRDDKMYSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223000 179250619 /nfs/dbraw/zinc/25/06/19/179250619.db2.gz MFKFJXXQPKMTJK-DJIMGWMZSA-N 2 0 279.472 2.181 10 0 CEAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223919 179252870 /nfs/dbraw/zinc/25/28/70/179252870.db2.gz HHVHQNLXXCHFDZ-USXIJHARSA-N 2 0 273.424 2.116 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223927 179253889 /nfs/dbraw/zinc/25/38/89/179253889.db2.gz RKFLLCXJWZUYFO-BRWVUGGUSA-N 2 0 279.472 2.179 10 0 CEAERP CCC[NH+]1CCC(N2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086227287 179254414 /nfs/dbraw/zinc/25/44/14/179254414.db2.gz FMVMFUNXRJMDKE-WMLDXEAASA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259326 179257757 /nfs/dbraw/zinc/25/77/57/179257757.db2.gz HYWHHBMJVWYXIV-HOTGVXAUSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259322 179258112 /nfs/dbraw/zinc/25/81/12/179258112.db2.gz QRDHGLOZGBZUOS-YESZJQIVSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259673 179259371 /nfs/dbraw/zinc/25/93/71/179259371.db2.gz OITQSJXSBPMXSJ-SJORKVTESA-N 2 0 291.483 2.466 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260739 179260257 /nfs/dbraw/zinc/26/02/57/179260257.db2.gz BLMSOODKICCGGJ-OIISXLGYSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)(C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291401 179265107 /nfs/dbraw/zinc/26/51/07/179265107.db2.gz MRKQTFLBUNMGMW-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086288688 179264230 /nfs/dbraw/zinc/26/42/30/179264230.db2.gz NDQOSCBQIUQGNL-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086288710 179264907 /nfs/dbraw/zinc/26/49/07/179264907.db2.gz SFYMIWCCSALFJB-AEFFLSMTSA-N 2 0 287.451 2.149 10 0 CEAERP C[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086288709 179265030 /nfs/dbraw/zinc/26/50/30/179265030.db2.gz SFYMIWCCSALFJB-SJLPKXTDSA-N 2 0 287.451 2.149 10 0 CEAERP CC[C@@H]1CN[C@@](C)(CC)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259052 179256923 /nfs/dbraw/zinc/25/69/23/179256923.db2.gz LPIZUJNNCSGGQP-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291657 179266966 /nfs/dbraw/zinc/26/69/66/179266966.db2.gz LMBVTENBKFTTNN-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N(C)[C@@H]3CCC[N@H+](C)C3)nc21 ZINC000086443085 179293847 /nfs/dbraw/zinc/29/38/47/179293847.db2.gz ZEPFILAZKXIPHG-VXGBXAGGSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CC[N@@H+]1C ZINC000086444161 179294083 /nfs/dbraw/zinc/29/40/83/179294083.db2.gz QAXWFWOZTWIBBS-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP CCOC(=O)C[C@@]1([NH+]2CCCCC2)CCC[N@H+](C)CC1 ZINC000086834411 179349412 /nfs/dbraw/zinc/34/94/12/179349412.db2.gz FGMHNWJJIOSOBP-MRXNPFEDSA-N 2 0 282.428 2.280 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850901 179357660 /nfs/dbraw/zinc/35/76/60/179357660.db2.gz RFONXRDUVFCYKE-YESZJQIVSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837157 179351529 /nfs/dbraw/zinc/35/15/29/179351529.db2.gz AIUBWRADBQHKIV-OAHLLOKOSA-N 2 0 264.417 2.126 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843734 179352504 /nfs/dbraw/zinc/35/25/04/179352504.db2.gz DYYAQKIZTXVSJY-OAHLLOKOSA-N 3 0 255.450 2.182 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840837 179352857 /nfs/dbraw/zinc/35/28/57/179352857.db2.gz ONZGTFALTIAYJF-HOTGVXAUSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845899 179354500 /nfs/dbraw/zinc/35/45/00/179354500.db2.gz FPRBVMUXTRXBNZ-JYJNAYRXSA-N 2 0 268.445 2.392 10 0 CEAERP CCOC(=O)C[C@@]1([NH+]2CCCC2)CCC[N@H+](CC)CC1 ZINC000086868522 179360990 /nfs/dbraw/zinc/36/09/90/179360990.db2.gz MVADIOHKCDFKQA-MRXNPFEDSA-N 2 0 282.428 2.280 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000086890953 179366296 /nfs/dbraw/zinc/36/62/96/179366296.db2.gz WLESKRAOAQFERQ-ILXRZTDVSA-N 2 0 254.418 2.395 10 0 CEAERP CC(C)[NH+]1CCN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890707 179366340 /nfs/dbraw/zinc/36/63/40/179366340.db2.gz XNUVWRVDFYMQAB-CVEARBPZSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)CC1 ZINC000086890717 179366383 /nfs/dbraw/zinc/36/63/83/179366383.db2.gz ZALAAADOGYBXBH-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913250 179367143 /nfs/dbraw/zinc/36/71/43/179367143.db2.gz DQMXTCKYTONDAO-LSDHHAIUSA-N 2 0 254.418 2.397 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087048526 179388050 /nfs/dbraw/zinc/38/80/50/179388050.db2.gz VRHPXDFCKOEKME-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000087045139 179388156 /nfs/dbraw/zinc/38/81/56/179388156.db2.gz JTTCUVWSLGWFPA-PYBGIAKNSA-N 2 0 268.445 2.248 10 0 CEAERP CC1CCC(O)(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000087044472 179388183 /nfs/dbraw/zinc/38/81/83/179388183.db2.gz PPDXQJSZBMBUDG-ZMUBYXEMSA-N 2 0 268.445 2.246 10 0 CEAERP CCC1CCC(O)(C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000087053206 179389004 /nfs/dbraw/zinc/38/90/04/179389004.db2.gz KFBMOMWADTYYFV-UHFFFAOYSA-N 2 0 268.445 2.249 10 0 CEAERP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C)C2)CC1 ZINC000087049083 179389018 /nfs/dbraw/zinc/38/90/18/179389018.db2.gz WQXKYAXJADQNTK-HOCLYGCPSA-N 2 0 268.445 2.390 10 0 CEAERP CCC(CC)[C@@H](CN[C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922301 187399364 /nfs/dbraw/zinc/39/93/64/187399364.db2.gz STOMTOODRCHJHU-HUUCEWRRSA-N 2 0 255.450 2.085 10 0 CEAERP CN1CC[N@H+](CC2(CC(N)=[NH2+])CC2)[C@H](c2ccccc2)C1 ZINC000088258120 179571748 /nfs/dbraw/zinc/57/17/48/179571748.db2.gz FOXGZOVXXCHADX-HNNXBMFYSA-N 2 0 286.423 2.081 10 0 CEAERP CCC[NH2+]C1CCC(O)([C@@H]2C[C@H](CC)CC[NH2+]2)CC1 ZINC000089539878 179814135 /nfs/dbraw/zinc/81/41/35/179814135.db2.gz XIKJQRKYDSOOIR-CIDNJEQPSA-N 2 0 268.445 2.438 10 0 CEAERP CC1CCC(C[NH3+])(CN2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000089582317 179823656 /nfs/dbraw/zinc/82/36/56/179823656.db2.gz VTOLRNJRDGCMQE-CGZBRXJRSA-N 2 0 279.472 2.312 10 0 CEAERP C[NH2+]C[C@@]1(C[NH+]2CCC(CO)CC2)CCC[C@@H](C)C1 ZINC000089612839 179829617 /nfs/dbraw/zinc/82/96/17/179829617.db2.gz XWUUNRFJEZSWJP-GDBMZVCRSA-N 2 0 268.445 2.107 10 0 CEAERP CCC[NH2+]Cc1cncn1C[C@@H](C)C[NH+]1CCCC1 ZINC000090242420 179939350 /nfs/dbraw/zinc/93/93/50/179939350.db2.gz JFTOTSCEKHIGDN-AWEZNQCLSA-N 2 0 264.417 2.115 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090876271 180051809 /nfs/dbraw/zinc/05/18/09/180051809.db2.gz RBIRZJYSZRFUBH-HIFRSBDPSA-N 2 0 260.381 2.051 10 0 CEAERP CC(C)[N@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879150 180052662 /nfs/dbraw/zinc/05/26/62/180052662.db2.gz DDXBHFKXUXFSQP-AWEZNQCLSA-N 2 0 266.360 2.188 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@H]1Cc2cc(F)ccc2O1 ZINC000090879179 180053159 /nfs/dbraw/zinc/05/31/59/180053159.db2.gz PKMLMISBEBAKQB-OAHLLOKOSA-N 2 0 280.387 2.436 10 0 CEAERP CC[C@@](C)(C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377208 539759248 /nfs/dbraw/zinc/75/92/48/539759248.db2.gz JKUUEVKERJUDRF-DLBZAZTESA-N 2 0 276.424 2.389 10 0 CEAERP Nc1ccsc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000090959133 180075637 /nfs/dbraw/zinc/07/56/37/180075637.db2.gz YZXDBAMKFXQZHH-UHFFFAOYSA-N 2 0 253.415 2.296 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090976050 180078650 /nfs/dbraw/zinc/07/86/50/180078650.db2.gz AXYDWAVCCGOMTD-SJORKVTESA-N 2 0 287.451 2.071 10 0 CEAERP CCn1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000091012637 180086393 /nfs/dbraw/zinc/08/63/93/180086393.db2.gz RSXORRNGGPUBSS-MQVJKMGUSA-N 2 0 261.413 2.470 10 0 CEAERP C[C@@H](c1cccs1)[N@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091313899 180132662 /nfs/dbraw/zinc/13/26/62/180132662.db2.gz OMCJZCBYQFCZQU-NWDGAFQWSA-N 2 0 254.399 2.119 10 0 CEAERP CC(C)n1cncc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000091273018 180117771 /nfs/dbraw/zinc/11/77/71/180117771.db2.gz MFSHYKGSRSPSEU-LBPRGKRZSA-N 2 0 250.390 2.023 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CCC[NH2+]C2CCCCC2)C1 ZINC000091431454 180153739 /nfs/dbraw/zinc/15/37/39/180153739.db2.gz FIQDPTZKHGOVRL-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)C[N@H+](C)CC1CC(O)C1 ZINC000091489230 180168831 /nfs/dbraw/zinc/16/88/31/180168831.db2.gz STMNKRIXFVCRSA-LYSZQXJVSA-N 2 0 276.424 2.286 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091393872 180145495 /nfs/dbraw/zinc/14/54/95/180145495.db2.gz WEMHLKKFOIESNN-OWCLPIDISA-N 2 0 267.461 2.310 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)ccc1F ZINC000091393605 180145589 /nfs/dbraw/zinc/14/55/89/180145589.db2.gz JGYLAVSSKFSTLY-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c(C)c1 ZINC000091395191 180146440 /nfs/dbraw/zinc/14/64/40/180146440.db2.gz XMACSWBIWHQFKB-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CCC[C@]1(CN2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]C1 ZINC000091395104 180146676 /nfs/dbraw/zinc/14/66/76/180146676.db2.gz SXOFIUHKDNYTKS-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN(C)CCC[NH+](C)C ZINC000091405165 180147056 /nfs/dbraw/zinc/14/70/56/180147056.db2.gz JQVPFYUKSGRDGX-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091404650 180147259 /nfs/dbraw/zinc/14/72/59/180147259.db2.gz PRKSOUSUYKABIU-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)CC(C)(C)[C@@H](C)[NH2+]CC ZINC000091403882 180147270 /nfs/dbraw/zinc/14/72/70/180147270.db2.gz KTDRVEUHJGETDU-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP C[C@H](O)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091406006 180147873 /nfs/dbraw/zinc/14/78/73/180147873.db2.gz FJZGJQJVBPPHPK-AWEZNQCLSA-N 2 0 268.445 2.201 10 0 CEAERP CC[NH+](CC)[C@](C)(CC)[C@H](O)Cc1c[nH+]ccc1N ZINC000091573029 180196121 /nfs/dbraw/zinc/19/61/21/180196121.db2.gz WLZCJYWXMMEHFB-HUUCEWRRSA-N 2 0 265.401 2.078 10 0 CEAERP CCC[NH2+][C@@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCC1 ZINC000091536112 180182000 /nfs/dbraw/zinc/18/20/00/180182000.db2.gz ALJMSAAYYQOPRA-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000091548014 180187526 /nfs/dbraw/zinc/18/75/26/180187526.db2.gz VHIRHOIOLYSXDK-LSDHHAIUSA-N 2 0 287.407 2.348 10 0 CEAERP [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000091548865 180188386 /nfs/dbraw/zinc/18/83/86/180188386.db2.gz CPCBRSSPTQVZBP-LSDHHAIUSA-N 2 0 287.407 2.348 10 0 CEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cnn(CC)c1 ZINC000091716478 180232210 /nfs/dbraw/zinc/23/22/10/180232210.db2.gz VNGJQYJRDIKYMP-HNNXBMFYSA-N 2 0 266.433 2.156 10 0 CEAERP CC[N@H+](CCOCC(F)(F)F)C1CCC([NH3+])CC1 ZINC000091850886 180271892 /nfs/dbraw/zinc/27/18/92/180271892.db2.gz GAXAUAWUFARDQX-UHFFFAOYSA-N 2 0 268.323 2.157 10 0 CEAERP CC[N@H+](Cc1c(Cl)c(C)nn1C)C1CCC([NH3+])CC1 ZINC000091850795 180272304 /nfs/dbraw/zinc/27/23/04/180272304.db2.gz SZXPJFIRIZVPJQ-UHFFFAOYSA-N 2 0 284.835 2.474 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cncn2C(C)C)CC1 ZINC000091871222 180277430 /nfs/dbraw/zinc/27/74/30/180277430.db2.gz GPFRWKBQXNAVJU-UHFFFAOYSA-N 2 0 264.417 2.426 10 0 CEAERP CCC[NH+]1CCC(O)([C@@]2(C[NH3+])CCc3ccccc32)CC1 ZINC000091906335 180284316 /nfs/dbraw/zinc/28/43/16/180284316.db2.gz BHVFFJWXXJEOPH-QGZVFWFLSA-N 2 0 288.435 2.066 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002990 180304198 /nfs/dbraw/zinc/30/41/98/180304198.db2.gz YXWRJKTYLLXUIC-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002289 180304702 /nfs/dbraw/zinc/30/47/02/180304702.db2.gz NAYAXCTWDCUUHR-CABCVRRESA-N 2 0 295.471 2.227 10 0 CEAERP C[C@@H]1C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082173 180319460 /nfs/dbraw/zinc/31/94/60/180319460.db2.gz KORMHJBRMZRMBG-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP C[C@H]1C[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082224 180319866 /nfs/dbraw/zinc/31/98/66/180319866.db2.gz DBEOERFLYPRFHY-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092203741 180343398 /nfs/dbraw/zinc/34/33/98/180343398.db2.gz AOTCVCJMZFVAII-DZGCQCFKSA-N 2 0 287.407 2.370 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298945 180358426 /nfs/dbraw/zinc/35/84/26/180358426.db2.gz VWDDZQXPXXFITP-CYBMUJFWSA-N 2 0 292.448 2.319 10 0 CEAERP C[N@H+](C[C@@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000092298087 180358873 /nfs/dbraw/zinc/35/88/73/180358873.db2.gz QGJQLHQIVYLVPX-IYXRBSQSSA-N 2 0 260.381 2.364 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298038 180358952 /nfs/dbraw/zinc/35/89/52/180358952.db2.gz PCVQHDXONHKQLE-TZMCWYRMSA-N 2 0 260.381 2.222 10 0 CEAERP CCC[NH2+][C@H](CN(C)C[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000092626736 180419342 /nfs/dbraw/zinc/41/93/42/180419342.db2.gz KMMAWEHQVCCNFR-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@H](C)CCc1nc(CC[NH+](CC)CC)no1 ZINC000109496265 186256300 /nfs/dbraw/zinc/25/63/00/186256300.db2.gz CJGCXWRDQCZZNK-ZDUSSCGKSA-N 2 0 282.432 2.275 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604158 186268136 /nfs/dbraw/zinc/26/81/36/186268136.db2.gz MTINICOKYCEVRE-CVEARBPZSA-N 2 0 290.407 2.494 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000109460486 186253657 /nfs/dbraw/zinc/25/36/57/186253657.db2.gz HJSXGJZNYLMMHZ-QGZVFWFLSA-N 2 0 275.440 2.158 10 0 CEAERP CCc1ccc(C[NH+]2CCN([C@H](CC)C[NH3+])CC2)cc1 ZINC000109460505 186254366 /nfs/dbraw/zinc/25/43/66/186254366.db2.gz UVIRJCQKVQQPQK-QGZVFWFLSA-N 2 0 275.440 2.104 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(Cl)c1C[NH3+] ZINC000110459600 186297000 /nfs/dbraw/zinc/29/70/00/186297000.db2.gz IOFFOPVWDWDOGK-LLVKDONJSA-N 2 0 267.804 2.187 10 0 CEAERP C[N@H+](CCNC(=O)CC1CCC(C[NH3+])CC1)C1CCCC1 ZINC000110618412 186305131 /nfs/dbraw/zinc/30/51/31/186305131.db2.gz OKSVBILGUMEYBZ-UHFFFAOYSA-N 2 0 295.471 2.132 10 0 CEAERP C[C@H]1CN([C@@H](C[NH3+])c2cccc3ccccc32)CC[N@@H+]1C ZINC000110708476 186313741 /nfs/dbraw/zinc/31/37/41/186313741.db2.gz LUMXZPOGNXNPQA-KSSFIOAISA-N 2 0 283.419 2.476 10 0 CEAERP C[C@H](C[C@@H](C[NH3+])N1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000110708030 186313832 /nfs/dbraw/zinc/31/38/32/186313832.db2.gz UAWHOMHYYUQPTJ-VYDXJSESSA-N 2 0 275.440 2.143 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704714 186314078 /nfs/dbraw/zinc/31/40/78/186314078.db2.gz UQQQEDVDVVNXHW-OAHLLOKOSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000110707170 186314574 /nfs/dbraw/zinc/31/45/74/186314574.db2.gz OTLNSOODKGOSSJ-HZMBPMFUSA-N 2 0 285.794 2.115 10 0 CEAERP COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705121 186314676 /nfs/dbraw/zinc/31/46/76/186314676.db2.gz XMHHMZWUWBYCGN-XJKSGUPXSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704946 186315126 /nfs/dbraw/zinc/31/51/26/186315126.db2.gz OBQQSZLSJGXMJY-GFCCVEGCSA-N 2 0 267.442 2.082 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC[N@@H+]1C ZINC000110710528 186315514 /nfs/dbraw/zinc/31/55/14/186315514.db2.gz MXTBPAZAFRIGEY-YJNKXOJESA-N 2 0 291.439 2.429 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC[N@@H+]1C ZINC000110716105 186316115 /nfs/dbraw/zinc/31/61/15/186316115.db2.gz KCPLTJZELKCTLE-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716407 186316390 /nfs/dbraw/zinc/31/63/90/186316390.db2.gz ITWLNTWQYGAOBM-ZBFHGGJFSA-N 2 0 275.440 2.409 10 0 CEAERP CC[N@@H+]1CCN(CC2(C[NH2+]C)CCCCC2)C[C@@H]1C ZINC000110745645 186318642 /nfs/dbraw/zinc/31/86/42/186318642.db2.gz JUSLRBURHWVZTC-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110754551 186320400 /nfs/dbraw/zinc/32/04/00/186320400.db2.gz MIQJMEKDJSJYIZ-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH+]1CCC(N(C)c2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000111034369 186347208 /nfs/dbraw/zinc/34/72/08/186347208.db2.gz GXJBSJKNAFBWMP-UHFFFAOYSA-N 2 0 278.375 2.030 10 0 CEAERP C[NH2+]Cc1sc(N(C)CC[NH+](C)C)nc1C(C)(C)C ZINC000111151859 186360889 /nfs/dbraw/zinc/36/08/89/186360889.db2.gz DAWRKQBJHPCYBZ-UHFFFAOYSA-N 2 0 284.473 2.158 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)CCOCC)CCOCC1 ZINC000111123025 186355468 /nfs/dbraw/zinc/35/54/68/186355468.db2.gz GZGWPROKTICLBJ-UHFFFAOYSA-N 2 0 286.460 2.141 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CC[NH+](C)C ZINC000111129691 186355878 /nfs/dbraw/zinc/35/58/78/186355878.db2.gz IGXCMAVIJRQSCT-HUUCEWRRSA-N 2 0 267.392 2.098 10 0 CEAERP CCCOc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133805 186355889 /nfs/dbraw/zinc/35/58/89/186355889.db2.gz JLWRNGLMBHGRNI-QGZVFWFLSA-N 2 0 293.455 2.359 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111131745 186356325 /nfs/dbraw/zinc/35/63/25/186356325.db2.gz VVCWYLKUEWLLHU-DOMZBBRYSA-N 2 0 267.392 2.098 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133755 186356371 /nfs/dbraw/zinc/35/63/71/186356371.db2.gz MZHNWFLXHANQSY-MRXNPFEDSA-N 2 0 263.429 2.132 10 0 CEAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C ZINC000111130915 186356728 /nfs/dbraw/zinc/35/67/28/186356728.db2.gz LPQCLIBDUUAOCG-CHWSQXEVSA-N 2 0 269.458 2.328 10 0 CEAERP CC[NH2+][C@@H](C)c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000111138470 186357024 /nfs/dbraw/zinc/35/70/24/186357024.db2.gz ADHNWZPCCGZVJI-LBPRGKRZSA-N 2 0 267.392 2.494 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136097 186357089 /nfs/dbraw/zinc/35/70/89/186357089.db2.gz BXEQNXKERCSSSV-CVEARBPZSA-N 2 0 263.429 2.349 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111134409 186357285 /nfs/dbraw/zinc/35/72/85/186357285.db2.gz OCVSMAWVXDPVCC-MRXNPFEDSA-N 2 0 263.429 2.057 10 0 CEAERP CN(CC[NH+](C)C)C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000111135407 186357327 /nfs/dbraw/zinc/35/73/27/186357327.db2.gz GUQKYKDHAKMFQV-MRXNPFEDSA-N 2 0 277.456 2.477 10 0 CEAERP CN(CC[NH+](C)C)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111134663 186357744 /nfs/dbraw/zinc/35/77/44/186357744.db2.gz FPKCGOVFRWIIEB-YYUOFMGYSA-N 2 0 279.472 2.024 10 0 CEAERP CC(C)[NH2+]Cc1cccc(OCCN(C)CC[NH+](C)C)c1 ZINC000111149537 186358368 /nfs/dbraw/zinc/35/83/68/186358368.db2.gz RXVVOGYEDQDNEZ-UHFFFAOYSA-N 2 0 293.455 2.057 10 0 CEAERP C[NH2+][C@@H](CCN(C)CCC[NH+](C)C)c1cccc(F)c1 ZINC000111147587 186358463 /nfs/dbraw/zinc/35/84/63/186358463.db2.gz PIBKJKHUWWIJMZ-INIZCTEOSA-N 2 0 281.419 2.360 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000111149030 186358912 /nfs/dbraw/zinc/35/89/12/186358912.db2.gz INTAGIFVAYMDFK-UHFFFAOYSA-N 2 0 298.862 2.478 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CC[NH+](C)C ZINC000111147466 186359589 /nfs/dbraw/zinc/35/95/89/186359589.db2.gz UZJQCVSFOGKJAE-RDJZCZTQSA-N 2 0 277.456 2.467 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN(C)CCC[NH+](C)C ZINC000111150178 186359971 /nfs/dbraw/zinc/35/99/71/186359971.db2.gz RUKLIGAEZFKGCJ-UHFFFAOYSA-N 2 0 267.417 2.161 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N(C)CCC[NH+](C)C ZINC000111150323 186360127 /nfs/dbraw/zinc/36/01/27/186360127.db2.gz KXNLPKQVNGWKNV-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CC(C)C[NH2+]Cc1ccccc1CN(C)CC[NH+](C)C ZINC000111149803 186360179 /nfs/dbraw/zinc/36/01/79/186360179.db2.gz IQEOIILGYVKAPW-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC2CCOCC2)O1 ZINC000111175558 186365217 /nfs/dbraw/zinc/36/52/17/186365217.db2.gz RCZWXHCGEDMDQY-DLBZAZTESA-N 2 0 298.471 2.138 10 0 CEAERP C[N@H+](C[C@@H]1CCCOC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111171475 186365695 /nfs/dbraw/zinc/36/56/95/186365695.db2.gz RRKSDEICSHNDRD-ZDUSSCGKSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)(C)[NH2+]C[C@@]1(C[NH+]2CCCC2)CCCOC1 ZINC000111323654 186396589 /nfs/dbraw/zinc/39/65/89/186396589.db2.gz HKEKLWFUEWXPLW-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)[C@@H](C)C(C)C)CCCOC1 ZINC000111325456 186398469 /nfs/dbraw/zinc/39/84/69/186398469.db2.gz DBVXUIUELQRZIX-LSDHHAIUSA-N 2 0 256.434 2.369 10 0 CEAERP CC[N@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324686 186398484 /nfs/dbraw/zinc/39/84/84/186398484.db2.gz SHQLNLVCPGMJGI-OAHLLOKOSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326446 186399009 /nfs/dbraw/zinc/39/90/09/186399009.db2.gz ZYAGXVILLGYHCL-DLBZAZTESA-N 2 0 298.471 2.282 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](C)[C@@H]2CCSC2)CCCOC1 ZINC000111325030 186399175 /nfs/dbraw/zinc/39/91/75/186399175.db2.gz HYQQWMGSTAKQLH-CABCVRRESA-N 2 0 286.485 2.220 10 0 CEAERP CCC[NH2+]C[C@@]1(CN(CCC)CC[NH+](C)C)CCCOC1 ZINC000111327469 186399192 /nfs/dbraw/zinc/39/91/92/186399192.db2.gz ZTPXJUZVMYULIY-QGZVFWFLSA-N 2 0 299.503 2.056 10 0 CEAERP c1cc(CC[NH+]2CCC(C[NH2+]C3CC3)CC2)ccn1 ZINC000111696701 186444523 /nfs/dbraw/zinc/44/45/23/186444523.db2.gz ZCLGAZHKFQLPMT-UHFFFAOYSA-N 2 0 259.397 2.088 10 0 CEAERP CO[C@@H]1C[N@H+](CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369559 351714412 /nfs/dbraw/zinc/71/44/12/351714412.db2.gz WJHCKBUZBGMYIT-ZFWWWQNUSA-N 2 0 254.418 2.251 10 0 CEAERP CCC[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000161531138 367094064 /nfs/dbraw/zinc/09/40/64/367094064.db2.gz JBRRDAKKLOYXPR-OAHLLOKOSA-N 2 0 277.412 2.417 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840097 367581433 /nfs/dbraw/zinc/58/14/33/367581433.db2.gz PKBZBXCVMAWWFY-YPMHNXCESA-N 2 0 273.355 2.401 10 0 CEAERP C[C@H]1C[N@H+](CCSc2ccccc2)C[C@@H]1C[NH3+] ZINC000631840214 367581457 /nfs/dbraw/zinc/58/14/57/367581457.db2.gz ASJAQVGCMHGQES-STQMWFEESA-N 2 0 250.411 2.305 10 0 CEAERP CC[NH+]1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343583147 367898913 /nfs/dbraw/zinc/89/89/13/367898913.db2.gz AOFQNBYHWVJCRF-STQMWFEESA-N 2 0 254.418 2.264 10 0 CEAERP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000231453775 370479535 /nfs/dbraw/zinc/47/95/35/370479535.db2.gz BEWKMAKIHSGORV-AWEZNQCLSA-N 2 0 278.396 2.278 10 0 CEAERP Cc1ncsc1CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670202 370486989 /nfs/dbraw/zinc/48/69/89/370486989.db2.gz YQIMMLCKKWSHBH-LBPRGKRZSA-N 2 0 253.415 2.068 10 0 CEAERP O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262025072 371802849 /nfs/dbraw/zinc/80/28/49/371802849.db2.gz WOCWNZYLNNRQDS-CJNGLKHVSA-N 2 0 296.361 2.072 10 0 CEAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643457928 373127046 /nfs/dbraw/zinc/12/70/46/373127046.db2.gz AZQZZHZBVGXMCG-USXIJHARSA-N 2 0 275.440 2.267 10 0 CEAERP CC(C)OC1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000643475795 373144404 /nfs/dbraw/zinc/14/44/04/373144404.db2.gz LZOJHNDANYGMNV-HESLUPGFSA-N 2 0 254.418 2.310 10 0 CEAERP CC(C)C(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)C ZINC000388412316 375290828 /nfs/dbraw/zinc/29/08/28/375290828.db2.gz JDTZIGRZZAEILY-HNNXBMFYSA-N 2 0 270.461 2.351 10 0 CEAERP O[C@H](C[NH2+]CCC1CCCCC1)C[NH+]1CCCCC1 ZINC000311949071 376695447 /nfs/dbraw/zinc/69/54/47/376695447.db2.gz JEXDPRUGNSXDRJ-MRXNPFEDSA-N 2 0 268.445 2.393 10 0 CEAERP C[C@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793843 379503744 /nfs/dbraw/zinc/50/37/44/379503744.db2.gz LMRGSNMODHOYFS-RDJZCZTQSA-N 2 0 275.440 2.096 10 0 CEAERP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000388768251 542372687 /nfs/dbraw/zinc/37/26/87/542372687.db2.gz FZWKUNSZOSYSJB-QLFBSQMISA-N 2 0 254.418 2.002 10 0 CEAERP CNC(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCC[NH2+]2)cc1 ZINC000093473319 184680851 /nfs/dbraw/zinc/68/08/51/184680851.db2.gz OXSFAVOEXNDCFL-BBRMVZONSA-N 2 0 289.423 2.057 10 0 CEAERP Cc1cc(N2CCc3ccccc3[C@H]2C[NH3+])cc[nH+]1 ZINC000162933568 291942707 /nfs/dbraw/zinc/94/27/07/291942707.db2.gz UDIGBEIKZBAVSJ-MRXNPFEDSA-N 2 0 253.349 2.453 10 0 CEAERP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](C)CCC(F)(F)F ZINC000093618246 184696614 /nfs/dbraw/zinc/69/66/14/184696614.db2.gz RXHKLNWITOSIMC-OLZOCXBDSA-N 2 0 296.377 2.401 10 0 CEAERP C[NH2+][C@@]1(CO)CCC[C@@H]([NH+]2CCCCCCC2)C1 ZINC000093781790 184720231 /nfs/dbraw/zinc/72/02/31/184720231.db2.gz VBQZCOTYCWBBOS-CABCVRRESA-N 2 0 254.418 2.146 10 0 CEAERP CCCC1CC[NH+]([C@@H]2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000093780906 184720265 /nfs/dbraw/zinc/72/02/65/184720265.db2.gz LKRGLCGGMZRXGF-HUUCEWRRSA-N 2 0 254.418 2.131 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+]3CCC[C@@H]3C2)cc1C ZINC000094458837 184804592 /nfs/dbraw/zinc/80/45/92/184804592.db2.gz NOSUDIUGPLQNSD-IAGOWNOFSA-N 2 0 273.424 2.083 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094383936 184792107 /nfs/dbraw/zinc/79/21/07/184792107.db2.gz PJZVNTBFOJUFFG-HNNXBMFYSA-N 2 0 298.496 2.363 10 0 CEAERP C[NH+](C)[C@@H]1CCN(Cc2ccc(C[NH2+]C(C)(C)C)cn2)C1 ZINC000094758347 184855717 /nfs/dbraw/zinc/85/57/17/184855717.db2.gz FQKCIZYMOVNBEP-MRXNPFEDSA-N 2 0 290.455 2.106 10 0 CEAERP C[C@H]([NH3+])c1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000042394335 134888242 /nfs/dbraw/zinc/88/82/42/134888242.db2.gz BFMHIGQQOPZWCE-ZDUSSCGKSA-N 2 0 261.413 2.484 10 0 CEAERP CC[C@H](C[NH3+])C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000087535251 135050783 /nfs/dbraw/zinc/05/07/83/135050783.db2.gz UXQBEAMEPGEXCK-CYBMUJFWSA-N 2 0 281.831 2.447 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2C[NH3+])C1 ZINC000091393823 135068818 /nfs/dbraw/zinc/06/88/18/135068818.db2.gz FDGSDVCCCPEMGW-CYBMUJFWSA-N 2 0 267.804 2.329 10 0 CEAERP Cc1cccc(N2CC[NH+](CC(C)(C)[C@H](C)[NH3+])CC2)c1 ZINC000091402350 135068944 /nfs/dbraw/zinc/06/89/44/135068944.db2.gz IYLITSBSJPKOJG-HNNXBMFYSA-N 2 0 275.440 2.490 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000091427349 135069784 /nfs/dbraw/zinc/06/97/84/135069784.db2.gz YWIGWUKZOQAESC-QGZVFWFLSA-N 2 0 290.455 2.358 10 0 CEAERP C[C@H]1Cc2ccccc2N(CC[NH+]2CCC([NH3+])CC2)C1 ZINC000092721516 135076965 /nfs/dbraw/zinc/07/69/65/135076965.db2.gz XSFKHRVJTLVQBG-AWEZNQCLSA-N 2 0 273.424 2.108 10 0 CEAERP Cc1ccc(C[NH3+])c(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094438322 135088021 /nfs/dbraw/zinc/08/80/21/135088021.db2.gz LZDABSBXSANODL-OAHLLOKOSA-N 2 0 259.397 2.128 10 0 CEAERP CC[NH2+]Cc1ccnc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000094443268 135088440 /nfs/dbraw/zinc/08/84/40/135088440.db2.gz CDSDCCZCGPVAAF-HOCLYGCPSA-N 2 0 288.439 2.254 10 0 CEAERP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccccc32)C[C@@H]1C ZINC000246248983 394512434 /nfs/dbraw/zinc/51/24/34/394512434.db2.gz SJHZBMAITTVDSP-KBPBESRZSA-N 2 0 285.391 2.126 10 0 CEAERP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415095254 394887897 /nfs/dbraw/zinc/88/78/97/394887897.db2.gz ZELHZDARFHDNBV-AAEUAGOBSA-N 2 0 252.789 2.470 10 0 CEAERP COCC[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000380945974 395170526 /nfs/dbraw/zinc/17/05/26/395170526.db2.gz COLKMNMBBJJHBG-BMFZPTHFSA-N 2 0 262.397 2.086 10 0 CEAERP FC(F)(F)c1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398310708 395234291 /nfs/dbraw/zinc/23/42/91/395234291.db2.gz KXSGBAMJFNPHPY-NSHDSACASA-N 2 0 258.287 2.405 10 0 CEAERP CCC[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC000179397783 395193772 /nfs/dbraw/zinc/19/37/72/395193772.db2.gz VJFBVFBDQAFZCE-MRXNPFEDSA-N 2 0 295.471 2.194 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@@H]12 ZINC000389156001 400537099 /nfs/dbraw/zinc/53/70/99/400537099.db2.gz YAIFTVRPCIQIOW-KBUPBQIOSA-N 2 0 264.413 2.147 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000020128569 171015312 /nfs/dbraw/zinc/01/53/12/171015312.db2.gz URHYWNSPTNWCCP-CQSZACIVSA-N 2 0 250.411 2.343 10 0 CEAERP C[N@H+](Cc1ccc(C[NH3+])cc1F)[C@H]1CCSC1 ZINC000035725210 172380248 /nfs/dbraw/zinc/38/02/48/172380248.db2.gz BOJHIYPTHMMICF-LBPRGKRZSA-N 2 0 254.374 2.222 10 0 CEAERP CC[NH+](CC)CCCN[C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209990 173031431 /nfs/dbraw/zinc/03/14/31/173031431.db2.gz QZVWEXSRUGVTOC-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+]1CCN([C@H](C[NH3+])c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424733 173198937 /nfs/dbraw/zinc/19/89/37/173198937.db2.gz ODJIGESKLYSESE-CYBMUJFWSA-N 2 0 288.222 2.241 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCc3c(N)cccc3C1)C2 ZINC000038032449 174028532 /nfs/dbraw/zinc/02/85/32/174028532.db2.gz JFVQQOLPJHLVGQ-YIONKMFJSA-N 2 0 271.408 2.252 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(OCC[NH+]2CCCCC2)n1 ZINC000040509808 174304271 /nfs/dbraw/zinc/30/42/71/174304271.db2.gz LRKXQLIWWDYAIV-UHFFFAOYSA-N 2 0 263.385 2.022 10 0 CEAERP CC[NH+](CC)CCNC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040669620 174367871 /nfs/dbraw/zinc/36/78/71/174367871.db2.gz HKVCVCJPAFVAAY-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+](CC)CCNC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000040669616 174368175 /nfs/dbraw/zinc/36/81/75/174368175.db2.gz HKVCVCJPAFVAAY-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672689 174370233 /nfs/dbraw/zinc/37/02/33/174370233.db2.gz YBXDWABRYNAJKV-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CCOC1CC[NH+](Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000040689517 174376264 /nfs/dbraw/zinc/37/62/64/174376264.db2.gz CDVJJOMSJSKFMO-UHFFFAOYSA-N 2 0 279.359 2.111 10 0 CEAERP C[C@H](CC(N)=S)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694056 174377886 /nfs/dbraw/zinc/37/78/86/174377886.db2.gz LVUBOFFZCOGAIN-GFCCVEGCSA-N 2 0 269.458 2.001 10 0 CEAERP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]CCCC[NH3+])C2 ZINC000040740395 174390561 /nfs/dbraw/zinc/39/05/61/174390561.db2.gz FYLPTONFHDELQE-AGUYFDCRSA-N 2 0 297.443 2.245 10 0 CEAERP COC(C)(C)C[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770172 174399852 /nfs/dbraw/zinc/39/98/52/174399852.db2.gz BSORJEWWIOAFDO-HZPDHXFCSA-N 2 0 299.503 2.052 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000040831208 174412593 /nfs/dbraw/zinc/41/25/93/174412593.db2.gz YHXFMOGMOIIKPI-OAHLLOKOSA-N 2 0 283.460 2.001 10 0 CEAERP C[NH+]1CCC(OC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000041019137 174451739 /nfs/dbraw/zinc/45/17/39/174451739.db2.gz CQSNJLMKONKQDA-OAHLLOKOSA-N 2 0 276.380 2.104 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354416 175021449 /nfs/dbraw/zinc/02/14/49/175021449.db2.gz QNRYHBPCKKVHHQ-SJORKVTESA-N 2 0 290.455 2.134 10 0 CEAERP C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810464 175109733 /nfs/dbraw/zinc/10/97/33/175109733.db2.gz UDCSXEBFCHPGGX-BZSNNMDCSA-N 2 0 287.451 2.158 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043811078 175110554 /nfs/dbraw/zinc/11/05/54/175110554.db2.gz WVZYJQMQDJOQST-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815198 175111529 /nfs/dbraw/zinc/11/15/29/175111529.db2.gz SCWLORNUSLFJRL-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043815176 175111633 /nfs/dbraw/zinc/11/16/33/175111633.db2.gz RSNRGUQUUQYXKI-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043897043 175119731 /nfs/dbraw/zinc/11/97/31/175119731.db2.gz GZDZEJFDFZBRLB-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907707 175123460 /nfs/dbraw/zinc/12/34/60/175123460.db2.gz QZXCQIZIFMGALP-HOTGVXAUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970787 175131700 /nfs/dbraw/zinc/13/17/00/175131700.db2.gz SBDIJELGMVZWOJ-ZBFHGGJFSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970781 175132131 /nfs/dbraw/zinc/13/21/31/175132131.db2.gz FSPDNYNUPAMVJV-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044798035 175254480 /nfs/dbraw/zinc/25/44/80/175254480.db2.gz LOSVARVUPPECAQ-UHFFFAOYSA-N 2 0 285.476 2.236 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000045171441 175321191 /nfs/dbraw/zinc/32/11/91/175321191.db2.gz RQRRCUOPBLFXED-RISCZKNCSA-N 2 0 276.428 2.172 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379755 175369497 /nfs/dbraw/zinc/36/94/97/175369497.db2.gz JEQMJRIWEDMLLU-LZWOXQAQSA-N 2 0 283.460 2.272 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385320 175372288 /nfs/dbraw/zinc/37/22/88/175372288.db2.gz SZIXQANSKKLJMZ-ZFWWWQNUSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045385920 175372311 /nfs/dbraw/zinc/37/23/11/175372311.db2.gz AXTHJHOUBYJMGC-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392014 175375618 /nfs/dbraw/zinc/37/56/18/175375618.db2.gz NYMDVVDXZDKZRT-GOEBONIOSA-N 2 0 285.476 2.377 10 0 CEAERP COC(=O)[C@](C)([NH3+])CCC[NH+](CC(C)C)CC(C)C ZINC000045420410 175378485 /nfs/dbraw/zinc/37/84/85/175378485.db2.gz IZKFQCDBIOWDQG-OAHLLOKOSA-N 2 0 272.433 2.271 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045421034 175379679 /nfs/dbraw/zinc/37/96/79/175379679.db2.gz IXFCDXPGYPBKRC-XJKSGUPXSA-N 2 0 285.476 2.377 10 0 CEAERP CCC[C@@H]1C[C@@](C[NH3+])(N(CC[NH+](C)C)CC(C)C)CCO1 ZINC000070365259 175894563 /nfs/dbraw/zinc/89/45/63/175894563.db2.gz ABNIGFRTIJOKGF-SJORKVTESA-N 2 0 299.503 2.183 10 0 CEAERP CO[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284053 415673531 /nfs/dbraw/zinc/67/35/31/415673531.db2.gz ZMXAJIXHXNLYFL-HUUCEWRRSA-N 2 0 254.418 2.313 10 0 CEAERP C[NH+](C)CCCC[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071091051 176031127 /nfs/dbraw/zinc/03/11/27/176031127.db2.gz XKSYQMGUFGZNBV-INIZCTEOSA-N 2 0 262.397 2.232 10 0 CEAERP CCCC1CCC([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000071148480 176043985 /nfs/dbraw/zinc/04/39/85/176043985.db2.gz QDIMLMYKBMYKJL-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CCCCCC[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148924 176044437 /nfs/dbraw/zinc/04/44/37/176044437.db2.gz QVOSJXITYFNUEV-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000071161863 176046229 /nfs/dbraw/zinc/04/62/29/176046229.db2.gz NLSJIXQXJNXJEJ-DLBZAZTESA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000071162113 176046785 /nfs/dbraw/zinc/04/67/85/176046785.db2.gz HIHZWAVPTGNBJV-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000071187923 176061449 /nfs/dbraw/zinc/06/14/49/176061449.db2.gz AVRHNXJTGVMNMB-MNOVXSKESA-N 2 0 287.860 2.285 10 0 CEAERP CC[C@H]([NH3+])[C@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071187974 176061529 /nfs/dbraw/zinc/06/15/29/176061529.db2.gz AQSSEPRIXDAHRB-RDBSUJKOSA-N 2 0 255.450 2.022 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071188375 176062885 /nfs/dbraw/zinc/06/28/85/176062885.db2.gz UAGPNPOORBHELE-GTPINHCMSA-N 2 0 281.488 2.414 10 0 CEAERP CCC[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188676 176063330 /nfs/dbraw/zinc/06/33/30/176063330.db2.gz HUGUSAZEXXQHID-KLHDSHLOSA-N 2 0 267.461 2.166 10 0 CEAERP Cc1cc(C)c([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188613 176063409 /nfs/dbraw/zinc/06/34/09/176063409.db2.gz RCUVGLLHFAZLDZ-SJORKVTESA-N 2 0 289.467 2.495 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188818 176063793 /nfs/dbraw/zinc/06/37/93/176063793.db2.gz HQWHZMUAKXXURI-PMPSAXMXSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189395 176064702 /nfs/dbraw/zinc/06/47/02/176064702.db2.gz WPIBIPGHDGOWEY-VXGBXAGGSA-N 2 0 265.376 2.233 10 0 CEAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191845 176072297 /nfs/dbraw/zinc/07/22/97/176072297.db2.gz QJFGJROMZDXRET-HUUCEWRRSA-N 3 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)[C@@H](CN1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000071197853 176076746 /nfs/dbraw/zinc/07/67/46/176076746.db2.gz UOVMGAQVQROLGT-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC000071197758 176076770 /nfs/dbraw/zinc/07/67/70/176076770.db2.gz WRYNGICLJOQOMW-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1[C@H]1C[NH+]2CCC1CC2 ZINC000071268605 176102340 /nfs/dbraw/zinc/10/23/40/176102340.db2.gz NYLHJROVSFMBKS-AWEZNQCLSA-N 2 0 259.328 2.061 10 0 CEAERP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000071401062 176153372 /nfs/dbraw/zinc/15/33/72/176153372.db2.gz DKRDJVMVNMHFOH-HOTGVXAUSA-N 2 0 291.439 2.169 10 0 CEAERP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000071401432 176153949 /nfs/dbraw/zinc/15/39/49/176153949.db2.gz HWLNINBMSCOVKU-CVEARBPZSA-N 2 0 289.423 2.019 10 0 CEAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)cc1Cl ZINC000076663531 177050171 /nfs/dbraw/zinc/05/01/71/177050171.db2.gz HENGNJPZDGDGNF-NSHDSACASA-N 2 0 256.777 2.343 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000079118875 177436653 /nfs/dbraw/zinc/43/66/53/177436653.db2.gz OWPLNBGHUQJJDJ-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000079212142 177448097 /nfs/dbraw/zinc/44/80/97/177448097.db2.gz UFNKWVUYIJPTJI-INIZCTEOSA-N 2 0 297.487 2.380 10 0 CEAERP CC[C@H](CC[NH3+])CCC[NH2+]CCc1nccs1 ZINC000079214285 177449573 /nfs/dbraw/zinc/44/95/73/177449573.db2.gz UINKHDCLRDICEK-LBPRGKRZSA-N 2 0 255.431 2.430 10 0 CEAERP O=C1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2N1 ZINC000333319716 275017722 /nfs/dbraw/zinc/01/77/22/275017722.db2.gz UHSNRBPHUUZVTE-GXTWGEPZSA-N 2 0 273.380 2.049 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000227539207 276376094 /nfs/dbraw/zinc/37/60/94/276376094.db2.gz JYYMZFJPKPVCIS-APHBMKBZSA-N 2 0 259.397 2.205 10 0 CEAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)cc1 ZINC000258815662 280527447 /nfs/dbraw/zinc/52/74/47/280527447.db2.gz SXMPWKJLAXYLFH-VIFPVBQESA-N 2 0 257.175 2.276 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000261570236 298877686 /nfs/dbraw/zinc/87/76/86/298877686.db2.gz OIBZVSWFKCSCJN-OEAJRASXSA-N 2 0 266.429 2.454 10 0 CEAERP O[C@H](C[NH+]1CCC(C2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000032500618 304839987 /nfs/dbraw/zinc/83/99/87/304839987.db2.gz KILXCYGWMQVVSW-GOSISDBHSA-N 2 0 288.435 2.432 10 0 CEAERP C[C@@H]([NH2+]CCCc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000576146998 314246447 /nfs/dbraw/zinc/24/64/47/314246447.db2.gz VJVKJAGUJLSUOR-VXGBXAGGSA-N 2 0 253.415 2.053 10 0 CEAERP CC(C)[NH+](CCN[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000578062608 314440787 /nfs/dbraw/zinc/44/07/87/314440787.db2.gz ADQPLBWDYMJZRL-HUUCEWRRSA-N 2 0 255.450 2.083 10 0 CEAERP CC(C)C[NH+]1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000055075977 519725107 /nfs/dbraw/zinc/72/51/07/519725107.db2.gz MVLGUVUSNOLHFJ-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000055078461 519728647 /nfs/dbraw/zinc/72/86/47/519728647.db2.gz ILAQWEGIFDCBLW-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)N[C@@](C)(C[C@H](C)[NH+]1CCCCCCC1)C(N)=O ZINC000068617399 519736837 /nfs/dbraw/zinc/73/68/37/519736837.db2.gz XYQVDSRUJOLPIN-HOCLYGCPSA-N 2 0 283.460 2.273 10 0 CEAERP CC(C)C[NH2+]CC1(C[NH+]2CCCC2)CCOCC1 ZINC000052180653 519742785 /nfs/dbraw/zinc/74/27/85/519742785.db2.gz XVSTXBAJZVAOJS-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421312 519746282 /nfs/dbraw/zinc/74/62/82/519746282.db2.gz OIMUDGPLAMSNQI-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079379 519993668 /nfs/dbraw/zinc/99/36/68/519993668.db2.gz UPPURYPUDNTFNC-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446620 520105812 /nfs/dbraw/zinc/10/58/12/520105812.db2.gz SISPABZRIFOORS-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCCC[N@H+](CCO)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023271 520524843 /nfs/dbraw/zinc/52/48/43/520524843.db2.gz QDNMGGVJLKITRH-AWEZNQCLSA-N 2 0 263.385 2.148 10 0 CEAERP CCC(CC)[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950262 521617189 /nfs/dbraw/zinc/61/71/89/521617189.db2.gz MZFKJQZXBKLKIK-HOTGVXAUSA-N 2 0 297.487 2.391 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000045663625 521658039 /nfs/dbraw/zinc/65/80/39/521658039.db2.gz HBGXYYVFAFTYRZ-MRXNPFEDSA-N 2 0 263.429 2.268 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@](C)(CCC)C[NH2+]C ZINC000051254251 521656857 /nfs/dbraw/zinc/65/68/57/521656857.db2.gz WDISYWMPCPGLSH-HNNXBMFYSA-N 2 0 257.466 2.286 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](CC)C[NH2+]CC(C)C ZINC000052544142 521657344 /nfs/dbraw/zinc/65/73/44/521657344.db2.gz FCAOWMALJDJQQB-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)c(C)o1 ZINC000052453615 522104914 /nfs/dbraw/zinc/10/49/14/522104914.db2.gz KGXFNGMIYGBZFR-GFCCVEGCSA-N 2 0 254.399 2.245 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055065560 522122296 /nfs/dbraw/zinc/12/22/96/522122296.db2.gz QHUHPTNRKAFRKS-GDBMZVCRSA-N 2 0 261.413 2.103 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052511507 522218712 /nfs/dbraw/zinc/21/87/12/522218712.db2.gz LSLADJJSEWSHSW-GFCCVEGCSA-N 2 0 254.374 2.244 10 0 CEAERP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400409607 533868137 /nfs/dbraw/zinc/86/81/37/533868137.db2.gz STJIYMIWMMTOAC-JQWIXIFHSA-N 2 0 254.324 2.095 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400337937 533869718 /nfs/dbraw/zinc/86/97/18/533869718.db2.gz FUNRAODCRWODHV-WCQYABFASA-N 2 0 252.789 2.470 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000052373632 518607421 /nfs/dbraw/zinc/60/74/21/518607421.db2.gz PBUDMUPTVJUQAJ-UONOGXRCSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)(C)[NH2+]CCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973441 518754780 /nfs/dbraw/zinc/75/47/80/518754780.db2.gz PFEZYMUMDYDALA-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH+](CCNC(=O)CC1CCC([NH3+])CC1)C(C)C ZINC000055125010 519646907 /nfs/dbraw/zinc/64/69/07/519646907.db2.gz JTUYDSAXEZFZQV-UHFFFAOYSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)[NH2+]CCCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000052477755 519720616 /nfs/dbraw/zinc/72/06/16/519720616.db2.gz BLUOFZGYUJMOOL-UHFFFAOYSA-N 3 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419750 519722748 /nfs/dbraw/zinc/72/27/48/519722748.db2.gz KYJNCPHWHUBWGT-HNNXBMFYSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[NH2+]C[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417084 519722992 /nfs/dbraw/zinc/72/29/92/519722992.db2.gz JXTMFLYCHPWNBI-MRXNPFEDSA-N 2 0 275.440 2.191 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479526 519723627 /nfs/dbraw/zinc/72/36/27/519723627.db2.gz BQKIOLREAFRCPU-HOTGVXAUSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083649 519726729 /nfs/dbraw/zinc/72/67/29/519726729.db2.gz WPJAKXCXBGFKGE-SFHVURJKSA-N 2 0 287.451 2.147 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654320 519727289 /nfs/dbraw/zinc/72/72/89/519727289.db2.gz OCUNMCGOPTUPTM-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000055077137 519727439 /nfs/dbraw/zinc/72/74/39/519727439.db2.gz NGJDRZHWNBGOOM-DOTOQJQBSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061654467 519727788 /nfs/dbraw/zinc/72/77/88/519727788.db2.gz VGHKPBXUTOOFQX-OAHLLOKOSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1CN1CCC[N@H+](C)CC1 ZINC000052424412 519727922 /nfs/dbraw/zinc/72/79/22/519727922.db2.gz CUCTVRHGGCHMFV-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267084 519727929 /nfs/dbraw/zinc/72/79/29/519727929.db2.gz HGCCCCRZGDOSAR-QGZVFWFLSA-N 2 0 273.424 2.105 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)OCC[NH+]1CCCCC1 ZINC000052670632 519815894 /nfs/dbraw/zinc/81/58/94/519815894.db2.gz YVHGKPMGXGMJCP-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(C)C(C)(C)CC)CC1 ZINC000069429512 519842295 /nfs/dbraw/zinc/84/22/95/519842295.db2.gz UVAUOGMHBOJXNX-UHFFFAOYSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203371 519859401 /nfs/dbraw/zinc/85/94/01/519859401.db2.gz RQUFSAYDOBQAID-QGZVFWFLSA-N 2 0 275.440 2.276 10 0 CEAERP CCC[NH+]1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052422127 519859493 /nfs/dbraw/zinc/85/94/93/519859493.db2.gz FSGWYDDFVUCXLF-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH2+]CC)c2ccccc2)CC1 ZINC000052422095 519859807 /nfs/dbraw/zinc/85/98/07/519859807.db2.gz VSHKJWDPJPGRJX-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@H+](C)C1 ZINC000054602338 519910222 /nfs/dbraw/zinc/91/02/22/519910222.db2.gz DCQIACZUZLKJQD-WTXIUTQJSA-N 2 0 265.445 2.076 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CCOC)[C@@H](C)CC)CCOCC1 ZINC000052183548 519912900 /nfs/dbraw/zinc/91/29/00/519912900.db2.gz LLWJYSFFFUBHKI-HNNXBMFYSA-N 2 0 286.460 2.140 10 0 CEAERP CCC[NH2+]CC[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000052544078 519919449 /nfs/dbraw/zinc/91/94/49/519919449.db2.gz KDDAKPQTUKTEDU-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052573187 519919490 /nfs/dbraw/zinc/91/94/90/519919490.db2.gz MALKNGYGFGQCNT-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]CCc1c(C)nc(CC[NH+](CC)CC)nc1C ZINC000054838200 519927622 /nfs/dbraw/zinc/92/76/22/519927622.db2.gz WGFKJLOLJQROOB-UHFFFAOYSA-N 2 0 278.444 2.130 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419387 519977338 /nfs/dbraw/zinc/97/73/38/519977338.db2.gz NMAPPXIBEYSIDW-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)oc1C ZINC000055082749 519991590 /nfs/dbraw/zinc/99/15/90/519991590.db2.gz QNTYTBJTFMEBIX-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP CC[NH2+]Cc1cnc(N2CC[NH+]([C@H](C)CC)CC2)s1 ZINC000055076197 520015827 /nfs/dbraw/zinc/01/58/27/520015827.db2.gz BYXFUAWMWOWMOT-GFCCVEGCSA-N 2 0 282.457 2.173 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N(C)[C@@H]2CCC[N@H+](C)C2)s1 ZINC000054905613 520079381 /nfs/dbraw/zinc/07/93/81/520079381.db2.gz OLPAUTCEFGJOTJ-NWDGAFQWSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCC(O)CC1 ZINC000054559437 520121992 /nfs/dbraw/zinc/12/19/92/520121992.db2.gz RJGNQFHPBYIITM-ZMSDIMECSA-N 2 0 282.472 2.494 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912347 520130819 /nfs/dbraw/zinc/13/08/19/520130819.db2.gz PGMDTASRSHWLLP-KRWDZBQOSA-N 2 0 289.423 2.026 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052061386 520183631 /nfs/dbraw/zinc/18/36/31/520183631.db2.gz RJNXIRIXCLHHLJ-GOEBONIOSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C(C)C)no1)[C@@H](C)COC ZINC000052504847 521288612 /nfs/dbraw/zinc/28/86/12/521288612.db2.gz ZLCYFRSZXNUKGA-LBPRGKRZSA-N 2 0 269.389 2.029 10 0 CEAERP CCC(C)(C)[N@H+](C)CCOc1ccc(C(N)=[NH2+])cc1 ZINC000069435584 521301247 /nfs/dbraw/zinc/30/12/47/521301247.db2.gz XEGGKDKUECXKSJ-UHFFFAOYSA-N 2 0 263.385 2.470 10 0 CEAERP CC[N@H+]([C@@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017410 521472132 /nfs/dbraw/zinc/47/21/32/521472132.db2.gz CXVLMJSRWURPCO-ZFWWWQNUSA-N 2 0 250.386 2.433 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017324 521566268 /nfs/dbraw/zinc/56/62/68/521566268.db2.gz GDERUCAAAOAKMC-QGZVFWFLSA-N 2 0 275.440 2.493 10 0 CEAERP CCC(CC)[C@@H](C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000055064559 521603203 /nfs/dbraw/zinc/60/32/03/521603203.db2.gz GSMYPNUJMMXGGU-UKRRQHHQSA-N 2 0 255.450 2.166 10 0 CEAERP CCC(CC)[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078263 521616081 /nfs/dbraw/zinc/61/60/81/521616081.db2.gz SJVYBVMHUVLZFK-HNNXBMFYSA-N 2 0 255.450 2.024 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NCC[NH+]2CCCCC2)C1 ZINC000049574773 521650797 /nfs/dbraw/zinc/65/07/97/521650797.db2.gz AWQODOAGEKOPEV-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+]1CCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC1 ZINC000069374293 521672435 /nfs/dbraw/zinc/67/24/35/521672435.db2.gz IJXQZJQOIZDRPF-UHFFFAOYSA-N 2 0 293.377 2.074 10 0 CEAERP C[NH+](C)CCOCc1occc1C[NH2+]C(C)(C)C ZINC000052669541 521795387 /nfs/dbraw/zinc/79/53/87/521795387.db2.gz YBBIHJZDNCWBEY-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000061643550 521843283 /nfs/dbraw/zinc/84/32/83/521843283.db2.gz AZLVUTYGXUMVKA-SOUVJXGZSA-N 2 0 253.434 2.063 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000052203742 521933079 /nfs/dbraw/zinc/93/30/79/521933079.db2.gz QTQYWXNGFDUSPV-GOSISDBHSA-N 2 0 287.451 2.276 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642789 521954224 /nfs/dbraw/zinc/95/42/24/521954224.db2.gz FHIGDRGGPQZTNF-WBVHZDCISA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)[C@@H](C)CC(C)C)CCOCC1 ZINC000052197700 521970030 /nfs/dbraw/zinc/97/00/30/521970030.db2.gz VXCRNPCURSVQTQ-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+]CCCCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417246 521995996 /nfs/dbraw/zinc/99/59/96/521995996.db2.gz JYOMYEICQCAMIF-UHFFFAOYSA-N 2 0 292.423 2.452 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547369 522091925 /nfs/dbraw/zinc/09/19/25/522091925.db2.gz NFIZADYZNAGLOQ-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CCC[C@H]1C[NH+](C)C ZINC000061646067 522113636 /nfs/dbraw/zinc/11/36/36/522113636.db2.gz MTIHPIKETGHNDD-AWEZNQCLSA-N 2 0 265.376 2.076 10 0 CEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCCSCC2)cc1 ZINC000052371134 522118466 /nfs/dbraw/zinc/11/84/66/522118466.db2.gz XTJSCUXRWROMBJ-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065468 522123423 /nfs/dbraw/zinc/12/34/23/522123423.db2.gz BVCRINMZTUCKAD-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625177 522129881 /nfs/dbraw/zinc/12/98/81/522129881.db2.gz XPZZCSJYIXTGGL-SJLPKXTDSA-N 2 0 289.467 2.363 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055064852 522130408 /nfs/dbraw/zinc/13/04/08/522130408.db2.gz DPMUELFPSOFLGP-IUODEOHRSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000055068679 522134691 /nfs/dbraw/zinc/13/46/91/522134691.db2.gz WFGSHARMHBJOPR-CQSZACIVSA-N 2 0 261.413 2.327 10 0 CEAERP C[NH2+]Cc1ccccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062941320 522135892 /nfs/dbraw/zinc/13/58/92/522135892.db2.gz WXFGFVQSACONBZ-OAHLLOKOSA-N 2 0 259.397 2.081 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccnc(C[NH2+]C3CC3)c2)CC1 ZINC000055073321 522137147 /nfs/dbraw/zinc/13/71/47/522137147.db2.gz DZJZLQWFXRITLY-CQSZACIVSA-N 2 0 288.439 2.254 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049562084 522335161 /nfs/dbraw/zinc/33/51/61/522335161.db2.gz HOBUVBRLOBJDMB-OLZOCXBDSA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000055078916 522354974 /nfs/dbraw/zinc/35/49/74/522354974.db2.gz RGTFWNZHHVVXKY-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653641 522491077 /nfs/dbraw/zinc/49/10/77/522491077.db2.gz SYTMSAZBGLXQJM-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](C[C@@H]1CCCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182391 523034834 /nfs/dbraw/zinc/03/48/34/523034834.db2.gz KLOIONLKLGIGMC-INIZCTEOSA-N 2 0 296.455 2.036 10 0 CEAERP C[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)[C@@H]1CCSC1 ZINC000052453603 523079334 /nfs/dbraw/zinc/07/93/34/523079334.db2.gz CVFIVNBYAVCOOO-RDBSUJKOSA-N 2 0 286.485 2.359 10 0 CEAERP C[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCOCC1 ZINC000052481268 523146834 /nfs/dbraw/zinc/14/68/34/523146834.db2.gz PBELXTNDZVTPBV-LSDHHAIUSA-N 2 0 284.444 2.033 10 0 CEAERP CN1CCC([N@H+](C)Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052419834 523158811 /nfs/dbraw/zinc/15/88/11/523158811.db2.gz VCESXHXXBXXKHA-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP COCCC[N@H+](CCCCC[NH2+]CC(C)C)CCOC ZINC000052543294 523241833 /nfs/dbraw/zinc/24/18/33/523241833.db2.gz GWUPRYDRSQTWOC-UHFFFAOYSA-N 2 0 288.476 2.387 10 0 CEAERP CC[C@@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CC[N@@H+]1C ZINC000069182948 523472965 /nfs/dbraw/zinc/47/29/65/523472965.db2.gz QCHNPXYVABSUQP-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@@H]1CCC[N@H+](C)C1 ZINC000054998275 523662014 /nfs/dbraw/zinc/66/20/14/523662014.db2.gz QOLPSVBRSDUSFR-LLVKDONJSA-N 2 0 296.484 2.430 10 0 CEAERP COCC[N@H+](CCCC[NH2+]C1CC1)[C@H](C)C1CC1 ZINC000052545270 523693666 /nfs/dbraw/zinc/69/36/66/523693666.db2.gz JWDTXMYVTGCLDW-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP COc1ccc(CC[NH+]2C[C@@H](C)C[NH2+]C[C@H](C)C2)cc1 ZINC000049663488 523950530 /nfs/dbraw/zinc/95/05/30/523950530.db2.gz YYAHMXRXYQNXQS-GJZGRUSLSA-N 2 0 276.424 2.415 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055072155 523952251 /nfs/dbraw/zinc/95/22/51/523952251.db2.gz OXYOJSQBRIMVRY-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083586 523953098 /nfs/dbraw/zinc/95/30/98/523953098.db2.gz YNQSGYYAQZYHMM-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(CC)(CC)C[NH3+])CC1 ZINC000055072008 523953569 /nfs/dbraw/zinc/95/35/69/523953569.db2.gz XTDTZXMDIUOVQC-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000055065464 523954720 /nfs/dbraw/zinc/95/47/20/523954720.db2.gz RHULKWJCLUWLLF-WMLDXEAASA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@](C)(CC)C[NH2+]C)CC1 ZINC000055071827 523955207 /nfs/dbraw/zinc/95/52/07/523955207.db2.gz JQEBBDYRKQWXAV-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083395 523955414 /nfs/dbraw/zinc/95/54/14/523955414.db2.gz KEYZGGFOZBUBII-YJBOKZPZSA-N 2 0 287.451 2.117 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])cc2)CC1 ZINC000055064209 523956207 /nfs/dbraw/zinc/95/62/07/523956207.db2.gz OHMHGBGELJPVHO-AWEZNQCLSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064822 523957640 /nfs/dbraw/zinc/95/76/40/523957640.db2.gz RYRTUFCUCVWKBG-LRDDRELGSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055074950 523958110 /nfs/dbraw/zinc/95/81/10/523958110.db2.gz SWXZGTLUYTZEHK-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065566 523958382 /nfs/dbraw/zinc/95/83/82/523958382.db2.gz GIHIYDUCDUPXFH-HRCADAONSA-N 2 0 267.461 2.453 10 0 CEAERP C[NH+](C)CC1CC[NH+](CC[C@H](N)c2cccc(F)c2)CC1 ZINC000053982248 524049786 /nfs/dbraw/zinc/04/97/86/524049786.db2.gz WJDALXNBWGGIPR-KRWDZBQOSA-N 2 0 293.430 2.489 10 0 CEAERP C[NH+](C)CC1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054897115 524050142 /nfs/dbraw/zinc/05/01/42/524050142.db2.gz KFASRSQXPUQQBM-GFCCVEGCSA-N 2 0 294.468 2.257 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655238 524142993 /nfs/dbraw/zinc/14/29/93/524142993.db2.gz HLYKZQWPKJZXNO-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642867 524465324 /nfs/dbraw/zinc/46/53/24/524465324.db2.gz BZHWANRHTMFNKH-IAGOWNOFSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H](C[NH2+]C1CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484194 524733065 /nfs/dbraw/zinc/73/30/65/524733065.db2.gz GUPFYMUBGHZNAH-HNNXBMFYSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642175 524839135 /nfs/dbraw/zinc/83/91/35/524839135.db2.gz GMIOYEJXBATNJN-MAZHCROVSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052420725 524884572 /nfs/dbraw/zinc/88/45/72/524884572.db2.gz FWHIHCRUKOCVCS-KBPBESRZSA-N 2 0 293.459 2.144 10 0 CEAERP COc1ccc(OCC[NH+](C)C)c(C[NH2+]CC(C)C)c1 ZINC000062727601 524950731 /nfs/dbraw/zinc/95/07/31/524950731.db2.gz XHNFHBYHJIGRSX-UHFFFAOYSA-N 2 0 280.412 2.381 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642753 525008632 /nfs/dbraw/zinc/00/86/32/525008632.db2.gz BUVJWQIZWHRDOY-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562073 525030778 /nfs/dbraw/zinc/03/07/78/525030778.db2.gz BXAFIOGCJXEUQG-NWDGAFQWSA-N 2 0 278.400 2.168 10 0 CEAERP C[C@](CO)(CCC[NH+](CC1CC1)CC1CC1)[NH2+]C1CC1 ZINC000070336139 525140361 /nfs/dbraw/zinc/14/03/61/525140361.db2.gz RYRFQNOOCJEOPQ-QGZVFWFLSA-N 2 0 280.456 2.392 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N2CC[NH+](C(C)C)CC2)cc1C ZINC000050596680 525179683 /nfs/dbraw/zinc/17/96/83/525179683.db2.gz OIZNKMBGTJZPGR-MRXNPFEDSA-N 2 0 291.439 2.029 10 0 CEAERP COc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061642748 525351087 /nfs/dbraw/zinc/35/10/87/525351087.db2.gz JQXYZHAEXLCXGI-CVEARBPZSA-N 2 0 291.439 2.029 10 0 CEAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642806 526095808 /nfs/dbraw/zinc/09/58/08/526095808.db2.gz PYDCMHBZMMPLFG-UAGQMJEPSA-N 2 0 275.440 2.143 10 0 CEAERP Fc1ccc(CC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000049332218 526329941 /nfs/dbraw/zinc/32/99/41/526329941.db2.gz USVNILWEPFQMEC-UHFFFAOYSA-N 2 0 250.361 2.444 10 0 CEAERP [NH3+]Cc1ncccc1C[N@@H+]1CCc2ccccc2C1 ZINC000061656462 527265804 /nfs/dbraw/zinc/26/58/04/527265804.db2.gz QBRBAPRRVPHDRP-UHFFFAOYSA-N 2 0 253.349 2.099 10 0 CEAERP CCOCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400703908 529071657 /nfs/dbraw/zinc/07/16/57/529071657.db2.gz KNHFYSDADLLTKC-UONOGXRCSA-N 2 0 262.397 2.311 10 0 CEAERP CCOCc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400703911 529072252 /nfs/dbraw/zinc/07/22/52/529072252.db2.gz KNHFYSDADLLTKC-ZIAGYGMSSA-N 2 0 262.397 2.311 10 0 CEAERP CC(C)C[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000093395432 535105476 /nfs/dbraw/zinc/10/54/76/535105476.db2.gz PBMJWPCALGZHGM-UHFFFAOYSA-N 2 0 265.376 2.062 10 0 CEAERP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH2+]C)cc1)C(C)C ZINC000261838089 629267797 /nfs/dbraw/zinc/26/77/97/629267797.db2.gz WAWUYCBPBMNXIW-AWEZNQCLSA-N 2 0 291.439 2.255 10 0 CEAERP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261889572 629304044 /nfs/dbraw/zinc/30/40/44/629304044.db2.gz XIBDECDQWRTPGX-MXWKQRLJSA-N 2 0 250.308 2.259 10 0 CEAERP Cc1ccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231669915 639871931 /nfs/dbraw/zinc/87/19/31/639871931.db2.gz SQGNXNWBSIMVNB-OAHLLOKOSA-N 2 0 262.397 2.448 10 0 CEAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)c2ccccc2)C1 ZINC000245449638 639993801 /nfs/dbraw/zinc/99/38/01/639993801.db2.gz NWQIYEZJUFNBKU-NVXWUHKLSA-N 2 0 276.424 2.168 10 0 CEAERP CC(C)(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000324439897 640577809 /nfs/dbraw/zinc/57/78/09/640577809.db2.gz VKRWXGPEXLJZIO-GJZGRUSLSA-N 2 0 268.445 2.248 10 0 CEAERP CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129107260 651805182 /nfs/dbraw/zinc/80/51/82/651805182.db2.gz AIYKVXQDVPTBRQ-KBPBESRZSA-N 2 0 264.417 2.030 10 0 CEAERP C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)[C@H]1C ZINC000725264165 539212671 /nfs/dbraw/zinc/21/26/71/539212671.db2.gz DVYKWJNVEOSJPA-ZOBORPQBSA-N 2 0 252.402 2.003 10 0 CEAERP CC[NH+](CC)CCNc1cnnc2cc3c(cc21)OCO3 ZINC000113369363 344276958 /nfs/dbraw/zinc/27/69/58/344276958.db2.gz ULJUKKDNVVLKJE-UHFFFAOYSA-N 2 0 288.351 2.112 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000251756460 344637418 /nfs/dbraw/zinc/63/74/18/344637418.db2.gz LOWGFGQQCHRUFT-KDOFPFPSSA-N 2 0 285.435 2.001 10 0 CEAERP CCC1(N2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000584882630 344996574 /nfs/dbraw/zinc/99/65/74/344996574.db2.gz SFUZOWAWXFSTFX-UHFFFAOYSA-N 2 0 287.451 2.336 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCC[NH+](CC1CC1)CC1CC1 ZINC000085212465 178976370 /nfs/dbraw/zinc/97/63/70/178976370.db2.gz SDIXILYWYILVJO-MRXNPFEDSA-N 2 0 268.445 2.249 10 0 CEAERP CCC1(C)CC[NH+](CCC[C@@](C)(CO)[NH2+]C)CC1 ZINC000085212864 178977664 /nfs/dbraw/zinc/97/76/64/178977664.db2.gz CTJSAZFRHOREIK-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP CC(C)C[NH+](CCCC[C@@](C)(O)C[NH3+])CC(C)C ZINC000085300580 179010670 /nfs/dbraw/zinc/01/06/70/179010670.db2.gz HAGAIDHTMFKUJQ-OAHLLOKOSA-N 2 0 258.450 2.480 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085361426 179032771 /nfs/dbraw/zinc/03/27/71/179032771.db2.gz MQTWVHZJTAFXJU-HUUCEWRRSA-N 2 0 275.396 2.204 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000085369447 179039067 /nfs/dbraw/zinc/03/90/67/179039067.db2.gz CRUVABPBQJCNKX-HOTGVXAUSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)CNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403528 179053066 /nfs/dbraw/zinc/05/30/66/179053066.db2.gz VEXWDXAEKDEPIE-MRXNPFEDSA-N 2 0 295.471 2.003 10 0 CEAERP C[N@@H+]1CC[C@H](Cn2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606450 179100363 /nfs/dbraw/zinc/10/03/63/179100363.db2.gz BVCRIZYKUAUOQB-ZDUSSCGKSA-N 2 0 288.439 2.138 10 0 CEAERP C([C@H]1CCOC1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610597 179101165 /nfs/dbraw/zinc/10/11/65/179101165.db2.gz SZOIZTXTTPCGFX-CQSZACIVSA-N 2 0 252.402 2.021 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675588 179112655 /nfs/dbraw/zinc/11/26/55/179112655.db2.gz DBHVDRFQCJDFFW-XUXIUFHCSA-N 2 0 254.418 2.120 10 0 CEAERP CC[C@](CN)(C1CC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086120701 179235076 /nfs/dbraw/zinc/23/50/76/179235076.db2.gz STPMSMRDZVLOJE-KRWDZBQOSA-N 2 0 279.472 2.312 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H](CC(C)C)C2)CC1 ZINC000086144536 179237501 /nfs/dbraw/zinc/23/75/01/179237501.db2.gz QLCGPZYGDMDGJI-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086144742 179237878 /nfs/dbraw/zinc/23/78/78/179237878.db2.gz BALSYJOPKMWMEF-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172104 179244193 /nfs/dbraw/zinc/24/41/93/179244193.db2.gz RURXMBMRKLYMAR-YVSFHVDLSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@H]1CN[C@@H](Cc2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086174302 179245347 /nfs/dbraw/zinc/24/53/47/179245347.db2.gz ULKGADNLNFBVNH-WMZOPIPTSA-N 2 0 289.467 2.233 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+]C2(CCCCC2)C1 ZINC000086145818 179239027 /nfs/dbraw/zinc/23/90/27/179239027.db2.gz WYSKYIXBHULPOW-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217795 179249912 /nfs/dbraw/zinc/24/99/12/179249912.db2.gz GHVJUFGLJZFRSG-DLBZAZTESA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@]1(C)CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223093 179250653 /nfs/dbraw/zinc/25/06/53/179250653.db2.gz LPEHEFJTTRYPEH-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223004 179251215 /nfs/dbraw/zinc/25/12/15/179251215.db2.gz WCGVGAXCBDPSHL-JQHSSLGASA-N 2 0 293.499 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223940 179253157 /nfs/dbraw/zinc/25/31/57/179253157.db2.gz FIARODJHDJJYLD-RBSFLKMASA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227535 179254188 /nfs/dbraw/zinc/25/41/88/179254188.db2.gz GXHDLPUHTOOTLL-UAGQMJEPSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259593 179258161 /nfs/dbraw/zinc/25/81/61/179258161.db2.gz RPFHVPVYSOYITE-SQNIBIBYSA-N 2 0 291.483 2.322 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086259353 179258781 /nfs/dbraw/zinc/25/87/81/179258781.db2.gz JIHBLLIWNYCOFS-PMPSAXMXSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259674 179259542 /nfs/dbraw/zinc/25/95/42/179259542.db2.gz OITQSJXSBPMXSJ-IAGOWNOFSA-N 2 0 291.483 2.466 10 0 CEAERP C[NH+](C)CCCN1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086286969 179264611 /nfs/dbraw/zinc/26/46/11/179264611.db2.gz AJQUIFUPJIQLDP-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288753 179264786 /nfs/dbraw/zinc/26/47/86/179264786.db2.gz NZLZNLGVNODNNV-GDBMZVCRSA-N 2 0 261.413 2.334 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255753 179256768 /nfs/dbraw/zinc/25/67/68/179256768.db2.gz NYIKUNFHZDYTPY-KKUMJFAQSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)C[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086255861 179257083 /nfs/dbraw/zinc/25/70/83/179257083.db2.gz SNBXHMLRHOPULG-SOUVJXGZSA-N 2 0 255.450 2.035 10 0 CEAERP c1ccc(C[C@@H]2C[N@H+](CC[C@@H]3CCCO3)CCC[NH2+]2)cc1 ZINC000086291366 179265737 /nfs/dbraw/zinc/26/57/37/179265737.db2.gz WCGFXHDHRACFJP-MSOLQXFVSA-N 2 0 288.435 2.462 10 0 CEAERP C1C[C@@H]2[C@H](N3CCC[NH2+][C@H](C4CCCCC4)C3)CC[N@@H+]2C1 ZINC000086290903 179265755 /nfs/dbraw/zinc/26/57/55/179265755.db2.gz LRIUESLXZYMREH-RCCFBDPRSA-N 2 0 291.483 2.467 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086291533 179266051 /nfs/dbraw/zinc/26/60/51/179266051.db2.gz MFCJZMRHXRVFPM-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293044 179266732 /nfs/dbraw/zinc/26/67/32/179266732.db2.gz YLTYUEMIEVVLMW-HOTGVXAUSA-N 2 0 267.461 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086443661 179293945 /nfs/dbraw/zinc/29/39/45/179293945.db2.gz PRYJMMPSKLJAEJ-LLVKDONJSA-N 2 0 282.457 2.257 10 0 CEAERP CC[C@@H]1CN(CC[C@@H]2CCCC[N@@H+]2C)[C@@H](CC)C[NH2+]1 ZINC000086463884 179296579 /nfs/dbraw/zinc/29/65/79/179296579.db2.gz KGEHAQNIZFWTRZ-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1C[NH+]=C(NCC[N@H+](C)C2CCCC2)SC1 ZINC000086633536 179314714 /nfs/dbraw/zinc/31/47/14/179314714.db2.gz JTYYAEWLEBXZEP-LLVKDONJSA-N 2 0 255.431 2.189 10 0 CEAERP C[C@H](CN[C@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818836 179348856 /nfs/dbraw/zinc/34/88/56/179348856.db2.gz NEKOTMUPEZYDDP-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CCOC(=O)CCC[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845734 179355770 /nfs/dbraw/zinc/35/57/70/179355770.db2.gz XKQFUECFAQIYBN-CQSZACIVSA-N 2 0 270.417 2.182 10 0 CEAERP CCN(CC1CC1)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848831 179356152 /nfs/dbraw/zinc/35/61/52/179356152.db2.gz NIDIOOBCFJOHBQ-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC[C@@H]2CC)CC1 ZINC000086847392 179356917 /nfs/dbraw/zinc/35/69/17/179356917.db2.gz XIYTYSRJMWVSSR-HOTGVXAUSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842540 179352465 /nfs/dbraw/zinc/35/24/65/179352465.db2.gz GLEGWFGFMJWOFT-LSDHHAIUSA-N 2 0 256.434 2.246 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843450 179352714 /nfs/dbraw/zinc/35/27/14/179352714.db2.gz FOXOXDGDZCRGGJ-HUUCEWRRSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842537 179353529 /nfs/dbraw/zinc/35/35/29/179353529.db2.gz GLEGWFGFMJWOFT-GJZGRUSLSA-N 2 0 256.434 2.246 10 0 CEAERP CC(C)[N@@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849651 179358174 /nfs/dbraw/zinc/35/81/74/179358174.db2.gz WLYFPSPOLOACED-QGZVFWFLSA-N 2 0 295.471 2.417 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848880 179358573 /nfs/dbraw/zinc/35/85/73/179358573.db2.gz HGEVJEKOTMAPIQ-GJZGRUSLSA-N 2 0 285.501 2.017 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000086904724 179367015 /nfs/dbraw/zinc/36/70/15/179367015.db2.gz VIGKWBBKGIPPJM-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086912011 179367387 /nfs/dbraw/zinc/36/73/87/179367387.db2.gz VZVGICVIZRCRGS-WBVHZDCISA-N 2 0 279.472 2.454 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016492 179380591 /nfs/dbraw/zinc/38/05/91/179380591.db2.gz VZBUSRMXRDYEPX-AWEZNQCLSA-N 2 0 254.418 2.144 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000087245205 179404965 /nfs/dbraw/zinc/40/49/65/179404965.db2.gz HBKRFEVKLBNTOR-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(COC)c1 ZINC000088553116 179622169 /nfs/dbraw/zinc/62/21/69/179622169.db2.gz CZZJCIOGYVXDOG-JKSUJKDBSA-N 2 0 262.397 2.435 10 0 CEAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCCCC[C@@H]1C ZINC000088512574 179615564 /nfs/dbraw/zinc/61/55/64/179615564.db2.gz HRLUDXOGLZYEPN-ZNMIVQPWSA-N 2 0 256.434 2.248 10 0 CEAERP CC1(C)C[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)CC(C)(C)O1 ZINC000675054377 539704176 /nfs/dbraw/zinc/70/41/76/539704176.db2.gz VGMNCNBGPKCAQC-QWHCGFSZSA-N 2 0 254.418 2.393 10 0 CEAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355398 233176511 /nfs/dbraw/zinc/17/65/11/233176511.db2.gz OGJSLGPHCNVXEP-UOVPBQLFSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400345761 233176661 /nfs/dbraw/zinc/17/66/61/233176661.db2.gz IWDBGLRBFKZWBV-CMPLNLGQSA-N 2 0 270.323 2.376 10 0 CEAERP [NH3+]C[C@H]1CCCC[C@@H]1COCC[NH+]1CCCCC1 ZINC000089535206 179812298 /nfs/dbraw/zinc/81/22/98/179812298.db2.gz BABJOUGLHYNMDB-HUUCEWRRSA-N 2 0 254.418 2.254 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2CO)CC1 ZINC000089502891 179806086 /nfs/dbraw/zinc/80/60/86/179806086.db2.gz AXOHCNAFEKLUPS-GJZGRUSLSA-N 2 0 268.445 2.249 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000089743034 179858022 /nfs/dbraw/zinc/85/80/22/179858022.db2.gz ASPVGGUQBGVFKC-AWEZNQCLSA-N 2 0 289.423 2.467 10 0 CEAERP CC[C@H](c1ccc(C)cc1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306296 179954706 /nfs/dbraw/zinc/95/47/06/179954706.db2.gz ODADKBUDHWRALL-QGZVFWFLSA-N 2 0 273.424 2.036 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000090566018 180005322 /nfs/dbraw/zinc/00/53/22/180005322.db2.gz BEWSHMPTOUAMMA-IAGOWNOFSA-N 2 0 274.408 2.059 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)C1CCCCC1 ZINC000090566023 180005685 /nfs/dbraw/zinc/00/56/85/180005685.db2.gz CKPHMEJJSNWPOZ-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC000090566076 180005760 /nfs/dbraw/zinc/00/57/60/180005760.db2.gz VAHJOHBGKIIGNW-DLBZAZTESA-N 2 0 276.424 2.441 10 0 CEAERP C[C@]1(C[NH+]2CCC(Cc3ccccc3)CC2)COC[C@@H]1[NH3+] ZINC000090606523 180011216 /nfs/dbraw/zinc/01/12/16/180011216.db2.gz BQCNMDZPIYTUQU-ROUUACIJSA-N 2 0 288.435 2.305 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090620783 180014100 /nfs/dbraw/zinc/01/41/00/180014100.db2.gz SOAOUNGTAUKGHL-ZFWWWQNUSA-N 2 0 254.418 2.108 10 0 CEAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694404 180026305 /nfs/dbraw/zinc/02/63/05/180026305.db2.gz CPRVCVYHGFCTMK-DZGCQCFKSA-N 2 0 295.471 2.144 10 0 CEAERP CC(C)[N@@H+]1CCO[C@H](CSc2cccc(C[NH3+])c2)C1 ZINC000090870471 180049348 /nfs/dbraw/zinc/04/93/48/180049348.db2.gz KNJXGBDWGGDILE-AWEZNQCLSA-N 2 0 280.437 2.347 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874334 180050214 /nfs/dbraw/zinc/05/02/14/180050214.db2.gz MBFIDSATWZUCCB-CJNGLKHVSA-N 2 0 272.392 2.064 10 0 CEAERP C[C@H]1CC[NH2+]C(C)(C)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878333 180052414 /nfs/dbraw/zinc/05/24/14/180052414.db2.gz DVYXFIKZNFAUTB-ZFWWWQNUSA-N 2 0 274.408 2.453 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893530 180055534 /nfs/dbraw/zinc/05/55/34/180055534.db2.gz AFUUHTJRMLKWSQ-MRXNPFEDSA-N 2 0 292.398 2.451 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@H](C)CC[NH+](C)C)O2 ZINC000090897741 180057505 /nfs/dbraw/zinc/05/75/05/180057505.db2.gz QUYJJSKYNVXJHV-HIFRSBDPSA-N 2 0 262.397 2.228 10 0 CEAERP C[C@@H]1CCC[N@H+](Cc2csc(CC[NH3+])n2)[C@@H]1C ZINC000090958507 180074742 /nfs/dbraw/zinc/07/47/42/180074742.db2.gz ZYWUFAQSPKOQED-GHMZBOCLSA-N 2 0 253.415 2.265 10 0 CEAERP COCC[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000090977562 180078886 /nfs/dbraw/zinc/07/88/86/180078886.db2.gz BGSFJYNOSKVMRK-WBVHZDCISA-N 2 0 288.435 2.274 10 0 CEAERP Cc1nn(CC[NH+]2CCCC2)c(C)c1C[NH2+]CC(C)C ZINC000091002317 180083885 /nfs/dbraw/zinc/08/38/85/180083885.db2.gz KXMUMNPRMCBUPI-UHFFFAOYSA-N 2 0 278.444 2.341 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N1CCC(C(C)(C)C)CC1 ZINC000091322868 180134585 /nfs/dbraw/zinc/13/45/85/180134585.db2.gz FKUDYLVZTGNDEW-HNNXBMFYSA-N 2 0 297.487 2.330 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091449853 180157976 /nfs/dbraw/zinc/15/79/76/180157976.db2.gz ZQYWESLTUUNMSN-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CSC1(C[NH3+])CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000091473326 180165786 /nfs/dbraw/zinc/16/57/86/180165786.db2.gz IADOMEDPXGWKKC-UHFFFAOYSA-N 2 0 268.401 2.482 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)C[N@H+](C)CC1CC(O)C1 ZINC000091489229 180168600 /nfs/dbraw/zinc/16/86/00/180168600.db2.gz STMNKRIXFVCRSA-DXCHVLGVSA-N 2 0 276.424 2.286 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490575 180169939 /nfs/dbraw/zinc/16/99/39/180169939.db2.gz KTDKLRVGNSNMMB-OOJKYFRXSA-N 2 0 268.445 2.103 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@@H+]1CCCC[C@@H]1CCO ZINC000091402631 180147255 /nfs/dbraw/zinc/14/72/55/180147255.db2.gz VSVRGEWYQPGCMX-UONOGXRCSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)(C)[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091523055 180178442 /nfs/dbraw/zinc/17/84/42/180178442.db2.gz UHPRTQNJHIEBEO-ZBFHGGJFSA-N 2 0 262.397 2.360 10 0 CEAERP CCC[NH2+][C@@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCC1 ZINC000091638271 180212350 /nfs/dbraw/zinc/21/23/50/180212350.db2.gz RAGBTVBSFQYMDV-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]([C@H]1CCOC1)C1([NH+](C)C)CCCC1 ZINC000091638274 180212496 /nfs/dbraw/zinc/21/24/96/180212496.db2.gz RAGBTVBSFQYMDV-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C(C)C ZINC000091723145 180241430 /nfs/dbraw/zinc/24/14/30/180241430.db2.gz CIOIMWAFKJCMCX-CHWSQXEVSA-N 2 0 295.452 2.485 10 0 CEAERP CCC[N@H+](CC(=O)Nc1nccs1)C1CCC([NH3+])CC1 ZINC000091852455 180272859 /nfs/dbraw/zinc/27/28/59/180272859.db2.gz DPLIINDNWHUMRZ-UHFFFAOYSA-N 2 0 296.440 2.064 10 0 CEAERP CCC[N@H+]([C@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091851420 180273115 /nfs/dbraw/zinc/27/31/15/180273115.db2.gz JGJKUMHNAOKIBT-GPANFISMSA-N 2 0 267.461 2.451 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852385 180273129 /nfs/dbraw/zinc/27/31/29/180273129.db2.gz RFPPVPDMSBZHTA-QQFBHYJXSA-N 2 0 295.471 2.369 10 0 CEAERP CC[C@H]([NH3+])c1ccn(C[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091816427 180261397 /nfs/dbraw/zinc/26/13/97/180261397.db2.gz NMHRGXUJUSDFCY-CABCVRRESA-N 2 0 265.401 2.007 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@@H]2CCOC2)CC1 ZINC000091870008 180277063 /nfs/dbraw/zinc/27/70/63/180277063.db2.gz HVIXQLOOVUJEAS-NFOMZHRRSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)Cc2ncccn2)CC1 ZINC000091870125 180277398 /nfs/dbraw/zinc/27/73/98/180277398.db2.gz CDLHOSYXUDRDIE-UHFFFAOYSA-N 2 0 262.401 2.219 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(C(=O)OC)o2)CC1 ZINC000091873050 180277821 /nfs/dbraw/zinc/27/78/21/180277821.db2.gz SXVCXQKLXBNYRL-UHFFFAOYSA-N 2 0 280.368 2.029 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000091872912 180277878 /nfs/dbraw/zinc/27/78/78/180277878.db2.gz OCUIRGFYQFPLPE-FXQLRMTLSA-N 2 0 295.471 2.238 10 0 CEAERP CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872895 180278109 /nfs/dbraw/zinc/27/81/09/180278109.db2.gz SEQQGWNKXPQERT-PCKAHOCUSA-N 2 0 295.471 2.240 10 0 CEAERP CCC[NH+]1CCC(O)([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091906363 180284401 /nfs/dbraw/zinc/28/44/01/180284401.db2.gz OFIXCHKMNSHZKY-LSDHHAIUSA-N 2 0 268.445 2.379 10 0 CEAERP CC(C)C1CCC(C[NH3+])([C@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907250 180284414 /nfs/dbraw/zinc/28/44/14/180284414.db2.gz DKIOMUBNCBAOQD-PREGVCBESA-N 2 0 280.456 2.377 10 0 CEAERP CCC1CCC(C[NH3+])([C@@]2(O)CCC[N@H+](C)CC2)CC1 ZINC000091922485 180286820 /nfs/dbraw/zinc/28/68/20/180286820.db2.gz ZVPHUVPDIDWYOC-UYSNPLJNSA-N 2 0 268.445 2.379 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000092003583 180304947 /nfs/dbraw/zinc/30/49/47/180304947.db2.gz VMRIVMRDQZYIRD-KGLIPLIRSA-N 2 0 277.412 2.058 10 0 CEAERP CC[NH2+]Cc1cccc2c1ccn2C[C@H]1C[N@H+](C)CCO1 ZINC000092060166 180315528 /nfs/dbraw/zinc/31/55/28/180315528.db2.gz RPTKSDOIWTZKDP-OAHLLOKOSA-N 2 0 287.407 2.081 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000092274903 180356754 /nfs/dbraw/zinc/35/67/54/180356754.db2.gz FMMZCESBQHMAMF-QWHCGFSZSA-N 2 0 262.422 2.417 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299691 180358681 /nfs/dbraw/zinc/35/86/81/180358681.db2.gz UNLOTBSAJNLPDU-ZIAGYGMSSA-N 2 0 260.381 2.094 10 0 CEAERP Cc1nn(CC[NH+](C)C)c(C)c1[C@H](C)C[NH2+]C(C)C ZINC000092322978 180362353 /nfs/dbraw/zinc/36/23/53/180362353.db2.gz UITAECKIANZETQ-GFCCVEGCSA-N 2 0 266.433 2.163 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000092402487 180377865 /nfs/dbraw/zinc/37/78/65/180377865.db2.gz AVVDTRUZKDHMHC-VXGBXAGGSA-N 2 0 255.431 2.045 10 0 CEAERP CCCNc1cc[nH+]c(CN2CC[C@@H]([NH+](C)C)C2)c1 ZINC000092419131 180382345 /nfs/dbraw/zinc/38/23/45/180382345.db2.gz DDXSIKOWSPPXME-OAHLLOKOSA-N 2 0 262.401 2.039 10 0 CEAERP Clc1ccc(CC[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000107792291 186191054 /nfs/dbraw/zinc/19/10/54/186191054.db2.gz LXTGQHOPIZJLGP-ZDUSSCGKSA-N 2 0 252.789 2.472 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H]1c1nc(CC[NH+](CC)CC)no1 ZINC000109496092 186257024 /nfs/dbraw/zinc/25/70/24/186257024.db2.gz CVYBPTWUANEQKE-CHWSQXEVSA-N 2 0 280.416 2.200 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000109684939 186268396 /nfs/dbraw/zinc/26/83/96/186268396.db2.gz ZANOPPNHRJQQHK-QLFBSQMISA-N 2 0 282.428 2.312 10 0 CEAERP C[NH2+]Cc1sc(N2CC[C@H]([NH+](C)C)C2)nc1C(C)(C)C ZINC000110275347 186289441 /nfs/dbraw/zinc/28/94/41/186289441.db2.gz PGYQHSUGZCDUPN-NSHDSACASA-N 2 0 296.484 2.300 10 0 CEAERP [NH3+]C1CCC(C[N@@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC000110371201 186294516 /nfs/dbraw/zinc/29/45/16/186294516.db2.gz HXWGDNLVJFWREH-GPANFISMSA-N 2 0 265.445 2.064 10 0 CEAERP CCC1(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)CC[NH2+]CC1 ZINC000110371228 186294566 /nfs/dbraw/zinc/29/45/66/186294566.db2.gz CYJYEBVMJZZZFY-MRXNPFEDSA-N 2 0 279.472 2.326 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000110370666 186294843 /nfs/dbraw/zinc/29/48/43/186294843.db2.gz VBEIGQXKLYNMJU-NXOAAHMSSA-N 2 0 279.472 2.323 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H](C)CC2)CCOCC1 ZINC000110810560 186326297 /nfs/dbraw/zinc/32/62/97/186326297.db2.gz SHDYFGLMUDEZRC-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CC2CC[NH+](C)CC2)cc1F ZINC000110977958 186338585 /nfs/dbraw/zinc/33/85/85/186338585.db2.gz HSNFWILHLXKCJY-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1F ZINC000110976861 186339399 /nfs/dbraw/zinc/33/93/99/186339399.db2.gz JFMCBZIWKPESEA-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705134 186313625 /nfs/dbraw/zinc/31/36/25/186313625.db2.gz DIYIAOHSPUBUSE-YPMHNXCESA-N 2 0 267.442 2.162 10 0 CEAERP C[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1(C)C ZINC000110742761 186318439 /nfs/dbraw/zinc/31/84/39/186318439.db2.gz ZKQQIVGOZKEKQJ-HNNXBMFYSA-N 2 0 289.423 2.019 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757974 186320229 /nfs/dbraw/zinc/32/02/29/186320229.db2.gz VEYBTLFNJSWPOB-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110746964 186320276 /nfs/dbraw/zinc/32/02/76/186320276.db2.gz BRKNTRCIBJSTLB-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCN(Cc2oc3ccccc3c2C[NH3+])C[C@@H]1C ZINC000110752412 186320437 /nfs/dbraw/zinc/32/04/37/186320437.db2.gz ALBYYHHHRTUTLB-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755140 186320977 /nfs/dbraw/zinc/32/09/77/186320977.db2.gz GSYFDBFHHSMZNI-HNNXBMFYSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755491 186321311 /nfs/dbraw/zinc/32/13/11/186321311.db2.gz FVXGOMYLQKNNEF-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]Cc1oc(CN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110755325 186321457 /nfs/dbraw/zinc/32/14/57/186321457.db2.gz ZWCIJUQSUPMJGD-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CC[N@@H+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)C[C@@H]1C ZINC000110752541 186321707 /nfs/dbraw/zinc/32/17/07/186321707.db2.gz MIGGZLHFHNEQIJ-HNNXBMFYSA-N 2 0 287.451 2.465 10 0 CEAERP CC[NH2+]Cc1ccccc1CN(C)CCC[NH+](C)C ZINC000111150368 186360374 /nfs/dbraw/zinc/36/03/74/186360374.db2.gz BXIFMIFPEBFXDJ-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000111164420 186363371 /nfs/dbraw/zinc/36/33/71/186363371.db2.gz VFTGSTYFHIXNQP-CQSZACIVSA-N 2 0 254.418 2.123 10 0 CEAERP CCOCC[N@H+](CC)[C@H](CC[NH3+])c1ccccc1 ZINC000111117253 186354654 /nfs/dbraw/zinc/35/46/54/186354654.db2.gz IEHUELRJOZKVLQ-OAHLLOKOSA-N 2 0 250.386 2.435 10 0 CEAERP CCOCC[N@H+](CC)CCCOc1cccc(C[NH3+])c1 ZINC000111117242 186355679 /nfs/dbraw/zinc/35/56/79/186355679.db2.gz XHBABVWUYCEVJX-UHFFFAOYSA-N 2 0 280.412 2.273 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C ZINC000111130923 186356022 /nfs/dbraw/zinc/35/60/22/186356022.db2.gz LPQCLIBDUUAOCG-STQMWFEESA-N 2 0 269.458 2.328 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000111132471 186356166 /nfs/dbraw/zinc/35/61/66/186356166.db2.gz MQSMHLVYMHNLNI-ZDUSSCGKSA-N 2 0 290.238 2.487 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000111131687 186356252 /nfs/dbraw/zinc/35/62/52/186356252.db2.gz UCZKTVKHRMZXFY-SNVBAGLBSA-N 2 0 275.849 2.285 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000111133608 186356814 /nfs/dbraw/zinc/35/68/14/186356814.db2.gz BKQHOJYFHFBLAS-UHFFFAOYSA-N 2 0 269.477 2.414 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1C ZINC000111135708 186356951 /nfs/dbraw/zinc/35/69/51/186356951.db2.gz RAJOLOXEDZMQMD-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N(C)CCC[NH+](C)C ZINC000111135966 186357678 /nfs/dbraw/zinc/35/76/78/186357678.db2.gz HBKAROUHMCLFEV-GJZGRUSLSA-N 2 0 257.466 2.427 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000111140753 186358082 /nfs/dbraw/zinc/35/80/82/186358082.db2.gz ZDWQMWSPQNPFSE-UHFFFAOYSA-N 2 0 279.403 2.466 10 0 CEAERP CCC[NH2+]Cc1oc(CN(C)CCC[NH+](C)C)cc1C ZINC000111150533 186359996 /nfs/dbraw/zinc/35/99/96/186359996.db2.gz OPDDDVGCBGCIIX-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP C[N@H+](C[C@@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111171774 186365077 /nfs/dbraw/zinc/36/50/77/186365077.db2.gz NKSSGKCLGUEIKG-KKUMJFAQSA-N 2 0 254.418 2.252 10 0 CEAERP CCCC1CC[NH+](C[C@]2(C[NH3+])CCCOC2)CC1 ZINC000111326012 186398610 /nfs/dbraw/zinc/39/86/10/186398610.db2.gz UNMSNBJMNZCOQW-OAHLLOKOSA-N 2 0 254.418 2.254 10 0 CEAERP CC(C)C[N@H+](C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324866 186399286 /nfs/dbraw/zinc/39/92/86/186399286.db2.gz UHWJGLPXBDOTRO-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[C@@H](C)NC(=O)C[NH+]1CCC(C[NH2+]CC(C)C)CC1 ZINC000111697409 186447074 /nfs/dbraw/zinc/44/70/74/186447074.db2.gz KCFJNHNQPXTVES-OAHLLOKOSA-N 2 0 297.487 2.249 10 0 CEAERP CCN1CCC[C@@H]1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000092633500 539827661 /nfs/dbraw/zinc/82/76/61/539827661.db2.gz FOMQVYUYRGLEBL-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261922550 283209591 /nfs/dbraw/zinc/20/95/91/283209591.db2.gz VFOHZAJFKREYGC-HNNXBMFYSA-N 2 0 297.487 2.474 10 0 CEAERP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000336191959 213010820 /nfs/dbraw/zinc/01/08/20/213010820.db2.gz GIIICJXVTFCDCT-CQSZACIVSA-N 2 0 258.369 2.137 10 0 CEAERP c1ccc(C[N@@H+]2CCCCC[C@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023069 369058989 /nfs/dbraw/zinc/05/89/89/369058989.db2.gz RLMADAWTROWQGQ-ROUUACIJSA-N 2 0 287.451 2.383 10 0 CEAERP Cc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000248730174 371239677 /nfs/dbraw/zinc/23/96/77/371239677.db2.gz MLMVWFSMCTVGJE-LSDHHAIUSA-N 2 0 299.418 2.435 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCSc3ccccc3)C[C@@H]12 ZINC000261558240 371645944 /nfs/dbraw/zinc/64/59/44/371645944.db2.gz DBNBYFAWUNPPNB-BPLDGKMQSA-N 2 0 262.422 2.448 10 0 CEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261579377 371659542 /nfs/dbraw/zinc/65/95/42/371659542.db2.gz DTURRIKELYQHGP-DDUYRFODSA-N 2 0 260.381 2.425 10 0 CEAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003785 371797818 /nfs/dbraw/zinc/79/78/18/371797818.db2.gz UKEYCQTYCHSDNV-RRFJBIMHSA-N 2 0 260.381 2.173 10 0 CEAERP O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262025074 371803432 /nfs/dbraw/zinc/80/34/32/371803432.db2.gz WOCWNZYLNNRQDS-CZUORRHYSA-N 2 0 296.361 2.072 10 0 CEAERP C[C@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@H]1[NH3+] ZINC000262089366 371821939 /nfs/dbraw/zinc/82/19/39/371821939.db2.gz UROOZXNVSBRPEW-WMLDXEAASA-N 2 0 297.402 2.440 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454153 373125152 /nfs/dbraw/zinc/12/51/52/373125152.db2.gz JALHTSLBIDHLKY-XHSDSOJGSA-N 3 0 269.477 2.475 10 0 CEAERP CSCC1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400748300 295588624 /nfs/dbraw/zinc/58/86/24/295588624.db2.gz UYXMVDJUJHERPB-AHPWVWPOSA-N 2 0 256.459 2.496 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239176 184606877 /nfs/dbraw/zinc/60/68/77/184606877.db2.gz JCMJJFNLPFWAIG-SOUVJXGZSA-N 2 0 256.434 2.390 10 0 CEAERP CC(C)c1nc(N(C)CC[NH+]2CCCC2)sc1C[NH3+] ZINC000093000323 184641873 /nfs/dbraw/zinc/64/18/73/184641873.db2.gz ZTNCCWYDJQLXGO-UHFFFAOYSA-N 2 0 282.457 2.257 10 0 CEAERP CC(C)C[NH+](CC[C@H]1CCC[C@]1(O)C[NH3+])CC(C)C ZINC000093626235 184698251 /nfs/dbraw/zinc/69/82/51/184698251.db2.gz IJQKPIGTHLPQQQ-CVEARBPZSA-N 2 0 270.461 2.480 10 0 CEAERP CCC1CCC(C[NH3+])(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000094458979 184804464 /nfs/dbraw/zinc/80/44/64/184804464.db2.gz GOTSPBZYRRQUKH-HWOWSKLDSA-N 2 0 265.445 2.064 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094459601 184804676 /nfs/dbraw/zinc/80/46/76/184804676.db2.gz QHTGJAZYDCMMQH-ZACQAIPSSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@H]1[C@H](C[N@H+](C)CC(C)(C)O)CCCC1(C)C ZINC000094289004 184775799 /nfs/dbraw/zinc/77/57/99/184775799.db2.gz HOTJGROZNHJRIL-KBPBESRZSA-N 2 0 270.461 2.494 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094466045 184806212 /nfs/dbraw/zinc/80/62/12/184806212.db2.gz SGEBOJNJJUYORF-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+][C@H](CSCC[NH+](C)C)c1ccc(OC)cc1OC ZINC000095021884 184917868 /nfs/dbraw/zinc/91/78/68/184917868.db2.gz XIRVOEPXBWCZID-CQSZACIVSA-N 2 0 298.452 2.259 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C[NH+]1CCN(c2ccccn2)CC1 ZINC000087704509 135050994 /nfs/dbraw/zinc/05/09/94/135050994.db2.gz YKBLCLYRJJVJIF-CVEARBPZSA-N 2 0 290.455 2.357 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000091431498 135069906 /nfs/dbraw/zinc/06/99/06/135069906.db2.gz DTZYRSRPJISWKX-JSGCOSHPSA-N 2 0 279.403 2.246 10 0 CEAERP C[C@@H](C[NH3+])[C@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000093068451 135079233 /nfs/dbraw/zinc/07/92/33/135079233.db2.gz RXOHOORKVFNUHE-STQMWFEESA-N 2 0 281.831 2.445 10 0 CEAERP C[C@@H]([NH3+])Cc1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444575 135088610 /nfs/dbraw/zinc/08/86/10/135088610.db2.gz HISYOXXVTXEVLG-GDBMZVCRSA-N 2 0 273.424 2.251 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000423027995 394885016 /nfs/dbraw/zinc/88/50/16/394885016.db2.gz SETUTBIUCYQKRE-DGAVXFQQSA-N 2 0 254.418 2.168 10 0 CEAERP CO[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189695 395161848 /nfs/dbraw/zinc/16/18/48/395161848.db2.gz IHIAWLZKSJYLFI-CVEARBPZSA-N 2 0 262.397 2.448 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396621711 395217242 /nfs/dbraw/zinc/21/72/42/395217242.db2.gz VCXRSPMVTRCEPQ-AHCXZYCDSA-N 2 0 287.451 2.237 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000218920145 400309189 /nfs/dbraw/zinc/30/91/89/400309189.db2.gz JBOZRQSRCAQTKV-JKSUJKDBSA-N 2 0 295.471 2.083 10 0 CEAERP CCn1cnnc1[C@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000191587891 153183031 /nfs/dbraw/zinc/18/30/31/153183031.db2.gz GPRVWIACVGXJAW-HNNXBMFYSA-N 2 0 293.459 2.209 10 0 CEAERP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000195178386 153274977 /nfs/dbraw/zinc/27/49/77/153274977.db2.gz LXDMCDGOSQYJHO-IRXDYDNUSA-N 2 0 298.471 2.114 10 0 CEAERP C[NH2+][C@H](C)Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000005920569 170155641 /nfs/dbraw/zinc/15/56/41/170155641.db2.gz BHINADVDXKAGMD-CYBMUJFWSA-N 2 0 250.386 2.168 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179616 171044408 /nfs/dbraw/zinc/04/44/08/171044408.db2.gz DEDDXMNTNGLNBH-OAHLLOKOSA-N 2 0 281.831 2.367 10 0 CEAERP CC[C@H](C)C[C@](CC)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217720 171080419 /nfs/dbraw/zinc/08/04/19/171080419.db2.gz CBYXFOQSWRYYQD-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH+](C)[C@@H](CC[NH3+])COc1cccc2c1CCCC2 ZINC000020401609 171181769 /nfs/dbraw/zinc/18/17/69/171181769.db2.gz IQNFFIMYJHORQL-AWEZNQCLSA-N 2 0 262.397 2.223 10 0 CEAERP Cc1ccc(OC[C@H](CC[NH3+])[NH+]2CCCC2)cc1C ZINC000020402089 171182190 /nfs/dbraw/zinc/18/21/90/171182190.db2.gz JVJCPNZCXYOXBQ-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP Cc1cccc(C)c1OC[C@@H](CC[NH3+])[NH+]1CCCC1 ZINC000020402067 171182459 /nfs/dbraw/zinc/18/24/59/171182459.db2.gz RPKDTFHQGRTRAI-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP [NH3+]CC[C@@H](COc1cccc(F)c1)[NH+]1CCCCC1 ZINC000020402232 171182523 /nfs/dbraw/zinc/18/25/23/171182523.db2.gz NCYHQEPQEPMABT-AWEZNQCLSA-N 2 0 266.360 2.408 10 0 CEAERP [NH3+]Cc1ccccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000022153951 171360701 /nfs/dbraw/zinc/36/07/01/171360701.db2.gz ZWZABJOWXWNZRX-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022211704 171374029 /nfs/dbraw/zinc/37/40/29/171374029.db2.gz UPNZHPTZVINGTP-MJBXVCDLSA-N 2 0 289.423 2.450 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2c(C)cc(C)cc2C)CC1 ZINC000022217243 171375966 /nfs/dbraw/zinc/37/59/66/171375966.db2.gz QHERCRVULGITMQ-INIZCTEOSA-N 2 0 275.440 2.249 10 0 CEAERP CCOC1CC[NH+](CCCOc2cccc(C[NH3+])c2)CC1 ZINC000040678475 174374886 /nfs/dbraw/zinc/37/48/86/174374886.db2.gz FXHUBTAKGXMSAJ-UHFFFAOYSA-N 2 0 292.423 2.415 10 0 CEAERP CC[C@@H](CC[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693637 174377307 /nfs/dbraw/zinc/37/73/07/174377307.db2.gz AHNCZEAGRZHLTI-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H]2CCc3ccccc3[C@H]2N)CC1 ZINC000042392630 174707440 /nfs/dbraw/zinc/70/74/40/174707440.db2.gz NLTDHDVWNUOASO-ZWKOTPCHSA-N 2 0 287.451 2.275 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1C ZINC000043314884 175004760 /nfs/dbraw/zinc/00/47/60/175004760.db2.gz KUJZZCBCJXDSML-GOSISDBHSA-N 2 0 287.451 2.331 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335945 175012230 /nfs/dbraw/zinc/01/22/30/175012230.db2.gz PPZNCLRGAZBDOL-GOEBONIOSA-N 2 0 279.428 2.332 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C1CC[NH+](C)CC1 ZINC000043363797 175024029 /nfs/dbraw/zinc/02/40/29/175024029.db2.gz SWEWWNCYVCGELL-ZBFHGGJFSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH+]1CCN([C@H]2Cc3ccccc3[C@H]2[NH2+]CC)CC1 ZINC000043805535 175107690 /nfs/dbraw/zinc/10/76/90/175107690.db2.gz AEVRYQRPKVQRBZ-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cc2ccccc2o1 ZINC000043818245 175113005 /nfs/dbraw/zinc/11/30/05/175113005.db2.gz RBUZWXQDLANOQS-OAHLLOKOSA-N 2 0 287.407 2.331 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818022 175113145 /nfs/dbraw/zinc/11/31/45/175113145.db2.gz MOJPIQRJRKXYRU-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897563 175120593 /nfs/dbraw/zinc/12/05/93/175120593.db2.gz QSTXDZGLZUIQCQ-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903800 175122513 /nfs/dbraw/zinc/12/25/13/175122513.db2.gz HBSDFTPGKDHSLH-ZNMIVQPWSA-N 2 0 282.428 2.135 10 0 CEAERP CC[NH2+][C@@H](C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907883 175123230 /nfs/dbraw/zinc/12/32/30/175123230.db2.gz UQDVEKKBEWGLCA-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000043967719 175129081 /nfs/dbraw/zinc/12/90/81/175129081.db2.gz URDVJNLAJCXBBC-GOSISDBHSA-N 2 0 287.451 2.426 10 0 CEAERP CCC[NH2+][C@@H](C)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970811 175131935 /nfs/dbraw/zinc/13/19/35/175131935.db2.gz ZPKCYHXQWSRFFI-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000044794781 175254622 /nfs/dbraw/zinc/25/46/22/175254622.db2.gz MJDVDQOBRPKFGB-CQSZACIVSA-N 2 0 283.460 2.132 10 0 CEAERP CCC[NH+](CCC)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045378640 175367345 /nfs/dbraw/zinc/36/73/45/175367345.db2.gz STORSOAVHXQOCV-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C1CCCCC1 ZINC000045379125 175368792 /nfs/dbraw/zinc/36/87/92/175368792.db2.gz MIMOIIRZGVKNEP-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381725 175370339 /nfs/dbraw/zinc/37/03/39/175370339.db2.gz NLTWYSABAKSWEM-MRXNPFEDSA-N 2 0 285.476 2.378 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384326 175371084 /nfs/dbraw/zinc/37/10/84/175371084.db2.gz PZTUUXDREUTGJY-HOCLYGCPSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387406 175372828 /nfs/dbraw/zinc/37/28/28/175372828.db2.gz NEMCEJJAKOFKIJ-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP CCC(CC)[N@H+](C)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045391389 175374837 /nfs/dbraw/zinc/37/48/37/175374837.db2.gz JUKYKZIZYNABPI-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419336 175377897 /nfs/dbraw/zinc/37/78/97/175377897.db2.gz RDYPBEHWWBFYTM-LZWOXQAQSA-N 2 0 282.428 2.169 10 0 CEAERP CC[NH2+][C@@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420423 175378612 /nfs/dbraw/zinc/37/86/12/175378612.db2.gz KFGFXGOALIDONG-INIZCTEOSA-N 2 0 285.476 2.234 10 0 CEAERP CCCC[N@H+](CCCC[C@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045421743 175380627 /nfs/dbraw/zinc/38/06/27/175380627.db2.gz NAPYYWPYWAVCJS-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP C[C@@H]1C[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000070368283 175898074 /nfs/dbraw/zinc/89/80/74/175898074.db2.gz JGVRWZGXDKKKSR-YUELXQCFSA-N 2 0 252.402 2.018 10 0 CEAERP C[C@H]1CCC[C@@H]([NH+]2CCN(CCCCC[NH3+])CC2)C1 ZINC000071147470 176043259 /nfs/dbraw/zinc/04/32/59/176043259.db2.gz DFGUEQGLJWGHKJ-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188950 176063502 /nfs/dbraw/zinc/06/35/02/176063502.db2.gz YCIUODDSONHDOM-LVQVYYBASA-N 2 0 267.461 2.022 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188868 176063517 /nfs/dbraw/zinc/06/35/17/176063517.db2.gz PXVQIFMVLGKBSH-QLFBSQMISA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188891 176063782 /nfs/dbraw/zinc/06/37/82/176063782.db2.gz QEEHYHXHMLUPEX-JLSDUUJJSA-N 2 0 287.451 2.145 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H](CC(N)=S)c1ccccc1 ZINC000071189185 176064170 /nfs/dbraw/zinc/06/41/70/176064170.db2.gz RYQYBDAULNYYKF-HIFRSBDPSA-N 2 0 291.464 2.287 10 0 CEAERP CC(C)[C@@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190575 176066134 /nfs/dbraw/zinc/06/61/34/176066134.db2.gz DRGJHKJCSCSYOW-FPCVCCKLSA-N 2 0 268.445 2.056 10 0 CEAERP CC[C@H]([C@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190586 176066525 /nfs/dbraw/zinc/06/65/25/176066525.db2.gz FLUJEAHBDVTLQY-DJIMGWMZSA-N 2 0 276.424 2.382 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191396 176069669 /nfs/dbraw/zinc/06/96/69/176069669.db2.gz JBMZUBNTWXKQOX-OWCLPIDISA-N 2 0 267.461 2.038 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192029 176071144 /nfs/dbraw/zinc/07/11/44/176071144.db2.gz YCVHHDDVCPRMCQ-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CN(Cc1oc2ccccc2c1C[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071191819 176071189 /nfs/dbraw/zinc/07/11/89/176071189.db2.gz WTPKTWWDIWMWIH-CYBMUJFWSA-N 2 0 287.407 2.275 10 0 CEAERP C[C@H]1CCC[C@@H]([NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071192377 176073495 /nfs/dbraw/zinc/07/34/95/176073495.db2.gz CZHOQXJZHIEZOF-ARFHVFGLSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000071197259 176076571 /nfs/dbraw/zinc/07/65/71/176076571.db2.gz AFFGBELZBDBBIZ-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200519 176077668 /nfs/dbraw/zinc/07/76/68/176077668.db2.gz IZBVKUUMDZGUMK-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201178 176077854 /nfs/dbraw/zinc/07/78/54/176077854.db2.gz XSKVCNFHAKAXQD-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201501 176078190 /nfs/dbraw/zinc/07/81/90/176078190.db2.gz TZPUNVNPGLJLAA-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP COCC[N@@H+](Cc1ccc(F)cc1C[NH3+])CC(C)C ZINC000071263408 176096609 /nfs/dbraw/zinc/09/66/09/176096609.db2.gz QJPHMONORAGLHQ-UHFFFAOYSA-N 2 0 268.376 2.389 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267894 176101681 /nfs/dbraw/zinc/10/16/81/176101681.db2.gz OOPWVGMDMLJULN-NSHDSACASA-N 2 0 281.375 2.357 10 0 CEAERP CCC[NH2+]CCCCCC[N@@H+]1CC[C@@H](N(C)C)C1 ZINC000071289977 176110281 /nfs/dbraw/zinc/11/02/81/176110281.db2.gz HYVZCGFHCORMKK-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401177 176153374 /nfs/dbraw/zinc/15/33/74/176153374.db2.gz AAOLZPYWPUKKGG-HOCLYGCPSA-N 2 0 289.423 2.067 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079206179 177445571 /nfs/dbraw/zinc/44/55/71/177445571.db2.gz JHWWYBXPJCEMPV-HNNXBMFYSA-N 2 0 285.476 2.377 10 0 CEAERP CC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000079212058 177447586 /nfs/dbraw/zinc/44/75/86/177447586.db2.gz WCDUKUVBBZWURR-CVEARBPZSA-N 2 0 297.487 2.378 10 0 CEAERP Cc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000398390804 270357993 /nfs/dbraw/zinc/35/79/93/270357993.db2.gz ZJANNDAXYAIOKC-GFCCVEGCSA-N 2 0 283.213 2.457 10 0 CEAERP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCC3(F)F)C2)C1 ZINC000336268362 277185765 /nfs/dbraw/zinc/18/57/65/277185765.db2.gz AWSUADWUYANQIP-STQMWFEESA-N 2 0 258.356 2.449 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767021 279348505 /nfs/dbraw/zinc/34/85/05/279348505.db2.gz ZIFSOCWJOPTZAH-HLLBOEOZSA-N 2 0 275.440 2.095 10 0 CEAERP CC(C)[C@H](C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1)[NH+]1CCCCC1 ZINC000262147786 280156895 /nfs/dbraw/zinc/15/68/95/280156895.db2.gz XIASNSUPITWFHD-HUUCEWRRSA-N 2 0 295.471 2.083 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cccc(C)c1 ZINC000234741285 280220783 /nfs/dbraw/zinc/22/07/83/280220783.db2.gz NIOXBWIGJULNLC-DZGCQCFKSA-N 2 0 250.386 2.400 10 0 CEAERP Cc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000108951981 280564668 /nfs/dbraw/zinc/56/46/68/280564668.db2.gz RHFURZPJCYCXKO-CQSZACIVSA-N 2 0 285.391 2.310 10 0 CEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCCC1 ZINC000161952759 281194890 /nfs/dbraw/zinc/19/48/90/281194890.db2.gz PPLBFTGMEIOBHU-DLBZAZTESA-N 2 0 279.472 2.421 10 0 CEAERP C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000577204738 314351897 /nfs/dbraw/zinc/35/18/97/314351897.db2.gz DDAUDCZHAZPHQC-BHYGNILZSA-N 2 0 275.440 2.267 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1=[NH+]C(C)(C)CS1 ZINC000049559160 519340877 /nfs/dbraw/zinc/34/08/77/519340877.db2.gz OHRKOZPRFFOGGE-LLVKDONJSA-N 2 0 257.447 2.434 10 0 CEAERP CC(C)N[C@@](C)(C[C@H](C)[NH+]1CCC(C)(C)CC1)C(N)=O ZINC000068643313 519736749 /nfs/dbraw/zinc/73/67/49/519736749.db2.gz BUERWKKNFCEHML-BBRMVZONSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515271 519745514 /nfs/dbraw/zinc/74/55/14/519745514.db2.gz IZAIOYSEYPBJPU-HNNXBMFYSA-N 3 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899105 519748443 /nfs/dbraw/zinc/74/84/43/519748443.db2.gz UGXMAYNUTQNMIP-UHFFFAOYSA-N 2 0 282.457 2.031 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654680 519745725 /nfs/dbraw/zinc/74/57/25/519745725.db2.gz AAJFHRBKGGOVSI-HZPDHXFCSA-N 2 0 269.477 2.283 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484083 519927699 /nfs/dbraw/zinc/92/76/99/519927699.db2.gz VECSLBCZCJOZIW-JKSUJKDBSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]Cc1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054994893 519975101 /nfs/dbraw/zinc/97/51/01/519975101.db2.gz ZYDGIDSVJWBAPR-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653492 519981533 /nfs/dbraw/zinc/98/15/33/519981533.db2.gz YPQWYIDQXQEOFY-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1C ZINC000061655588 520032420 /nfs/dbraw/zinc/03/24/20/520032420.db2.gz XIZDCIYQMOYHEW-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)CCCc1ccccc1 ZINC000062740943 520307157 /nfs/dbraw/zinc/30/71/57/520307157.db2.gz RMBZGWZOIZGQFU-MRXNPFEDSA-N 2 0 264.413 2.305 10 0 CEAERP CCCc1nc(N2CC[NH+](CCC)CC2)sc1C[NH2+]C ZINC000054968986 521532067 /nfs/dbraw/zinc/53/20/67/521532067.db2.gz HPCLGPAFVUPMHO-UHFFFAOYSA-N 2 0 296.484 2.347 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541461 522058366 /nfs/dbraw/zinc/05/83/66/522058366.db2.gz LQSSPBVMBLLQOG-UONOGXRCSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1C[N@H+](C)CCOC ZINC000052572904 522099632 /nfs/dbraw/zinc/09/96/32/522099632.db2.gz WVUIDDNUNFENKE-UHFFFAOYSA-N 2 0 262.353 2.230 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082052 522376762 /nfs/dbraw/zinc/37/67/62/522376762.db2.gz BEVCWHSXKFPEJC-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CCc1nc(N2CC[NH+]([C@H](C)CC)CC2)sc1C[NH3+] ZINC000055076537 522388133 /nfs/dbraw/zinc/38/81/33/522388133.db2.gz UAOSBEPOCCAZIX-LLVKDONJSA-N 2 0 282.457 2.085 10 0 CEAERP CN(C1CC[NH+](C)CC1)C1(C[NH3+])CCCCCC1 ZINC000055359891 522413353 /nfs/dbraw/zinc/41/33/53/522413353.db2.gz DOANEEOAFUAOMU-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400398970 533994196 /nfs/dbraw/zinc/99/41/96/533994196.db2.gz PYDZVELLGLSLBD-CWRNSKLLSA-N 2 0 261.413 2.019 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711766 518752741 /nfs/dbraw/zinc/75/27/41/518752741.db2.gz HGSZYWOOFMRYBF-CQSZACIVSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)(C)[NH2+]CCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540104 518755480 /nfs/dbraw/zinc/75/54/80/518755480.db2.gz AUBBGVPDIJMLIL-UONOGXRCSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCCC2)O1 ZINC000052671053 518760567 /nfs/dbraw/zinc/76/05/67/518760567.db2.gz RUMCICDBXLFXQT-JKSUJKDBSA-N 2 0 298.471 2.425 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371159 518761488 /nfs/dbraw/zinc/76/14/88/518761488.db2.gz FLJHXTGRXUWIAF-UONOGXRCSA-N 2 0 286.485 2.361 10 0 CEAERP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCCCCC2)nn1 ZINC000052381942 518766556 /nfs/dbraw/zinc/76/65/56/518766556.db2.gz WDWFQXVOWUARPI-UHFFFAOYSA-N 2 0 279.432 2.042 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206055 519339676 /nfs/dbraw/zinc/33/96/76/519339676.db2.gz PVXWKZBFROIWRC-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[N@H+](C)CCCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602691 519613366 /nfs/dbraw/zinc/61/33/66/519613366.db2.gz XEOAFSBASNRVNE-MQVJKMGUSA-N 2 0 267.461 2.451 10 0 CEAERP CC(C)[NH+](CCNC(=O)C[C@H]1CCC[C@@H]([NH3+])C1)C(C)C ZINC000055125061 519646930 /nfs/dbraw/zinc/64/69/30/519646930.db2.gz VMNKQOSEXZFYHT-LSDHHAIUSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654653 519720414 /nfs/dbraw/zinc/72/04/14/519720414.db2.gz SQWZJXTUBVBHPN-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210426 519724453 /nfs/dbraw/zinc/72/44/53/519724453.db2.gz HZXDHQLOSZKYSH-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000055082210 519726270 /nfs/dbraw/zinc/72/62/70/519726270.db2.gz VMSIOXSERNDYNR-KRWDZBQOSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)[NH2+]Cc1cc(F)ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062967154 519726747 /nfs/dbraw/zinc/72/67/47/519726747.db2.gz ZOXNGGLQAXTGPI-HNNXBMFYSA-N 2 0 279.403 2.464 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000055077382 519727409 /nfs/dbraw/zinc/72/74/09/519727409.db2.gz GABWBSMHRGWAIS-RHSMWYFYSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000055079112 519728391 /nfs/dbraw/zinc/72/83/91/519728391.db2.gz DPHPCODUNLNUMY-CVEARBPZSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)C[NH2+]CCCc1cnn(-c2cc[nH+]cc2)c1 ZINC000054680374 519744004 /nfs/dbraw/zinc/74/40/04/519744004.db2.gz VOAQAQHHSMYUEJ-UHFFFAOYSA-N 2 0 258.369 2.446 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480174 519744061 /nfs/dbraw/zinc/74/40/61/519744061.db2.gz PLGVFXZBHRDABL-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)C)nn1 ZINC000052478535 519747958 /nfs/dbraw/zinc/74/79/58/519747958.db2.gz KDEUTNNREDYNIV-AWEZNQCLSA-N 2 0 281.448 2.000 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1COCCC[NH+](C)C ZINC000052672342 519748042 /nfs/dbraw/zinc/74/80/42/519748042.db2.gz WKPFJVXICQZOQM-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC(C)[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478533 519791195 /nfs/dbraw/zinc/79/11/95/519791195.db2.gz IBJDINYOXPOVOG-CYBMUJFWSA-N 2 0 281.448 2.143 10 0 CEAERP CCCN1CC[NH+]([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421971 519859413 /nfs/dbraw/zinc/85/94/13/519859413.db2.gz OUUKVGFJZZNDJG-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCCC1CCC(C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000048991796 519895140 /nfs/dbraw/zinc/89/51/40/519895140.db2.gz GPZCFPCMDXJJLR-UHFFFAOYSA-N 2 0 279.472 2.454 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061296787 519905261 /nfs/dbraw/zinc/90/52/61/519905261.db2.gz UZWWNTZXNXBWEO-UHFFFAOYSA-N 2 0 283.460 2.145 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C ZINC000054602505 519909805 /nfs/dbraw/zinc/90/98/05/519909805.db2.gz AZVYAOOPMFBUHD-HMQMGEFJSA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054602464 519909850 /nfs/dbraw/zinc/90/98/50/519909850.db2.gz AKJVVBHIBWANHJ-ALOPSCKCSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)C)CCOCC1 ZINC000052181734 519911995 /nfs/dbraw/zinc/91/19/95/519911995.db2.gz ASHWMJFTRGBNLC-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+]CCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000052573024 519912109 /nfs/dbraw/zinc/91/21/09/519912109.db2.gz YORLDGWLJJCSEC-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377142 519925143 /nfs/dbraw/zinc/92/51/43/519925143.db2.gz FIRVDXHKQFCDDG-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062942211 519958705 /nfs/dbraw/zinc/95/87/05/519958705.db2.gz CUGAGTMEKHTZQG-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CCC[NH2+]Cc1occc1COCCC[NH+](C)C ZINC000052672406 519972766 /nfs/dbraw/zinc/97/27/66/519972766.db2.gz ZOGGGMPOIBDOLH-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2CC)O1 ZINC000052447824 519977440 /nfs/dbraw/zinc/97/74/40/519977440.db2.gz RUGQAUWCTSQPFS-ZNMIVQPWSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374507 519980339 /nfs/dbraw/zinc/98/03/39/519980339.db2.gz UIAKBVWWHRIGRN-CVEARBPZSA-N 2 0 260.381 2.159 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@H]2CC)cc1 ZINC000052481599 519996065 /nfs/dbraw/zinc/99/60/65/519996065.db2.gz SECKXGMHWGJRSF-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000062971463 520011217 /nfs/dbraw/zinc/01/12/17/520011217.db2.gz ZTDTZDRUHKVOQT-INIZCTEOSA-N 2 0 288.439 2.256 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979434 520081529 /nfs/dbraw/zinc/08/15/29/520081529.db2.gz RPTADHJYLIJKNV-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079129 520183918 /nfs/dbraw/zinc/18/39/18/520183918.db2.gz IUARQHIMRJALOA-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643714 520213276 /nfs/dbraw/zinc/21/32/76/520213276.db2.gz RKWYIAHQZYGMPY-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@@H](C[NH2+]C(C)(C)C)C1 ZINC000053012706 520607113 /nfs/dbraw/zinc/60/71/13/520607113.db2.gz WCWRCIJXCMEXNZ-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(C[NH2+]C)cc2)C1 ZINC000062972131 520845795 /nfs/dbraw/zinc/84/57/95/520845795.db2.gz YTTPVYITMVWINF-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[NH+](CC2CC2)CC1 ZINC000051285813 520908342 /nfs/dbraw/zinc/90/83/42/520908342.db2.gz PZFFMNXFEZWUPY-INIZCTEOSA-N 2 0 267.461 2.040 10 0 CEAERP CCC[C@H](C)[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075348 521060435 /nfs/dbraw/zinc/06/04/35/521060435.db2.gz ZIPZHKCBVWTGRB-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@](C)(C[NH3+])CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072096 521267124 /nfs/dbraw/zinc/26/71/24/521267124.db2.gz NEOLEMJFEKEOFU-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653544 521438987 /nfs/dbraw/zinc/43/89/87/521438987.db2.gz SBMUCGIQFTYPCF-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CCCc1nc(N2CC[NH+](CCC)CC2)sc1C[NH3+] ZINC000054968971 521532326 /nfs/dbraw/zinc/53/23/26/521532326.db2.gz XCTQTCRQXLKOBV-UHFFFAOYSA-N 2 0 282.457 2.086 10 0 CEAERP CCCN(CC[NH+](C)C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794270 521658678 /nfs/dbraw/zinc/65/86/78/521658678.db2.gz HCZCYGVIXKUDJU-UHFFFAOYSA-N 2 0 282.819 2.402 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)cc1C[NH3+] ZINC000061641578 521873224 /nfs/dbraw/zinc/87/32/24/521873224.db2.gz YZDYCSIOCYUQIC-CYBMUJFWSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cc(Cl)ccc1C[NH3+] ZINC000062787052 521873247 /nfs/dbraw/zinc/87/32/47/521873247.db2.gz XBDZXKFTBJNYHX-CYBMUJFWSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cc(C[NH3+])c2ccccc2n1 ZINC000061654330 521873315 /nfs/dbraw/zinc/87/33/15/521873315.db2.gz MVUHYANXVJQXMZ-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)(C)C)CCOCC1 ZINC000052182324 521969924 /nfs/dbraw/zinc/96/99/24/521969924.db2.gz JYPUZGLOXHOEPI-CYBMUJFWSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+]CCCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416955 521992741 /nfs/dbraw/zinc/99/27/41/521992741.db2.gz ZFNYKRQMNWSBAN-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP C[NH2+]C[C@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417071 522063363 /nfs/dbraw/zinc/06/33/63/522063363.db2.gz ITGSHIPYCCMDDR-QGZVFWFLSA-N 2 0 275.440 2.048 10 0 CEAERP CC[C@@H](C)[N@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052451263 522084871 /nfs/dbraw/zinc/08/48/71/522084871.db2.gz UJSFZKVYWHEFHD-CYBMUJFWSA-N 2 0 281.448 2.287 10 0 CEAERP C[NH2+]C[C@](C)(CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061653470 522098377 /nfs/dbraw/zinc/09/83/77/522098377.db2.gz BLGMWLZWWLBEJV-QZTJIDSGSA-N 2 0 289.467 2.190 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@]2(CC)CCC[NH2+]C2)CC1 ZINC000062867964 522124572 /nfs/dbraw/zinc/12/45/72/522124572.db2.gz VERNSEMPRYFTHO-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064755 522130604 /nfs/dbraw/zinc/13/06/04/522130604.db2.gz WFXUYHUJRKCECB-CABCVRRESA-N 2 0 255.450 2.166 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453641 522133205 /nfs/dbraw/zinc/13/32/05/522133205.db2.gz TXVJPUWQXJBRIC-CQSZACIVSA-N 2 0 250.411 2.343 10 0 CEAERP C[NH2+]Cc1ccoc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573490 522144152 /nfs/dbraw/zinc/14/41/52/522144152.db2.gz SAZJIJWCZDDDRT-UHFFFAOYSA-N 2 0 277.412 2.059 10 0 CEAERP C[NH2+]Cc1oc(CN2CC[NH+](C3CCCC3)CC2)cc1C ZINC000052573566 522160573 /nfs/dbraw/zinc/16/05/73/522160573.db2.gz MXWLBQVCJCFUOX-UHFFFAOYSA-N 2 0 291.439 2.368 10 0 CEAERP C[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C1CC1 ZINC000069182066 522167488 /nfs/dbraw/zinc/16/74/88/522167488.db2.gz CMEHHSKCJKGDHS-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515243 522195690 /nfs/dbraw/zinc/19/56/90/522195690.db2.gz PETXEGOVBAJIKY-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@H]([NH3+])[C@H](N1CC[C@H]([NH+]2CCCCC2)C1)C(F)(F)F ZINC000062977811 522342624 /nfs/dbraw/zinc/34/26/24/522342624.db2.gz XWJSVRUNSGARAX-AVGNSLFASA-N 2 0 293.377 2.215 10 0 CEAERP C[NH2+][C@@H](CCN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061653618 522347388 /nfs/dbraw/zinc/34/73/88/522347388.db2.gz VLZWMWZENSAQFO-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N(C)[C@@H]3CCC[N@H+](C)C3)sc21 ZINC000054905597 522390118 /nfs/dbraw/zinc/39/01/18/522390118.db2.gz QEZAJBPMLZPFQV-VXGBXAGGSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979212 522399988 /nfs/dbraw/zinc/39/99/88/522399988.db2.gz WKTRWXBHFAITGM-RYQLBKOJSA-N 2 0 285.435 2.042 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654708 522547902 /nfs/dbraw/zinc/54/79/02/522547902.db2.gz AXQMZYHJXFATJS-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP COCC1CC[NH+]([C@H](C)CCC[NH2+]C2CC2)CC1 ZINC000070082745 522939114 /nfs/dbraw/zinc/93/91/14/522939114.db2.gz DPADFQICKBETTP-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@@H+](Cc1ccnc(C(N)=[NH2+])c1)CC1CCCCC1 ZINC000068761435 523449715 /nfs/dbraw/zinc/44/97/15/523449715.db2.gz RJMIBCRTGCLJAN-UHFFFAOYSA-N 2 0 260.385 2.378 10 0 CEAERP C[N@@H+]1CCC[C@H]1CCOCCCCC[NH2+]C1CC1 ZINC000052673582 523846265 /nfs/dbraw/zinc/84/62/65/523846265.db2.gz WTFGSOOGNJEMKC-HNNXBMFYSA-N 2 0 254.418 2.410 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000055065589 523954729 /nfs/dbraw/zinc/95/47/29/523954729.db2.gz FFVUTUUWVDULAZ-GOEBONIOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064301 523957885 /nfs/dbraw/zinc/95/78/85/523957885.db2.gz DUAPZTDVQSFLFV-LRDDRELGSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065520 523959637 /nfs/dbraw/zinc/95/96/37/523959637.db2.gz AUUNBEWLCWEJHZ-KKUMJFAQSA-N 2 0 253.434 2.063 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000055076310 523961581 /nfs/dbraw/zinc/96/15/81/523961581.db2.gz SMUWEPFHQIVNQF-RYUDHWBXSA-N 2 0 294.468 2.400 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000055076253 523961588 /nfs/dbraw/zinc/96/15/88/523961588.db2.gz DMJKGVVQEPUVJV-NWDGAFQWSA-N 2 0 282.457 2.344 10 0 CEAERP COc1ccc(C[N@H+](C)Cc2occc2C[NH3+])cc1 ZINC000052541610 524008504 /nfs/dbraw/zinc/00/85/04/524008504.db2.gz BIZYLVBLCSNJBL-UHFFFAOYSA-N 2 0 260.337 2.379 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812116 524053319 /nfs/dbraw/zinc/05/33/19/524053319.db2.gz SDOHBHRHGCAMEG-CQSZACIVSA-N 2 0 275.396 2.316 10 0 CEAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418217 524139521 /nfs/dbraw/zinc/13/95/21/524139521.db2.gz MOMBHGZYPARUNO-CYBMUJFWSA-N 2 0 265.376 2.075 10 0 CEAERP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCC1 ZINC000062078341 524494403 /nfs/dbraw/zinc/49/44/03/524494403.db2.gz LGRDRNGMKDLMKA-OWCLPIDISA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000068629635 524658055 /nfs/dbraw/zinc/65/80/55/524658055.db2.gz GFIXVOAAXKXPHI-YYIAUSFCSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977594 525006669 /nfs/dbraw/zinc/00/66/69/525006669.db2.gz CNUUKELQSKHAOO-COXVUDFISA-N 2 0 291.414 2.384 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000050578630 525008548 /nfs/dbraw/zinc/00/85/48/525008548.db2.gz YHTJHZUIBJLBKT-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642218 525016229 /nfs/dbraw/zinc/01/62/29/525016229.db2.gz BFXXCUHAJXGFTK-DAXOMENPSA-N 2 0 279.403 2.240 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)ccc1F ZINC000050546350 525482081 /nfs/dbraw/zinc/48/20/81/525482081.db2.gz FRDFZCNELONGGE-QGZVFWFLSA-N 2 0 291.414 2.162 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000048991969 525952218 /nfs/dbraw/zinc/95/22/18/525952218.db2.gz UZOXHNNZQBJWSY-SFHVURJKSA-N 2 0 287.451 2.331 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684846 525962204 /nfs/dbraw/zinc/96/22/04/525962204.db2.gz FFYVNILILIJHOV-RHSMWYFYSA-N 2 0 275.440 2.409 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643076 526076749 /nfs/dbraw/zinc/07/67/49/526076749.db2.gz XAKLLWGLOZZJPQ-ZBFHGGJFSA-N 2 0 293.480 2.434 10 0 CEAERP C[C@H]1CCCC[C@H]1[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655242 526262331 /nfs/dbraw/zinc/26/23/31/526262331.db2.gz HLYKZQWPKJZXNO-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@H]2N1CC[NH+](C2CCCC2)CC1 ZINC000069267051 526508061 /nfs/dbraw/zinc/50/80/61/526508061.db2.gz ZHYCSYXNSABZOJ-GOSISDBHSA-N 2 0 285.435 2.391 10 0 CEAERP Cc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH2+]C(C)C ZINC000054994894 526950244 /nfs/dbraw/zinc/95/02/44/526950244.db2.gz FPBJGZPHTZUUGT-UHFFFAOYSA-N 2 0 296.484 2.480 10 0 CEAERP Cc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C(C)C ZINC000054968950 526964333 /nfs/dbraw/zinc/96/43/33/526964333.db2.gz LDIJPWCACGOENH-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP Cc1[nH+]c2cc(N)ccc2n1[C@@H]1C[NH+]2CCC1CC2 ZINC000052842679 527123211 /nfs/dbraw/zinc/12/32/11/527123211.db2.gz NASHXHRPWBZPBV-OAHLLOKOSA-N 2 0 256.353 2.194 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182010 527163151 /nfs/dbraw/zinc/16/31/51/527163151.db2.gz UUPHXTZMTDXDIJ-CABCVRRESA-N 2 0 266.429 2.397 10 0 CEAERP [NH3+]C[C@@]1(N2CC[C@H](c3ccccc3)C2)CC[N@@H+](C2CC2)C1 ZINC000061990767 527222934 /nfs/dbraw/zinc/22/29/34/527222934.db2.gz SQHDNFPSKQPDKS-WMZOPIPTSA-N 2 0 285.435 2.042 10 0 CEAERP [NH3+]Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000062978139 527253872 /nfs/dbraw/zinc/25/38/72/527253872.db2.gz BYRMRYLMRVOMPO-INIZCTEOSA-N 2 0 291.414 2.345 10 0 CEAERP [NH3+]Cc1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000061702138 527257204 /nfs/dbraw/zinc/25/72/04/527257204.db2.gz IPAOYSIABQQELH-INIZCTEOSA-N 2 0 283.375 2.194 10 0 CEAERP [NH3+]Cc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069182620 527268630 /nfs/dbraw/zinc/26/86/30/527268630.db2.gz MWBJIELBFVVJMZ-GFCCVEGCSA-N 2 0 292.452 2.154 10 0 CEAERP CC(C)[C@H]1[NH2+]C2(CC[NH+](C)CC2)OCC12CCC2 ZINC000757138789 574510157 /nfs/dbraw/zinc/51/01/57/574510157.db2.gz DRPIVZQAIJGDON-CYBMUJFWSA-N 2 0 252.402 2.223 10 0 CEAERP C1CC1[NH+]1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757139733 574510170 /nfs/dbraw/zinc/51/01/70/574510170.db2.gz HDEJLIBZPONBRJ-UHFFFAOYSA-N 2 0 250.386 2.121 10 0 CEAERP CC(C)[C@@H]1O[C@@]2(CCC[N@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143735 574510313 /nfs/dbraw/zinc/51/03/13/574510313.db2.gz MQOJBJFFNDGCGV-DZGCQCFKSA-N 2 0 252.402 2.223 10 0 CEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000044515830 639321516 /nfs/dbraw/zinc/32/15/16/639321516.db2.gz QFXWBHOAYRACOU-OAHLLOKOSA-N 2 0 260.381 2.442 10 0 CEAERP Brc1ccc(CC[NH2+]C2CC[NH2+]CC2)s1 ZINC000226372463 639539497 /nfs/dbraw/zinc/53/94/97/639539497.db2.gz YNCBCWSQMYRSBU-UHFFFAOYSA-N 2 0 289.242 2.395 10 0 CEAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000133432433 652627474 /nfs/dbraw/zinc/62/74/74/652627474.db2.gz MRURHTOQLYXYFQ-SOUVJXGZSA-N 2 0 262.397 2.413 10 0 CEAERP C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2cc(OC)ccc21 ZINC000082509390 178075994 /nfs/dbraw/zinc/07/59/94/178075994.db2.gz JCNWENHEZAFQKN-CQSZACIVSA-N 2 0 276.380 2.203 10 0 CEAERP C[NH2+][C@](C)(CO)C[C@@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096836997 185116666 /nfs/dbraw/zinc/11/66/66/185116666.db2.gz HGFCDSYFWPJGHT-HIFRSBDPSA-N 2 0 256.434 2.246 10 0 CEAERP C[C@H](C[NH2+]Cc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000040165695 361989964 /nfs/dbraw/zinc/98/99/64/361989964.db2.gz XADRZJUALVZLEV-CYBMUJFWSA-N 2 0 281.831 2.066 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300103926 293097891 /nfs/dbraw/zinc/09/78/91/293097891.db2.gz VQIFSNWAOFNTKK-SRVKXCTJSA-N 2 0 282.350 2.451 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000261555200 282188696 /nfs/dbraw/zinc/18/86/96/282188696.db2.gz PLCRWJUZCZUVNX-GARJFASQSA-N 2 0 251.761 2.217 10 0 CEAERP C=CC[N@H+](C)CCCCCCOC1CC[NH2+]CC1 ZINC000090750574 344143046 /nfs/dbraw/zinc/14/30/46/344143046.db2.gz OHWZOGNLSYFKRL-UHFFFAOYSA-N 2 0 254.418 2.433 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]C2)cc1 ZINC000054307360 362525619 /nfs/dbraw/zinc/52/56/19/362525619.db2.gz UNBAELQMMAUMNY-CQSZACIVSA-N 2 0 275.396 2.076 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)C[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000054308614 362526395 /nfs/dbraw/zinc/52/63/95/362526395.db2.gz LOXFKBYEMKVHND-HLLBOEOZSA-N 2 0 295.471 2.003 10 0 CEAERP [NH3+]C1(CC[NH2+]CCc2cscn2)CCCCC1 ZINC000084189116 178821928 /nfs/dbraw/zinc/82/19/28/178821928.db2.gz QKYCKZQTZFTEIT-UHFFFAOYSA-N 2 0 253.415 2.327 10 0 CEAERP C[C@H]1CC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)C[C@@H]1C ZINC000084990204 178940678 /nfs/dbraw/zinc/94/06/78/178940678.db2.gz KBHIFAZECPXIGP-JYJNAYRXSA-N 2 0 267.461 2.168 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128857290 365807213 /nfs/dbraw/zinc/80/72/13/365807213.db2.gz QTAKZBYVKPPTPU-HUUCEWRRSA-N 3 0 255.450 2.229 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000085364726 179035815 /nfs/dbraw/zinc/03/58/15/179035815.db2.gz JGKTWKRVXSSTPH-HUUCEWRRSA-N 2 0 287.407 2.348 10 0 CEAERP CC(C)c1nc2c(n1C[C@@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572837 179098013 /nfs/dbraw/zinc/09/80/13/179098013.db2.gz GPJANMRFFQRJFD-ZDUSSCGKSA-N 2 0 276.428 2.137 10 0 CEAERP CC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085570475 179096191 /nfs/dbraw/zinc/09/61/91/179096191.db2.gz ADXIHXZZGASULY-AWEZNQCLSA-N 2 0 290.455 2.069 10 0 CEAERP C[C@H](C[NH+]1CCCC1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573502 179099212 /nfs/dbraw/zinc/09/92/12/179099212.db2.gz UFJFQZDJDLXFPI-CYBMUJFWSA-N 2 0 290.455 2.483 10 0 CEAERP C[N@@H+]1CC[C@H](n2c3c(nc2C2CCCCC2)C[NH2+]CC3)C1 ZINC000085607102 179101130 /nfs/dbraw/zinc/10/11/30/179101130.db2.gz HSCFADMQSGZVDA-AWEZNQCLSA-N 2 0 288.439 2.453 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085973025 179207269 /nfs/dbraw/zinc/20/72/69/179207269.db2.gz ABLANVDGBDXWMY-IMJJTQAJSA-N 2 0 268.445 2.248 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173729 179244116 /nfs/dbraw/zinc/24/41/16/179244116.db2.gz AFLHUGRBBIJFPQ-ZACQAIPSSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173703 179244491 /nfs/dbraw/zinc/24/44/91/179244491.db2.gz QQPPEAIKAZMYBL-BZUAXINKSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173680 179244603 /nfs/dbraw/zinc/24/46/03/179244603.db2.gz OQJFGPMQNNCZFT-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173846 179244836 /nfs/dbraw/zinc/24/48/36/179244836.db2.gz DOYYFNQAINNHNT-DIECFANBSA-N 2 0 279.472 2.322 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177344 179246531 /nfs/dbraw/zinc/24/65/31/179246531.db2.gz IBGMOXKLVVFBGI-IAGOWNOFSA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223971 179252971 /nfs/dbraw/zinc/25/29/71/179252971.db2.gz KFKRHWOOPQUDPX-JKSUJKDBSA-N 2 0 279.472 2.467 10 0 CEAERP CC[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259255 179257673 /nfs/dbraw/zinc/25/76/73/179257673.db2.gz LHOSADJYZMMTKL-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288752 179264625 /nfs/dbraw/zinc/26/46/25/179264625.db2.gz NZLZNLGVNODNNV-HOCLYGCPSA-N 2 0 261.413 2.334 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@](C)(c3ccccc3)C2)CC1 ZINC000086286987 179264630 /nfs/dbraw/zinc/26/46/30/179264630.db2.gz QYFPRKZYOURFMC-SFHVURJKSA-N 2 0 287.451 2.291 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086288937 179264865 /nfs/dbraw/zinc/26/48/65/179264865.db2.gz NVSXFLAPBLCVJZ-MSOLQXFVSA-N 2 0 287.451 2.291 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292979 179266359 /nfs/dbraw/zinc/26/63/59/179266359.db2.gz VFWWJQAFVIRVKE-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291491 179266801 /nfs/dbraw/zinc/26/68/01/179266801.db2.gz NBWXRBNSOIFAGC-DOTOQJQBSA-N 2 0 281.488 2.428 10 0 CEAERP COC[C@@H](C)C[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293190 179266927 /nfs/dbraw/zinc/26/69/27/179266927.db2.gz MQPJRMMRXCWHFN-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268055 /nfs/dbraw/zinc/26/80/55/179268055.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 3 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCc2sc(N3CCC[N@H+](C)CC3)nc21 ZINC000086441957 179294135 /nfs/dbraw/zinc/29/41/35/179294135.db2.gz ABDZERZARIJWSA-LBPRGKRZSA-N 2 0 294.468 2.272 10 0 CEAERP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC000086817400 179345308 /nfs/dbraw/zinc/34/53/08/179345308.db2.gz HYKFVYNOZDQZPA-HNNXBMFYSA-N 2 0 286.423 2.419 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N[C@H]1CCC[N@H+](C)CC1 ZINC000086818581 179347063 /nfs/dbraw/zinc/34/70/63/179347063.db2.gz RPMMBQBEYBWYOU-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC(CC)N(CCOC)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086848162 179355976 /nfs/dbraw/zinc/35/59/76/179355976.db2.gz CIMMVIQLCWNZDA-KRWDZBQOSA-N 2 0 299.503 2.327 10 0 CEAERP CC(C)C[C@@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837772 179352098 /nfs/dbraw/zinc/35/20/98/179352098.db2.gz MPONQWBDSBPATF-JKSUJKDBSA-N 2 0 297.487 2.342 10 0 CEAERP CCN1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086842307 179353719 /nfs/dbraw/zinc/35/37/19/179353719.db2.gz WBTBHNFSMSARNT-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086844337 179354438 /nfs/dbraw/zinc/35/44/38/179354438.db2.gz FKAPFSDGYJEJNT-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CCN(C1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846674 179355298 /nfs/dbraw/zinc/35/52/98/179355298.db2.gz HBODUIODBUVGEF-HNNXBMFYSA-N 2 0 253.434 2.063 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000086891296 179365888 /nfs/dbraw/zinc/36/58/88/179365888.db2.gz CROVVDPPUYFATI-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[C@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952107 179368769 /nfs/dbraw/zinc/36/87/69/179368769.db2.gz QOQCCWMEXLJLRX-HOTGVXAUSA-N 2 0 268.445 2.249 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC(O)(CC)CC)CC1 ZINC000087014966 179379906 /nfs/dbraw/zinc/37/99/06/179379906.db2.gz JMTNULPZSHXTBK-ZDUSSCGKSA-N 2 0 256.434 2.248 10 0 CEAERP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000087050255 179388764 /nfs/dbraw/zinc/38/87/64/179388764.db2.gz DOPNDSUTLRZCEP-IJEWVQPXSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@H]1CCC[C@](O)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000087064891 179390333 /nfs/dbraw/zinc/39/03/33/179390333.db2.gz HWMFFINWOATIEN-LSDHHAIUSA-N 2 0 254.418 2.003 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](CCC[C@@H]2CCCO2)CC1 ZINC000087245191 179404792 /nfs/dbraw/zinc/40/47/92/179404792.db2.gz IMIAPYMYIKQJGE-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCC(C[NH2+]CCc2ccc3c(c2)CCO3)CC1 ZINC000088101719 179547958 /nfs/dbraw/zinc/54/79/58/179547958.db2.gz TWSDYQKAJAWPGV-UHFFFAOYSA-N 2 0 288.435 2.486 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N(C)CCC[NH+](C)C)s1 ZINC000104198388 185927257 /nfs/dbraw/zinc/92/72/57/185927257.db2.gz MBVTZRZISPXMIC-UHFFFAOYSA-N 2 0 284.473 2.277 10 0 CEAERP C[C@@H]([NH3+])Cc1ccccc1N1CCC([NH+](C)C)CC1 ZINC000104254419 185945484 /nfs/dbraw/zinc/94/54/84/185945484.db2.gz RNTFDZBTFUEDFD-CYBMUJFWSA-N 2 0 261.413 2.107 10 0 CEAERP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400342606 233176692 /nfs/dbraw/zinc/17/66/92/233176692.db2.gz JDXFSBWLHGIFLG-SZMVWBNQSA-N 2 0 287.451 2.239 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000104429796 185999916 /nfs/dbraw/zinc/99/99/16/185999916.db2.gz LRXRALHCFPORMG-CZUORRHYSA-N 2 0 262.397 2.040 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](CC(C)C)C1CC1 ZINC000090566543 180005206 /nfs/dbraw/zinc/00/52/06/180005206.db2.gz KKLPARBRTHKVPW-HIFRSBDPSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CCC)CC1CC1 ZINC000090566418 180005326 /nfs/dbraw/zinc/00/53/26/180005326.db2.gz FWYXDGBFEBFZIN-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567042 180006624 /nfs/dbraw/zinc/00/66/24/180006624.db2.gz AINFCZSAOGMXAJ-UONOGXRCSA-N 2 0 254.418 2.123 10 0 CEAERP FC(F)(F)CC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693758 180026328 /nfs/dbraw/zinc/02/63/28/180026328.db2.gz DYULCKHSYRCGHF-MNOVXSKESA-N 2 0 250.308 2.403 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894357 180055989 /nfs/dbraw/zinc/05/59/89/180055989.db2.gz RILHZJYCZXZHTK-VHDGCEQUSA-N 2 0 290.382 2.059 10 0 CEAERP CC(C)C[N@H+](Cc1csc(CC[NH3+])n1)C1CC1 ZINC000090958306 180074928 /nfs/dbraw/zinc/07/49/28/180074928.db2.gz HOSWYBACMDDMES-UHFFFAOYSA-N 2 0 253.415 2.265 10 0 CEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC000091313763 180132685 /nfs/dbraw/zinc/13/26/85/180132685.db2.gz LRMJLRGBCQTUOM-AWEZNQCLSA-N 2 0 268.788 2.150 10 0 CEAERP CC(C)c1c(C[NH2+]C(C)(C)C)cnn1CC[NH+](C)C ZINC000091338607 180136584 /nfs/dbraw/zinc/13/65/84/180136584.db2.gz RDXJKMPCRHAFBN-UHFFFAOYSA-N 2 0 266.433 2.456 10 0 CEAERP CC[NH2+][C@@H](C)c1csc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091428542 180153221 /nfs/dbraw/zinc/15/32/21/180153221.db2.gz FHIQOOMKCNUWFX-RYUDHWBXSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH+](CC)CCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091434577 180154280 /nfs/dbraw/zinc/15/42/80/180154280.db2.gz ITYJGLUKEJGYAL-UHFFFAOYSA-N 2 0 280.416 2.085 10 0 CEAERP C[NH2+][C@H](CC[N@H+](C)CC1CC(O)C1)c1ccccc1C ZINC000091490965 180170230 /nfs/dbraw/zinc/17/02/30/180170230.db2.gz KXANUGYHRUELCS-VMBOVVBDSA-N 2 0 276.424 2.348 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091498835 180173568 /nfs/dbraw/zinc/17/35/68/180173568.db2.gz CGNFCXIMUYEBBZ-BHDPWAOGSA-N 2 0 282.472 2.494 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499031 180173688 /nfs/dbraw/zinc/17/36/88/180173688.db2.gz VHUIQLDBIZAUND-AMPGOEKISA-N 2 0 282.472 2.494 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000091391691 180144600 /nfs/dbraw/zinc/14/46/00/180144600.db2.gz WYDHGQDLZVIAMY-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392226 180144674 /nfs/dbraw/zinc/14/46/74/180144674.db2.gz CUCBKFIJINWIDD-CWRNSKLLSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395415 180146495 /nfs/dbraw/zinc/14/64/95/180146495.db2.gz CAUMXQZRRZHKFE-OBJOEFQTSA-N 2 0 267.442 2.162 10 0 CEAERP CCCN(CC[NH+](C)C)CC(C)(C)[C@H](C)[NH2+]CC ZINC000091403883 180147042 /nfs/dbraw/zinc/14/70/42/180147042.db2.gz KTDRVEUHJGETDU-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000091404974 180147114 /nfs/dbraw/zinc/14/71/14/180147114.db2.gz ZEVZTGCCKAFVSA-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](CCO)C(CC)CC ZINC000091404077 180147204 /nfs/dbraw/zinc/14/72/04/180147204.db2.gz QIVYTNDVRDZHQX-CYBMUJFWSA-N 2 0 258.450 2.494 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC(COC)CC1 ZINC000091405241 180147633 /nfs/dbraw/zinc/14/76/33/180147633.db2.gz WGJRXWUHNDNAKM-ZDUSSCGKSA-N 2 0 256.434 2.369 10 0 CEAERP C[C@@H](O)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091406008 180147800 /nfs/dbraw/zinc/14/78/00/180147800.db2.gz FJZGJQJVBPPHPK-CQSZACIVSA-N 2 0 268.445 2.201 10 0 CEAERP [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000091548863 180188472 /nfs/dbraw/zinc/18/84/72/180188472.db2.gz CPCBRSSPTQVZBP-GJZGRUSLSA-N 2 0 287.407 2.348 10 0 CEAERP Nc1cc[nH+]cc1CC(=O)C1([NH+]2CCCC2)CCCC1 ZINC000091640061 180212402 /nfs/dbraw/zinc/21/24/02/180212402.db2.gz RJBMGYMAZQEXSF-UHFFFAOYSA-N 2 0 273.380 2.184 10 0 CEAERP C[NH2+][C@H]([C@H]1CCOC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640859 180213031 /nfs/dbraw/zinc/21/30/31/180213031.db2.gz ZABQPVOOKBPTSG-UONOGXRCSA-N 2 0 252.402 2.020 10 0 CEAERP CC[C@@H](C)n1ccc(C[C@H]([NH3+])CC[NH+](CC)CC)n1 ZINC000091715732 180232862 /nfs/dbraw/zinc/23/28/62/180232862.db2.gz UUQMKSAIEAAAIF-ZIAGYGMSSA-N 2 0 266.433 2.456 10 0 CEAERP CC[N@H+]([C@H](C)c1cn(C)nc1C)C1CCC([NH3+])CC1 ZINC000091849973 180272542 /nfs/dbraw/zinc/27/25/42/180272542.db2.gz GYHBBLBUUXKOGU-IYXRBSQSSA-N 2 0 264.417 2.381 10 0 CEAERP C[N@H+](Cc1nnc(-c2ccco2)o1)C1CCC([NH3+])CC1 ZINC000091846848 180270622 /nfs/dbraw/zinc/27/06/22/180270622.db2.gz LUDZYIRPJHOUNS-UHFFFAOYSA-N 2 0 276.340 2.031 10 0 CEAERP CCCn1cncc1C[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091849650 180271430 /nfs/dbraw/zinc/27/14/30/180271430.db2.gz NRKFBGZBQCBYMM-UHFFFAOYSA-N 2 0 264.417 2.385 10 0 CEAERP CC[N@H+](C[C@@H]1COc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091850868 180271845 /nfs/dbraw/zinc/27/18/45/180271845.db2.gz NFHRPAGUYVUTGO-YMAMQOFZSA-N 2 0 290.407 2.418 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)NCCC(C)C)CC1 ZINC000091870112 180276891 /nfs/dbraw/zinc/27/68/91/180276891.db2.gz TVOKTKFXYPFQJM-UHFFFAOYSA-N 2 0 297.487 2.391 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N(C)C(C)C)CC1 ZINC000091870036 180277264 /nfs/dbraw/zinc/27/72/64/180277264.db2.gz FHEOIXPHRZPYQX-UHFFFAOYSA-N 2 0 283.460 2.096 10 0 CEAERP CCn1cc([C@@H](C)[N@H+](C)C2CCC([NH2+]C)CC2)cn1 ZINC000091871093 180277395 /nfs/dbraw/zinc/27/73/95/180277395.db2.gz ZKZKEMJJXSRVJB-LRVUVFPRSA-N 2 0 264.417 2.426 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000091872909 180277839 /nfs/dbraw/zinc/27/78/39/180277839.db2.gz OCUIRGFYQFPLPE-PJPHBNEVSA-N 2 0 295.471 2.238 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2occc2C(=O)OC)CC1 ZINC000091873012 180278120 /nfs/dbraw/zinc/27/81/20/180278120.db2.gz BKNKNCUXDVHBEY-UHFFFAOYSA-N 2 0 280.368 2.029 10 0 CEAERP C[NH2+]C1CCC(N(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091872276 180278208 /nfs/dbraw/zinc/27/82/08/180278208.db2.gz UJVSUQWKUKCMRS-GJROSEKXSA-N 2 0 295.471 2.237 10 0 CEAERP CCC[NH+]1CCC(O)([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091906369 180284250 /nfs/dbraw/zinc/28/42/50/180284250.db2.gz OFIXCHKMNSHZKY-CABCVRRESA-N 2 0 268.445 2.379 10 0 CEAERP CCC[NH+]1CCC(O)([C@]2(C[NH3+])CC[C@H](CC)C2)CC1 ZINC000091906354 180284305 /nfs/dbraw/zinc/28/43/05/180284305.db2.gz WYUUTMTWKWLTCO-LSDHHAIUSA-N 2 0 268.445 2.379 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004222 180304376 /nfs/dbraw/zinc/30/43/76/180304376.db2.gz REOVFBRFVZCDFN-XHSDSOJGSA-N 2 0 295.471 2.227 10 0 CEAERP CCCCCC[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004393 180304447 /nfs/dbraw/zinc/30/44/47/180304447.db2.gz UOLBKNMXLBGJMH-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]Cc1nc(C[NH+]2C[C@@H](C)[C@H](C)C2)cs1 ZINC000092089350 180321717 /nfs/dbraw/zinc/32/17/17/180321717.db2.gz HDBLOJAYNZVBPM-GHMZBOCLSA-N 2 0 253.415 2.340 10 0 CEAERP COc1ccc(OCC[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000105972719 186094635 /nfs/dbraw/zinc/09/46/35/186094635.db2.gz ZNUFNYNWNCRHKJ-UHFFFAOYSA-N 2 0 278.396 2.150 10 0 CEAERP CCNc1cc[nH+]c(CN(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000092418998 180382579 /nfs/dbraw/zinc/38/25/79/180382579.db2.gz IJUFTNFIMCLXPC-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496303 186257018 /nfs/dbraw/zinc/25/70/18/186257018.db2.gz POJCYJWCCLPNCI-STQMWFEESA-N 2 0 282.432 2.446 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCOC2)CC1 ZINC000109544611 186261964 /nfs/dbraw/zinc/26/19/64/186261964.db2.gz LZPAYZLMFJLWAA-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CCc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)sc1C[NH3+] ZINC000110275718 186289342 /nfs/dbraw/zinc/28/93/42/186289342.db2.gz MBKBPMDGUGIIOT-GFCCVEGCSA-N 2 0 294.468 2.229 10 0 CEAERP C[NH+](C)[C@H]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C1 ZINC000110275272 186289836 /nfs/dbraw/zinc/28/98/36/186289836.db2.gz ZBXYNDUVYMKRTI-JTQLQIEISA-N 2 0 282.457 2.040 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC[N@@H+]1C ZINC000110977980 186338814 /nfs/dbraw/zinc/33/88/14/186338814.db2.gz HLFXULZMTMKNTM-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110704893 186313821 /nfs/dbraw/zinc/31/38/21/186313821.db2.gz AAGLLTQWMCKJQV-HNNXBMFYSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704956 186313940 /nfs/dbraw/zinc/31/39/40/186313940.db2.gz GDNGTGDCOLBCII-OLZOCXBDSA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110704262 186314395 /nfs/dbraw/zinc/31/43/95/186314395.db2.gz AMEQOTMCGLEGER-SQWLQELKSA-N 2 0 279.428 2.392 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000110704949 186314487 /nfs/dbraw/zinc/31/44/87/186314487.db2.gz OBQQSZLSJGXMJY-LBPRGKRZSA-N 2 0 267.442 2.082 10 0 CEAERP CC[NH2+]CC1(CN2CC[N@H+](C)[C@@H](CC)C2)CCCC1 ZINC000110746367 186318597 /nfs/dbraw/zinc/31/85/97/186318597.db2.gz WILABBYVTHTRTG-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754701 186320115 /nfs/dbraw/zinc/32/01/15/186320115.db2.gz VGKRXNMHEJPVDN-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110752280 186320896 /nfs/dbraw/zinc/32/08/96/186320896.db2.gz LQRJFEDARZORCV-CQSZACIVSA-N 2 0 273.424 2.075 10 0 CEAERP CC[C@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CC[N@@H+]1C ZINC000110757116 186321232 /nfs/dbraw/zinc/32/12/32/186321232.db2.gz KLRTVIXXNFOJCU-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CC[N@@H+]1C ZINC000110754196 186321792 /nfs/dbraw/zinc/32/17/92/186321792.db2.gz XWFCLIUTWVBDEH-HOTGVXAUSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039968 186346464 /nfs/dbraw/zinc/34/64/64/186346464.db2.gz OMMXUDOOJDPPSY-DOMZBBRYSA-N 2 0 297.393 2.381 10 0 CEAERP CC(C)CN(CC[NH+](C)C)c1ccc(F)cc1C(N)=[NH2+] ZINC000111034401 186346776 /nfs/dbraw/zinc/34/67/76/186346776.db2.gz YZGCQNCXURMXEO-UHFFFAOYSA-N 2 0 280.391 2.134 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039762 186346844 /nfs/dbraw/zinc/34/68/44/186346844.db2.gz SFKMZXIWTUCJIC-HNNXBMFYSA-N 2 0 297.393 2.381 10 0 CEAERP CCc1nc(N(C)CCC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000111152037 186360694 /nfs/dbraw/zinc/36/06/94/186360694.db2.gz VJVJHFNRWGNYDE-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+][C@H](C)c1sc(N(C)CC[NH+](C)C)nc1C ZINC000111151319 186360960 /nfs/dbraw/zinc/36/09/60/186360960.db2.gz COJPSELPWANYOS-SNVBAGLBSA-N 2 0 270.446 2.120 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CC[NH+](C)C ZINC000111129605 186356002 /nfs/dbraw/zinc/35/60/02/186356002.db2.gz JTXPMJCBIQGUCU-HOTGVXAUSA-N 2 0 263.429 2.267 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000111132549 186356499 /nfs/dbraw/zinc/35/64/99/186356499.db2.gz UGMMOOBGKYZNNE-QGZVFWFLSA-N 2 0 271.408 2.333 10 0 CEAERP CC(C)Oc1cccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133960 186356598 /nfs/dbraw/zinc/35/65/98/186356598.db2.gz KFTLCWITZHYCMU-QGZVFWFLSA-N 2 0 293.455 2.357 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N(C)CC[NH+](C)C ZINC000111134503 186356973 /nfs/dbraw/zinc/35/69/73/186356973.db2.gz RNGJPBLVQMJOPI-IRXDYDNUSA-N 2 0 275.440 2.145 10 0 CEAERP CN(CC[NH+](C)C)C[C@H]([NH3+])c1cccc2ccccc21 ZINC000111134688 186357461 /nfs/dbraw/zinc/35/74/61/186357461.db2.gz DXDSBBYSBJDNEL-KRWDZBQOSA-N 2 0 271.408 2.333 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111134486 186357697 /nfs/dbraw/zinc/35/76/97/186357697.db2.gz DBBGDICCOIKUMX-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP CCC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(OC)cc1 ZINC000111135333 186357777 /nfs/dbraw/zinc/35/77/77/186357777.db2.gz XDVWFHJDJUXEEZ-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP CN(CC[NH+](C)C)C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000111135410 186357790 /nfs/dbraw/zinc/35/77/90/186357790.db2.gz GUQKYKDHAKMFQV-INIZCTEOSA-N 2 0 277.456 2.477 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@@H]1N(C)CC[NH+](C)C ZINC000111135482 186358074 /nfs/dbraw/zinc/35/80/74/186358074.db2.gz DKURWPHEWYPGDV-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP Cc1cc(C)c(C[NH2+]C(C)C)c(N(C)CC[NH+](C)C)n1 ZINC000111148852 186358906 /nfs/dbraw/zinc/35/89/06/186358906.db2.gz WRPWAKUVITUHSA-UHFFFAOYSA-N 2 0 278.444 2.194 10 0 CEAERP CN(CCC[NH+](C)C)CC(C)(C)C[NH2+]C(C)(C)C ZINC000111148191 186358945 /nfs/dbraw/zinc/35/89/45/186358945.db2.gz XIQOBYHLQNLABX-UHFFFAOYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC(CC)(C[NH2+]C)C[N@H+](C)CC1CCOCC1 ZINC000111172477 186364750 /nfs/dbraw/zinc/36/47/50/186364750.db2.gz UZMMBRCRCRCVHX-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH2+]C[C@]1(C[NH+]2CCCCCC2)CCCOC1 ZINC000111323901 186397194 /nfs/dbraw/zinc/39/71/94/186397194.db2.gz GDNFYDYXWQQCMU-HNNXBMFYSA-N 2 0 254.418 2.269 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324384 186397407 /nfs/dbraw/zinc/39/74/07/186397407.db2.gz ZNKCISQGOYATEE-SJORKVTESA-N 2 0 298.471 2.020 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[NH+]2CCCC2)CCCOC1 ZINC000111323637 186397433 /nfs/dbraw/zinc/39/74/33/186397433.db2.gz SCMNPKHIGKCXFC-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP C[C@@H](C(=O)N1CCCC1)[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000111697124 186445803 /nfs/dbraw/zinc/44/58/03/186445803.db2.gz BKOQPIPJKRYIIJ-AWEZNQCLSA-N 2 0 295.471 2.097 10 0 CEAERP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])[C@H](C)CC)c1 ZINC000123913359 187114835 /nfs/dbraw/zinc/11/48/35/187114835.db2.gz VUUPOFCEMMWBLS-BXUZGUMPSA-N 2 0 263.385 2.108 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000252806972 540008948 /nfs/dbraw/zinc/00/89/48/540008948.db2.gz HYSKUNUHGWWSTR-YOEHRIQHSA-N 2 0 285.435 2.001 10 0 CEAERP C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)[C@@H]1CCC[NH2+]C1 ZINC000578518507 366506203 /nfs/dbraw/zinc/50/62/03/366506203.db2.gz MRTBWFMFGPDRAO-BFHYXJOUSA-N 2 0 281.469 2.329 10 0 CEAERP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000310954704 540450485 /nfs/dbraw/zinc/45/04/85/540450485.db2.gz ZNDNDPOSKDRLSN-UONOGXRCSA-N 2 0 256.434 2.105 10 0 CEAERP C[C@H]([NH2+]CCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400429680 299294336 /nfs/dbraw/zinc/29/43/36/299294336.db2.gz ZRPJLWHHCIQWHD-KBPBESRZSA-N 2 0 254.418 2.313 10 0 CEAERP C[N@@H+](Cc1ccc(Br)nc1)CC1CC[NH2+]CC1 ZINC000095071334 364330833 /nfs/dbraw/zinc/33/08/33/364330833.db2.gz KWVYGOYUXPHSHZ-UHFFFAOYSA-N 2 0 298.228 2.276 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000245437224 370819409 /nfs/dbraw/zinc/81/94/09/370819409.db2.gz WHZLLCWFNSVMDB-HOTGVXAUSA-N 2 0 295.471 2.194 10 0 CEAERP CC/C=C\CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000342220732 367394838 /nfs/dbraw/zinc/39/48/38/367394838.db2.gz SBSUCZWHZIBMJS-YVACAVLKSA-N 2 0 268.445 2.367 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840694 367581691 /nfs/dbraw/zinc/58/16/91/367581691.db2.gz DTMNUPMAEDPCBM-PWSUYJOCSA-N 2 0 270.323 2.315 10 0 CEAERP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837694 367577190 /nfs/dbraw/zinc/57/71/90/367577190.db2.gz WFIHSTUJTNAMJS-VXGBXAGGSA-N 2 0 268.401 2.444 10 0 CEAERP Cc1ccc(CCCN2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000181854019 368501552 /nfs/dbraw/zinc/50/15/52/368501552.db2.gz BMRBELHDZVUZQE-KRWDZBQOSA-N 2 0 276.424 2.190 10 0 CEAERP CCCN(C[C@@H]1CCC[NH2+]C1)[C@@H](CC)C(=O)OCC ZINC000233072492 370517135 /nfs/dbraw/zinc/51/71/35/370517135.db2.gz XVAPZIVIBMHUKH-KGLIPLIRSA-N 2 0 270.417 2.040 10 0 CEAERP CCc1cnc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000234223402 189821474 /nfs/dbraw/zinc/82/14/74/189821474.db2.gz IORDGVYASMQZBN-GHMZBOCLSA-N 2 0 253.415 2.313 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251406255 371400710 /nfs/dbraw/zinc/40/07/10/371400710.db2.gz MWMDYRPADANDEL-RBSFLKMASA-N 2 0 256.434 2.294 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261648733 371692237 /nfs/dbraw/zinc/69/22/37/371692237.db2.gz QJNRDQBZCSBOOG-BZUAXINKSA-N 2 0 276.428 2.092 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]12 ZINC000261986726 371790690 /nfs/dbraw/zinc/79/06/90/371790690.db2.gz RYGFGUBYGZFCND-ZLKJLUDKSA-N 2 0 288.420 2.307 10 0 CEAERP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000262095642 371823534 /nfs/dbraw/zinc/82/35/34/371823534.db2.gz VFEAYTCIUPKPOX-QWHCGFSZSA-N 2 0 272.352 2.180 10 0 CEAERP CC[C@H](C)N(Cc1noc(CN)n1)Cc1ccccc1 ZINC000262116180 371825910 /nfs/dbraw/zinc/82/59/10/371825910.db2.gz BKJHJVGLBCYEQD-LBPRGKRZSA-N 2 0 274.368 2.329 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000262674882 371894013 /nfs/dbraw/zinc/89/40/13/371894013.db2.gz RMFLJNBJXYRGCW-PMPSAXMXSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000643457927 373126695 /nfs/dbraw/zinc/12/66/95/373126695.db2.gz AZQZZHZBVGXMCG-UAGQMJEPSA-N 2 0 275.440 2.267 10 0 CEAERP NNc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000307321212 376563470 /nfs/dbraw/zinc/56/34/70/376563470.db2.gz WMEKBROKUAFBJI-CQSZACIVSA-N 2 0 283.379 2.054 10 0 CEAERP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960089 377036433 /nfs/dbraw/zinc/03/64/33/377036433.db2.gz AZJDRUXVZCRCJU-XYJFISCASA-N 2 0 289.467 2.485 10 0 CEAERP CCCC[NH+](CCCC)CC[C@H]1CCC[C@]1([NH3+])C(N)=O ZINC000093585830 184693379 /nfs/dbraw/zinc/69/33/79/184693379.db2.gz NGAMIUDUQROKSQ-GDBMZVCRSA-N 2 0 283.460 2.262 10 0 CEAERP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@H+](C)CC1CCCC1 ZINC000093594514 184694085 /nfs/dbraw/zinc/69/40/85/184694085.db2.gz GVOQHADEPPQTBK-DOTOQJQBSA-N 2 0 295.471 2.132 10 0 CEAERP CC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[NH+]1CCC(CC)CC1 ZINC000093592451 184694182 /nfs/dbraw/zinc/69/41/82/184694182.db2.gz FBGUUDYKZORMIO-NVXWUHKLSA-N 2 0 295.471 2.132 10 0 CEAERP C[NH2+][C@]1(CO)CCC[C@H]1CC[NH+]1CCC(C)(C)CC1 ZINC000093598505 184694573 /nfs/dbraw/zinc/69/45/73/184694573.db2.gz MVKMQZYWHVMWAW-HOCLYGCPSA-N 2 0 268.445 2.249 10 0 CEAERP C[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCCCCCC1 ZINC000093615780 184695886 /nfs/dbraw/zinc/69/58/86/184695886.db2.gz VEUQBNKGVFZIGZ-CVEARBPZSA-N 2 0 268.445 2.393 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C1(C[NH3+])CCC(C)(C)CC1 ZINC000094458564 184804576 /nfs/dbraw/zinc/80/45/76/184804576.db2.gz XISZUNZPGGVVMH-HUUCEWRRSA-N 2 0 279.472 2.453 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094384286 184792178 /nfs/dbraw/zinc/79/21/78/184792178.db2.gz PQWMEPWNCPXLDW-HOTGVXAUSA-N 2 0 298.496 2.363 10 0 CEAERP CCC[NH2+]CC1CC[NH+]([C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000094413742 184794418 /nfs/dbraw/zinc/79/44/18/184794418.db2.gz OZWJZAUZOUSCQN-IAGOWNOFSA-N 2 0 296.455 2.036 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2[C@H]([NH3+])C(C)(C)OC2(C)C)CC1 ZINC000094428196 184796444 /nfs/dbraw/zinc/79/64/44/184796444.db2.gz KKUUJVFISVZBDI-KGLIPLIRSA-N 2 0 284.444 2.018 10 0 CEAERP [NH3+]Cc1c2ccccc2oc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094467128 184806414 /nfs/dbraw/zinc/80/64/14/184806414.db2.gz SUZGDHUFAXHVIS-CYBMUJFWSA-N 2 0 285.391 2.172 10 0 CEAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694319 285362072 /nfs/dbraw/zinc/36/20/72/285362072.db2.gz YKKZNQFUGPKJAF-HOTGVXAUSA-N 2 0 266.429 2.240 10 0 CEAERP CC[NH2+]Cc1ccnc(N2CCC(C[NH+](C)C)CC2)c1F ZINC000097878154 134514751 /nfs/dbraw/zinc/51/47/51/134514751.db2.gz MKTPXFHULJOQKA-UHFFFAOYSA-N 2 0 294.418 2.108 10 0 CEAERP Cc1cccc(N2CC[NH+](CCC(C)(C)C(N)=[NH2+])CC2)c1 ZINC000087593376 135050842 /nfs/dbraw/zinc/05/08/42/135050842.db2.gz YIWQSZSUOOTBCH-UHFFFAOYSA-N 2 0 288.439 2.469 10 0 CEAERP C[C@H]([NH3+])Cc1cc(F)c(N2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000091431502 135069801 /nfs/dbraw/zinc/06/98/01/135069801.db2.gz FRARTKMNPBYGJM-AAEUAGOBSA-N 2 0 297.393 2.385 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000091431906 135069963 /nfs/dbraw/zinc/06/99/63/135069963.db2.gz CVMRLCXINUOALR-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091449193 135070630 /nfs/dbraw/zinc/07/06/30/135070630.db2.gz WTTBAPFKOBDWPY-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Br)cc1 ZINC000258815658 394598222 /nfs/dbraw/zinc/59/82/22/394598222.db2.gz SXMPWKJLAXYLFH-SECBINFHSA-N 2 0 257.175 2.276 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)C1 ZINC000261947699 394610460 /nfs/dbraw/zinc/61/04/60/394610460.db2.gz NMNJBSYIEAIIOX-UUAJXVIYSA-N 2 0 280.456 2.248 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000423027996 394884776 /nfs/dbraw/zinc/88/47/76/394884776.db2.gz SETUTBIUCYQKRE-FQUUOJAGSA-N 2 0 254.418 2.168 10 0 CEAERP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292402 395174038 /nfs/dbraw/zinc/17/40/38/395174038.db2.gz JZAQESWTZLKLBK-SIXLDLHFSA-N 2 0 274.408 2.228 10 0 CEAERP [NH3+]C[C@@H](c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225415 171089115 /nfs/dbraw/zinc/08/91/15/171089115.db2.gz CVULYMKTEFSIBV-SFHVURJKSA-N 2 0 287.451 2.494 10 0 CEAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc(F)cc1Cl ZINC000020401683 171182710 /nfs/dbraw/zinc/18/27/10/171182710.db2.gz CMZPGOVMURQTEQ-SNVBAGLBSA-N 2 0 260.740 2.137 10 0 CEAERP CCC[NH+](CCC)CC(=O)Nc1ccccc1C[NH3+] ZINC000022151710 171358864 /nfs/dbraw/zinc/35/88/64/171358864.db2.gz UYIOJZWAAFLCCK-UHFFFAOYSA-N 2 0 263.385 2.206 10 0 CEAERP Cc1ccsc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022176997 171370766 /nfs/dbraw/zinc/37/07/66/171370766.db2.gz GUOJYIJLSOMBRY-CYBMUJFWSA-N 2 0 267.442 2.082 10 0 CEAERP CC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098047 174111922 /nfs/dbraw/zinc/11/19/22/174111922.db2.gz RKFMIEFCFBFHFB-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622554 174355546 /nfs/dbraw/zinc/35/55/46/174355546.db2.gz RVBXLQYALQDQAX-CVEARBPZSA-N 3 0 281.488 2.427 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc(OC(C)C)c2)CC1 ZINC000040640925 174364320 /nfs/dbraw/zinc/36/43/20/174364320.db2.gz KROPQWSHIYWGEL-KRWDZBQOSA-N 2 0 291.439 2.111 10 0 CEAERP [NH3+]C[C@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693647 174377429 /nfs/dbraw/zinc/37/74/29/174377429.db2.gz KPCPHLOJFRURCN-WBVHZDCISA-N 2 0 279.472 2.454 10 0 CEAERP C[C@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000040767726 174398232 /nfs/dbraw/zinc/39/82/32/174398232.db2.gz NRKUNMSHTOQDIK-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP COc1cccc([C@H]([NH3+])CN(CC[NH+](C)C)CC(C)C)c1 ZINC000042748528 174866562 /nfs/dbraw/zinc/86/65/62/174866562.db2.gz DRYAREQWIYXZIL-QGZVFWFLSA-N 2 0 293.455 2.215 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000042902292 174905665 /nfs/dbraw/zinc/90/56/65/174905665.db2.gz NLRBWJUAJPQNCA-PBHICJAKSA-N 2 0 275.440 2.349 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347948 175018010 /nfs/dbraw/zinc/01/80/10/175018010.db2.gz JNTTZIKYCURXJZ-SJORKVTESA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354131 175021373 /nfs/dbraw/zinc/02/13/73/175021373.db2.gz CGNHOZPHMHQCDI-JKSUJKDBSA-N 2 0 290.455 2.276 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810671 175109858 /nfs/dbraw/zinc/10/98/58/175109858.db2.gz DQCOFEPZSZHUID-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810964 175110497 /nfs/dbraw/zinc/11/04/97/175110497.db2.gz WFWQPEGITFDKOG-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000043815407 175112246 /nfs/dbraw/zinc/11/22/46/175112246.db2.gz VVVFOXRPLLJDDG-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000043815292 175112280 /nfs/dbraw/zinc/11/22/80/175112280.db2.gz GSSVMXDZQYVPEL-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818427 175113282 /nfs/dbraw/zinc/11/32/82/175113282.db2.gz RWVSFYITABCJKN-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817813 175113473 /nfs/dbraw/zinc/11/34/73/175113473.db2.gz WBVTTYISKSLREI-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH+]1CCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043826374 175114533 /nfs/dbraw/zinc/11/45/33/175114533.db2.gz AZACTZCVZLALCI-HRCADAONSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896877 175119115 /nfs/dbraw/zinc/11/91/15/175119115.db2.gz OMYFSVLEMPZRJL-NVXWUHKLSA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897005 175119898 /nfs/dbraw/zinc/11/98/98/175119898.db2.gz FIHKGXYIQWPHAI-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897241 175120057 /nfs/dbraw/zinc/12/00/57/175120057.db2.gz SOXBNYSVCNHVBE-RHSMWYFYSA-N 2 0 275.440 2.362 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897549 175120773 /nfs/dbraw/zinc/12/07/73/175120773.db2.gz UQNLWDOWIRUWHJ-HIFRSBDPSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000043967566 175128337 /nfs/dbraw/zinc/12/83/37/175128337.db2.gz QBBJXGZTGWHKQW-GOSISDBHSA-N 2 0 287.451 2.344 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970572 175131708 /nfs/dbraw/zinc/13/17/08/175131708.db2.gz QQHBXIFCJJANNE-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970679 175131931 /nfs/dbraw/zinc/13/19/31/175131931.db2.gz QPBWPMAWOPXPQM-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)[NH+](CCNC(=O)C1(C[NH3+])CCCCC1)C(C)C ZINC000044762012 175246497 /nfs/dbraw/zinc/24/64/97/175246497.db2.gz HCOAOYUTYOZBES-UHFFFAOYSA-N 2 0 283.460 2.131 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000044794778 175254596 /nfs/dbraw/zinc/25/45/96/175254596.db2.gz MJDVDQOBRPKFGB-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP C[C@@H](Cn1c(N)[nH+]c2ccccc21)[NH+]1CCCCC1 ZINC000045005544 175288257 /nfs/dbraw/zinc/28/82/57/175288257.db2.gz LEVWFJKUKHDCAZ-LBPRGKRZSA-N 2 0 258.369 2.493 10 0 CEAERP C[C@H](Cn1c(N)[nH+]c2cccc(Cl)c21)[NH+](C)C ZINC000045108623 175308784 /nfs/dbraw/zinc/30/87/84/175308784.db2.gz NSWGJGYTKVDLJX-MRVPVSSYSA-N 2 0 252.749 2.222 10 0 CEAERP CC(C)[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374854 175365429 /nfs/dbraw/zinc/36/54/29/175365429.db2.gz WIBDCKPVPIGCRQ-MRXNPFEDSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[NH+](CCC)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045378587 175367839 /nfs/dbraw/zinc/36/78/39/175367839.db2.gz RFQRIIOOERJXBC-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCC(CC)[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045391663 175374634 /nfs/dbraw/zinc/37/46/34/175374634.db2.gz KQOMSMNWSJNQTB-OAHLLOKOSA-N 2 0 271.449 2.129 10 0 CEAERP CC[C@]1(C)C[C@H]([NH+]2CCC(C[NH2+]C)CC2)CCO1 ZINC000070368183 175897995 /nfs/dbraw/zinc/89/79/95/175897995.db2.gz VUORDYFDRSRZFG-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H](c1ccc(C)cc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148619 176044758 /nfs/dbraw/zinc/04/47/58/176044758.db2.gz VIWMLIVZOABWOC-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP C[N@@H+](Cc1ccc(Cl)c(N)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071187769 176062128 /nfs/dbraw/zinc/06/21/28/176062128.db2.gz KXPKTRJAFRQDTH-GFCCVEGCSA-N 2 0 267.804 2.306 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188341 176062766 /nfs/dbraw/zinc/06/27/66/176062766.db2.gz PWCSKODXNGKDOX-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188928 176063434 /nfs/dbraw/zinc/06/34/34/176063434.db2.gz OTWGNIQPQOFXFI-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP Cc1ccc(C)c([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188749 176063825 /nfs/dbraw/zinc/06/38/25/176063825.db2.gz WKODBTBTILBNJR-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188674 176063916 /nfs/dbraw/zinc/06/39/16/176063916.db2.gz HUGUSAZEXXQHID-LVQVYYBASA-N 2 0 267.461 2.166 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188985 176065030 /nfs/dbraw/zinc/06/50/30/176065030.db2.gz OVWXUZIFTXXADT-INMHGKMJSA-N 2 0 275.440 2.219 10 0 CEAERP CN(CC[C@H]([NH3+])c1ccccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071191261 176069341 /nfs/dbraw/zinc/06/93/41/176069341.db2.gz QBKZWWRHPFGSKS-CJNGLKHVSA-N 2 0 279.403 2.099 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071191410 176070435 /nfs/dbraw/zinc/07/04/35/176070435.db2.gz VDEUPUQLDSMKKK-NVXWUHKLSA-N 2 0 275.440 2.268 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ncccc1C[NH2+]C(C)(C)C ZINC000071191654 176070648 /nfs/dbraw/zinc/07/06/48/176070648.db2.gz HXRBJUJQKNULRU-CQSZACIVSA-N 2 0 290.455 2.358 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000071192102 176073884 /nfs/dbraw/zinc/07/38/84/176073884.db2.gz IDAWZLHRZCVANI-YJBOKZPZSA-N 2 0 287.451 2.363 10 0 CEAERP Cc1oc(C[NH2+]C2CC2)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192076 176073890 /nfs/dbraw/zinc/07/38/90/176073890.db2.gz MDKYDJMSXOBXQH-CQSZACIVSA-N 2 0 291.439 2.224 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071193057 176075430 /nfs/dbraw/zinc/07/54/30/176075430.db2.gz SEMXLSUOOFLKOU-STQMWFEESA-N 2 0 290.411 2.122 10 0 CEAERP CC[NH2+][C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071198101 176076620 /nfs/dbraw/zinc/07/66/20/176076620.db2.gz OXWLSAQOQFNQAZ-QGZVFWFLSA-N 2 0 287.451 2.335 10 0 CEAERP CC(C)[NH2+][C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197767 176076665 /nfs/dbraw/zinc/07/66/65/176076665.db2.gz BOTIMSXTTKLTMD-HNNXBMFYSA-N 2 0 255.450 2.178 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CC2CC[NH+](CC)CC2)C1 ZINC000071200992 176077458 /nfs/dbraw/zinc/07/74/58/176077458.db2.gz PBURYSWRFYTFNG-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CC2CC[NH+](CC)CC2)C1 ZINC000071200993 176077838 /nfs/dbraw/zinc/07/78/38/176077838.db2.gz PBURYSWRFYTFNG-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]C3CC3)C2)CC1 ZINC000071201399 176078220 /nfs/dbraw/zinc/07/82/20/176078220.db2.gz 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/nfs/dbraw/zinc/69/49/75/521694975.db2.gz XZRPOBBFALPGDF-QGZVFWFLSA-N 2 0 273.424 2.117 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1CC[NH2+]C1CCCCCC1 ZINC000061655122 521868266 /nfs/dbraw/zinc/86/82/66/521868266.db2.gz IVVORPIMUDRCSQ-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccn1 ZINC000054601816 521953527 /nfs/dbraw/zinc/95/35/27/521953527.db2.gz GYPOHOHOWNREEA-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH+](C)C(C)C ZINC000054629300 521956147 /nfs/dbraw/zinc/95/61/47/521956147.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 3 0 267.461 2.322 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](CCCN(C)c2ccccc2)C1 ZINC000053011980 522090445 /nfs/dbraw/zinc/09/04/45/522090445.db2.gz IJSLMBZXVLOVKO-OAHLLOKOSA-N 2 0 261.413 2.054 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)O1 ZINC000052514087 522092519 /nfs/dbraw/zinc/09/25/19/522092519.db2.gz HHXYYOLXPZUFBD-TUVASFSCSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(CC)(CC)C[NH2+]C)CC1 ZINC000055072183 522119586 /nfs/dbraw/zinc/11/95/86/522119586.db2.gz JCQLUWSZZFFEST-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055075477 522121091 /nfs/dbraw/zinc/12/10/91/522121091.db2.gz VDRHADNDNBOBMG-OAHLLOKOSA-N 2 0 295.496 2.296 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065219 522121251 /nfs/dbraw/zinc/12/12/51/522121251.db2.gz KDKARGWBQBALTF-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072562 522124369 /nfs/dbraw/zinc/12/43/69/522124369.db2.gz BLIDCSDEMZZBOK-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064300 522128235 /nfs/dbraw/zinc/12/82/35/522128235.db2.gz DUAPZTDVQSFLFV-WBMJQRKESA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064562 522128884 /nfs/dbraw/zinc/12/88/84/522128884.db2.gz FDNWQTFRSBTKRO-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055064173 522131650 /nfs/dbraw/zinc/13/16/50/522131650.db2.gz ABWNVHQQXNHJNM-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc(C[NH2+]C)cc2Cl)CC1 ZINC000055073411 522137541 /nfs/dbraw/zinc/13/75/41/522137541.db2.gz KIYHJGPTUNHWJT-GFCCVEGCSA-N 2 0 296.846 2.375 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C[NH2+]C)CC1 ZINC000055073329 522138063 /nfs/dbraw/zinc/13/80/63/522138063.db2.gz PXEWKOHOLZTRTO-OAHLLOKOSA-N 2 0 290.455 2.338 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571589 522191818 /nfs/dbraw/zinc/19/18/18/522191818.db2.gz DKQUYKVRLOJHAP-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000055077239 522344572 /nfs/dbraw/zinc/34/45/72/522344572.db2.gz PTYJRLKZZNMIDR-GOEBONIOSA-N 2 0 279.428 2.332 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082050 522378534 /nfs/dbraw/zinc/37/85/34/522378534.db2.gz BEVCWHSXKFPEJC-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049562086 522449200 /nfs/dbraw/zinc/44/92/00/522449200.db2.gz UEKHCRGNBXHSQV-CHWSQXEVSA-N 2 0 292.427 2.429 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](N1CC[C@H]([NH+](CC)CC)C1)C(F)(F)F ZINC000062977314 522646871 /nfs/dbraw/zinc/64/68/71/522646871.db2.gz FXHFTLCLRNODHZ-QJPTWQEYSA-N 2 0 281.366 2.071 10 0 CEAERP COC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455443 522703963 /nfs/dbraw/zinc/70/39/63/522703963.db2.gz FLOMHAIRHWRYTA-CABCVRRESA-N 2 0 284.444 2.033 10 0 CEAERP C[N@H+](CCc1ccccn1)Cc1cc(F)ccc1C[NH3+] ZINC000069401169 522965574 /nfs/dbraw/zinc/96/55/74/522965574.db2.gz PLCFGOGMAOTYSP-UHFFFAOYSA-N 2 0 273.355 2.354 10 0 CEAERP COCCC[N@H+](CCCCC[NH2+]C(C)C)CCOC ZINC000052543291 523240745 /nfs/dbraw/zinc/24/07/45/523240745.db2.gz WUGRAUHMMPLZHP-UHFFFAOYSA-N 2 0 274.449 2.140 10 0 CEAERP COCCC[N@H+](CCOC)[C@H](CC[NH3+])c1ccccc1 ZINC000055016974 523257420 /nfs/dbraw/zinc/25/74/20/523257420.db2.gz SCDLHJSDZQLAOC-MRXNPFEDSA-N 2 0 280.412 2.061 10 0 CEAERP CC[C@@H]1CSC(N[C@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502344 523519939 /nfs/dbraw/zinc/51/99/39/523519939.db2.gz XFEKWZVCGAIXDA-VXGBXAGGSA-N 2 0 255.431 2.332 10 0 CEAERP COCC[N@H+](Cc1occc1C[NH2+]C(C)C)C1CC1 ZINC000052542406 523779422 /nfs/dbraw/zinc/77/94/22/523779422.db2.gz CNUXLALJZCJEDS-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC[C@H](C)[N@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052451271 523934004 /nfs/dbraw/zinc/93/40/04/523934004.db2.gz HVCBZRVCTDOCDE-AWEZNQCLSA-N 2 0 281.448 2.144 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055069228 523953423 /nfs/dbraw/zinc/95/34/23/523953423.db2.gz RUFWWFYIPTWLPU-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074752 523955262 /nfs/dbraw/zinc/95/52/62/523955262.db2.gz QSEFDWGEVFLTDC-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067247 523956852 /nfs/dbraw/zinc/95/68/52/523956852.db2.gz IKBIBXOYJNASNS-LBPRGKRZSA-N 2 0 292.402 2.026 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065513 523957669 /nfs/dbraw/zinc/95/76/69/523957669.db2.gz AUUNBEWLCWEJHZ-SOUVJXGZSA-N 2 0 253.434 2.063 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074882 523958560 /nfs/dbraw/zinc/95/85/60/523958560.db2.gz NNBQFLGLRLHAPS-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074468 523959541 /nfs/dbraw/zinc/95/95/41/523959541.db2.gz PFTGWDYJVYCBEO-JKSUJKDBSA-N 2 0 269.477 2.425 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)cc1 ZINC000063051328 524048353 /nfs/dbraw/zinc/04/83/53/524048353.db2.gz RMUQXGUROHYMJX-KRWDZBQOSA-N 2 0 275.440 2.276 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953608 524049562 /nfs/dbraw/zinc/04/95/62/524049562.db2.gz RDGVFIRVMUOUEV-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000049557294 524163497 /nfs/dbraw/zinc/16/34/97/524163497.db2.gz ZKEMQNJQKKIUFM-BXUZGUMPSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@H]1CCC[C@](CNc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000050606224 524224621 /nfs/dbraw/zinc/22/46/21/524224621.db2.gz JKGLHYHQVWDMNO-JSGCOSHPSA-N 2 0 250.390 2.343 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000049557277 524473436 /nfs/dbraw/zinc/47/34/36/524473436.db2.gz CLYICSXQXYCSBM-FZMZJTMJSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N1CC[C@H]([NH+](C)C)C1 ZINC000062964021 524838920 /nfs/dbraw/zinc/83/89/20/524838920.db2.gz BBWMYVNETXHGTF-HUBLWGQQSA-N 2 0 281.831 2.364 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977464 525006626 /nfs/dbraw/zinc/00/66/26/525006626.db2.gz WEGVIFLKBUBHJS-PVAVHDDUSA-N 2 0 273.424 2.245 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642049 525433229 /nfs/dbraw/zinc/43/32/29/525433229.db2.gz IYGAXUXKUSPRHZ-UXLLHSPISA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642061 525756129 /nfs/dbraw/zinc/75/61/29/525756129.db2.gz DHCQHUSJZWKWQG-CHWSQXEVSA-N 2 0 267.442 2.082 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c(C)c1 ZINC000061643096 525757847 /nfs/dbraw/zinc/75/78/47/525757847.db2.gz NHFUIFGAUHTDKJ-NVXWUHKLSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccsc1[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077418 525870593 /nfs/dbraw/zinc/87/05/93/525870593.db2.gz YEXKUPCMHGROEK-CQSZACIVSA-N 2 0 281.469 2.330 10 0 CEAERP [NH3+]C1CCC([NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000055144252 527139994 /nfs/dbraw/zinc/13/99/94/527139994.db2.gz UDXIFVWZXCLKOS-UHFFFAOYSA-N 2 0 277.387 2.218 10 0 CEAERP [NH3+]Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000061702139 527257421 /nfs/dbraw/zinc/25/74/21/527257421.db2.gz IPAOYSIABQQELH-MRXNPFEDSA-N 2 0 283.375 2.194 10 0 CEAERP [NH3+]Cc1oc2ccccc2c1C[NH+]1CCSCC1 ZINC000052425559 527267674 /nfs/dbraw/zinc/26/76/74/527267674.db2.gz DIGICBQMMXRXLQ-UHFFFAOYSA-N 2 0 262.378 2.440 10 0 CEAERP OC1CC[NH+](CC2(C[NH2+]C3CC3)CCCCC2)CC1 ZINC000051207263 527516913 /nfs/dbraw/zinc/51/69/13/527516913.db2.gz LIUGFCWHTBTEQV-UHFFFAOYSA-N 2 0 266.429 2.146 10 0 CEAERP OCC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCCC1 ZINC000062035823 527522138 /nfs/dbraw/zinc/52/21/38/527522138.db2.gz GVSYPOBRKDKOMP-UHFFFAOYSA-N 2 0 280.456 2.347 10 0 CEAERP CC[NH2+]Cc1ccc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)nc1 ZINC000094443279 535479910 /nfs/dbraw/zinc/47/99/10/535479910.db2.gz IQIDCAWYKVLUCZ-GOEBONIOSA-N 2 0 288.439 2.254 10 0 CEAERP CC[NH+]1CCN(c2cccc(Cl)c2C[C@@H](C)[NH3+])CC1 ZINC000104267270 535749905 /nfs/dbraw/zinc/74/99/05/535749905.db2.gz GFHNUDIXOWHENZ-GFCCVEGCSA-N 2 0 281.831 2.372 10 0 CEAERP CC(C)[C@@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149864 574510633 /nfs/dbraw/zinc/51/06/33/574510633.db2.gz OSVDQWZTDITUQA-ZFWWWQNUSA-N 2 0 254.418 2.469 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461658 628662516 /nfs/dbraw/zinc/66/25/16/628662516.db2.gz BCNGRVUWEZIURC-IBEHDNSVSA-N 2 0 266.429 2.048 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000261560400 628938811 /nfs/dbraw/zinc/93/88/11/628938811.db2.gz ZWIQATSHKBIPIQ-QZTJIDSGSA-N 2 0 287.451 2.240 10 0 CEAERP C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151292732 639255373 /nfs/dbraw/zinc/25/53/73/639255373.db2.gz HMRABIBORWYMTE-KBPBESRZSA-N 2 0 288.501 2.343 10 0 CEAERP c1coc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000133567252 652665635 /nfs/dbraw/zinc/66/56/35/652665635.db2.gz NPRMFHVLQUQJMT-LSDHHAIUSA-N 2 0 277.412 2.148 10 0 CEAERP CCc1nc(CC[NH+](C)C)sc1C[NH2+]C(C)C ZINC000082425746 178000088 /nfs/dbraw/zinc/00/00/88/178000088.db2.gz DCCXYPRDBPVFIC-UHFFFAOYSA-N 2 0 255.431 2.308 10 0 CEAERP CCc1nc(CC[NH+](CC)CC)sc1C[NH2+]C ZINC000082425771 178000701 /nfs/dbraw/zinc/00/07/01/178000701.db2.gz GNCGZIMXTSVRLO-UHFFFAOYSA-N 2 0 255.431 2.309 10 0 CEAERP CCCc1nc(CC[NH+](C)C)sc1C[NH2+]CC ZINC000082428817 178005135 /nfs/dbraw/zinc/00/51/35/178005135.db2.gz NRAURDUBDSGNEK-UHFFFAOYSA-N 2 0 255.431 2.309 10 0 CEAERP C[NH+](C)CCN1CCC[C@@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096071420 185086586 /nfs/dbraw/zinc/08/65/86/185086586.db2.gz ZEQNGQLFJGPFAH-QGZVFWFLSA-N 2 0 291.439 2.272 10 0 CEAERP C[NH+](C)CCN1CCC[C@]12CCC[N@H+](Cc1ccco1)C2 ZINC000096071421 185086633 /nfs/dbraw/zinc/08/66/33/185086633.db2.gz ZEQNGQLFJGPFAH-KRWDZBQOSA-N 2 0 291.439 2.272 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000164386769 282236973 /nfs/dbraw/zinc/23/69/73/282236973.db2.gz MQOOFRNOOFSCND-HZPDHXFCSA-N 2 0 295.471 2.003 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136193254 344384017 /nfs/dbraw/zinc/38/40/17/344384017.db2.gz LHMLWLNGXSKWOS-HOCLYGCPSA-N 2 0 283.460 2.145 10 0 CEAERP C[N@@H+](Cc1cccc2c1OCO2)C[C@@H]1CCc2nccn2C1 ZINC000328657011 344758245 /nfs/dbraw/zinc/75/82/45/344758245.db2.gz ZXEWTEIMQOQKQB-ZDUSSCGKSA-N 2 0 299.374 2.306 10 0 CEAERP C[N@@H+]1CCCC[C@H]1COCc1ccc(CC[NH3+])cc1 ZINC000097811103 185670459 /nfs/dbraw/zinc/67/04/59/185670459.db2.gz MPHRNBWGWWAFHJ-INIZCTEOSA-N 2 0 262.397 2.189 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573500 179097891 /nfs/dbraw/zinc/09/78/91/179097891.db2.gz UFJFQZDJDLXFPI-ZDUSSCGKSA-N 2 0 290.455 2.483 10 0 CEAERP CC[N@@H+]1CCC[C@H](n2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085572785 179098789 /nfs/dbraw/zinc/09/87/89/179098789.db2.gz OKVRWMHMJPLBMZ-AWEZNQCLSA-N 2 0 290.455 2.384 10 0 CEAERP C[N@@H+]1CCC[C@@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606877 179100096 /nfs/dbraw/zinc/10/00/96/179100096.db2.gz BLEPIFPDBLKDDM-CQSZACIVSA-N 2 0 288.439 2.453 10 0 CEAERP C([C@@H]1CCCO1)[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615151 179104660 /nfs/dbraw/zinc/10/46/60/179104660.db2.gz RKCCQPYBAHILQR-JKSUJKDBSA-N 2 0 266.429 2.410 10 0 CEAERP Cc1[nH+]ccc(N2CCC(OCCC[NH3+])CC2)c1Cl ZINC000336817325 365860586 /nfs/dbraw/zinc/86/05/86/365860586.db2.gz PTXRFUVAGGMKIG-UHFFFAOYSA-N 2 0 283.803 2.378 10 0 CEAERP CC[C@@](C[NH3+])(C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000086120648 179235144 /nfs/dbraw/zinc/23/51/44/179235144.db2.gz PVZHDCOZPOIHRP-MRXNPFEDSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174172 179245976 /nfs/dbraw/zinc/24/59/76/179245976.db2.gz UURGXJOOHOPTBW-IXDOHACOSA-N 2 0 281.488 2.425 10 0 CEAERP CCC1(CC)CN(C[C@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146562 179238843 /nfs/dbraw/zinc/23/88/43/179238843.db2.gz DEZNZKALGMGCNO-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146723 179239184 /nfs/dbraw/zinc/23/91/84/179239184.db2.gz SCSPVQFDTUHOGS-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224011 179252948 /nfs/dbraw/zinc/25/29/48/179252948.db2.gz GCKFSOSLVDFSLD-OWCLPIDISA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224019 179253504 /nfs/dbraw/zinc/25/35/04/179253504.db2.gz NCMSQXIGUBOKSS-HZPDHXFCSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223941 179253552 /nfs/dbraw/zinc/25/35/52/179253552.db2.gz FIARODJHDJJYLD-RRFJBIMHSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@]1(C)CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259209 179258108 /nfs/dbraw/zinc/25/81/08/179258108.db2.gz BBDKCWVJMMOAJQ-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@@](C)(c3ccccc3)C2)CC1 ZINC000086286986 179264114 /nfs/dbraw/zinc/26/41/14/179264114.db2.gz QYFPRKZYOURFMC-GOSISDBHSA-N 2 0 287.451 2.291 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086291706 179266393 /nfs/dbraw/zinc/26/63/93/179266393.db2.gz RBIKWVHGKAXETO-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CO[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293542 179268244 /nfs/dbraw/zinc/26/82/44/179268244.db2.gz GDVFXJXNYGERHL-KGLIPLIRSA-N 2 0 252.402 2.162 10 0 CEAERP CCC[C@H](COC)[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086299577 179269180 /nfs/dbraw/zinc/26/91/80/179269180.db2.gz XJANCCZWQRFXND-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CCN(Cc1cccs1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819401 179348783 /nfs/dbraw/zinc/34/87/83/179348783.db2.gz NCQRPELEVXLCRZ-HNNXBMFYSA-N 2 0 281.469 2.383 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH2+][C@H]1CCC[NH+](C)CC1 ZINC000086819000 179348956 /nfs/dbraw/zinc/34/89/56/179348956.db2.gz RNYUDTFFKXKXAU-HNNXBMFYSA-N 3 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835007 179349305 /nfs/dbraw/zinc/34/93/05/179349305.db2.gz BFADYARUCRNRHQ-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000086818517 179346689 /nfs/dbraw/zinc/34/66/89/179346689.db2.gz JXMQMJMHNIBCEK-CQSZACIVSA-N 2 0 295.471 2.097 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCSCC2)CC1 ZINC000086847532 179357254 /nfs/dbraw/zinc/35/72/54/179357254.db2.gz YHLHKIXGBSWFHT-OAHLLOKOSA-N 2 0 285.501 2.017 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086834998 179350499 /nfs/dbraw/zinc/35/04/99/179350499.db2.gz SIWJSHRDDJTLKF-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N(C)C)CC1 ZINC000086837779 179351417 /nfs/dbraw/zinc/35/14/17/179351417.db2.gz DQWMZTQZZODPIZ-CVEARBPZSA-N 2 0 297.487 2.343 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086843364 179352913 /nfs/dbraw/zinc/35/29/13/179352913.db2.gz ZMWDOVAUVBXIQG-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843149 179353331 /nfs/dbraw/zinc/35/33/31/179353331.db2.gz LAKNNHQLJURXJV-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[N@H+](C)CCN[C@H]1CCC[NH+](C(C)C)CC1 ZINC000086844334 179354426 /nfs/dbraw/zinc/35/44/26/179354426.db2.gz FKAPFSDGYJEJNT-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845055 179354553 /nfs/dbraw/zinc/35/45/53/179354553.db2.gz WCDHYLKIGRVDGJ-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP CCN(C(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846705 179355344 /nfs/dbraw/zinc/35/53/44/179355344.db2.gz WRFQBZLZIQNIGL-HNNXBMFYSA-N 2 0 255.450 2.309 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc3C2)CC1 ZINC000086846519 179355509 /nfs/dbraw/zinc/35/55/09/179355509.db2.gz KASRMRIRYHMVEZ-GOSISDBHSA-N 2 0 287.451 2.248 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851151 179359479 /nfs/dbraw/zinc/35/94/79/179359479.db2.gz ZCIHTAGSNXAPNA-CVEARBPZSA-N 2 0 267.461 2.453 10 0 CEAERP CC[N@H+](Cc1ccccc1)[C@]1(C[NH3+])CCCOCC1 ZINC000086874889 179364794 /nfs/dbraw/zinc/36/47/94/179364794.db2.gz KZTYETKHVSWCJS-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849630 179358274 /nfs/dbraw/zinc/35/82/74/179358274.db2.gz PHQZYBXMAHTVEZ-INIZCTEOSA-N 2 0 281.444 2.027 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087017728 179380768 /nfs/dbraw/zinc/38/07/68/179380768.db2.gz QZHDRGFSMYZDEL-ZIAGYGMSSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)(C)[NH2+]CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000087463677 179428973 /nfs/dbraw/zinc/42/89/73/179428973.db2.gz PXZWYYLXVIOWJZ-UHFFFAOYSA-N 2 0 268.445 2.392 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([NH2+]C[C@@H]2CCCO2)CC1 ZINC000087928284 179523916 /nfs/dbraw/zinc/52/39/16/179523916.db2.gz XPSNIGFQMDCBHL-QLFBSQMISA-N 2 0 254.418 2.443 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000089452250 539717347 /nfs/dbraw/zinc/71/73/47/539717347.db2.gz JHHWGKCJUFZYMQ-ZFWWWQNUSA-N 2 0 275.396 2.062 10 0 CEAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090876269 180050619 /nfs/dbraw/zinc/05/06/19/180050619.db2.gz JWYBJLQFDQEEEL-CABCVRRESA-N 2 0 260.381 2.193 10 0 CEAERP CC[C@@H]1CCCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958011 180074729 /nfs/dbraw/zinc/07/47/29/180074729.db2.gz CIFGTNZALPFXMZ-GFCCVEGCSA-N 2 0 253.415 2.409 10 0 CEAERP [NH3+]CCCC[N@@H+]1CCCN(C[C@@H]2Cc3ccccc32)CC1 ZINC000090975955 180078714 /nfs/dbraw/zinc/07/87/14/180078714.db2.gz XXGXNTSTUFBVFG-KRWDZBQOSA-N 2 0 287.451 2.073 10 0 CEAERP C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000091313706 180133185 /nfs/dbraw/zinc/13/31/85/180133185.db2.gz UVOLOQKWPMZGDW-RRFJBIMHSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)C[NH2+]Cc1cncc(OCC[C@H]2CCC[N@@H+]2C)n1 ZINC000091434620 180154620 /nfs/dbraw/zinc/15/46/20/180154620.db2.gz UJGQJGBPZFRVKR-OAHLLOKOSA-N 2 0 292.427 2.085 10 0 CEAERP CCc1cc(C[NH+]2CCC(C[NH3+])(SC)CC2)n(CC)n1 ZINC000091471887 180165503 /nfs/dbraw/zinc/16/55/03/180165503.db2.gz CFTDRKXONRAFKB-UHFFFAOYSA-N 2 0 296.484 2.122 10 0 CEAERP CC[C@@](C)(C[NH2+]CC(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091491162 180170249 /nfs/dbraw/zinc/17/02/49/180170249.db2.gz XEUIGJCXSBSOQP-GPANFISMSA-N 2 0 270.461 2.351 10 0 CEAERP CC(C)[C@H](CC[NH3+])CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091392175 180144815 /nfs/dbraw/zinc/14/48/15/180144815.db2.gz FBYQHNBWZUKDQN-HOTGVXAUSA-N 2 0 269.477 2.414 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393123 180145777 /nfs/dbraw/zinc/14/57/77/180145777.db2.gz DHUUDSFOILZSBM-PVAVHDDUSA-N 2 0 275.440 2.362 10 0 CEAERP Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091395691 180146135 /nfs/dbraw/zinc/14/61/35/180146135.db2.gz XYIVVTXRMZHREJ-XIRDDKMYSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H](CC[NH3+])CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395350 180146420 /nfs/dbraw/zinc/14/64/20/180146420.db2.gz YHECKRLPDLQIJC-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[NH+]1CCC(CO)CC1 ZINC000091402183 180147047 /nfs/dbraw/zinc/14/70/47/180147047.db2.gz YNMSRQGYSCOBEP-CYBMUJFWSA-N 2 0 256.434 2.105 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000091404644 180147053 /nfs/dbraw/zinc/14/70/53/180147053.db2.gz AZFIQVPYAYNIMT-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091427484 180151885 /nfs/dbraw/zinc/15/18/85/180151885.db2.gz WKWABUWXLLQTKZ-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091428373 180152703 /nfs/dbraw/zinc/15/27/03/180152703.db2.gz FLMUPSGVWIQHDT-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)[C@@](C)(CC)[C@@H](O)Cc1c[nH+]ccc1N ZINC000091573030 180196466 /nfs/dbraw/zinc/19/64/66/180196466.db2.gz WLZCJYWXMMEHFB-GJZGRUSLSA-N 2 0 265.401 2.078 10 0 CEAERP CC[C@](C)([C@H]([NH3+])CC1CCOCC1)[NH+]1CCCC1 ZINC000091604757 180203945 /nfs/dbraw/zinc/20/39/45/180203945.db2.gz VDBWPLGMQUXVLM-HUUCEWRRSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@](C)([C@@H]([NH2+]C)C1CCOCC1)[NH+]1CCCC1 ZINC000091606000 180204537 /nfs/dbraw/zinc/20/45/37/180204537.db2.gz OCOOJIJZSPSBPG-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@H](C1CCOCC1)C1([NH+](C)C)CCCCC1 ZINC000091647383 180215657 /nfs/dbraw/zinc/21/56/57/180215657.db2.gz IHYOXJMIDLZHIE-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+][C@H](CC[NH+](CC)CC)Cc1cc(CC)nn1C ZINC000091716560 180232232 /nfs/dbraw/zinc/23/22/32/180232232.db2.gz HQWOWPOYBXUZFP-OAHLLOKOSA-N 2 0 280.460 2.235 10 0 CEAERP CC[N@H+](CC(=O)N(C)C1=CCCC1)C1CCC([NH3+])CC1 ZINC000091851062 180272401 /nfs/dbraw/zinc/27/24/01/180272401.db2.gz PIHYBSKVPCPCCD-UHFFFAOYSA-N 2 0 279.428 2.104 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)N1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852384 180272937 /nfs/dbraw/zinc/27/29/37/180272937.db2.gz RFPPVPDMSBZHTA-FHERZECASA-N 2 0 295.471 2.369 10 0 CEAERP CC[N@H+]([C@@H](C)C(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091850724 180271724 /nfs/dbraw/zinc/27/17/24/180271724.db2.gz DCUYSMTXCWYOJE-FHERZECASA-N 2 0 295.471 2.369 10 0 CEAERP CC[N@H+]([C@@H](C)C(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091851074 180271790 /nfs/dbraw/zinc/27/17/90/180271790.db2.gz ILYWGNWJANBHAS-HLIUYOAVSA-N 2 0 295.471 2.416 10 0 CEAERP CC[N@H+](Cc1ccoc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091851073 180271979 /nfs/dbraw/zinc/27/19/79/180271979.db2.gz KKQOUFRMPAJTIZ-UHFFFAOYSA-N 2 0 280.368 2.158 10 0 CEAERP CC[N@H+](CCO[C@@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850928 180272017 /nfs/dbraw/zinc/27/20/17/180272017.db2.gz NMGMPOUAJYYIJN-YMAMQOFZSA-N 2 0 270.417 2.121 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000091870457 180277403 /nfs/dbraw/zinc/27/74/03/180277403.db2.gz CMSBQVZKSIZBAK-HESLUPGFSA-N 2 0 283.460 2.142 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004227 180304979 /nfs/dbraw/zinc/30/49/79/180304979.db2.gz REOVFBRFVZCDFN-OAGGEKHMSA-N 2 0 295.471 2.227 10 0 CEAERP CCc1nn(CC[NH+](C)C)c(CC)c1CC[NH2+]C(C)C ZINC000092322975 180362320 /nfs/dbraw/zinc/36/23/20/180362320.db2.gz PUJCVZBIWUWYGF-UHFFFAOYSA-N 2 0 280.460 2.110 10 0 CEAERP Cc1nn(-c2cc[nH+]cc2)c(C)c1CC[NH2+]C1CC1 ZINC000092321717 180362458 /nfs/dbraw/zinc/36/24/58/180362458.db2.gz SFLKSYOUGICOFO-UHFFFAOYSA-N 2 0 256.353 2.179 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1cc(C)nc2ccccc12 ZINC000092347587 180367068 /nfs/dbraw/zinc/36/70/68/180367068.db2.gz VRTJSMRKTIHSBD-UHFFFAOYSA-N 2 0 287.407 2.340 10 0 CEAERP Cc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000092431279 180384264 /nfs/dbraw/zinc/38/42/64/180384264.db2.gz IDHHAOLELIWDSO-INIZCTEOSA-N 2 0 259.397 2.354 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](CO)C(C)C)CC1 ZINC000092392765 180376074 /nfs/dbraw/zinc/37/60/74/180376074.db2.gz GTZFLONYFUAQDD-ZFWWWQNUSA-N 2 0 256.434 2.103 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(NC)cc[nH+]2)CC1 ZINC000092419009 180382304 /nfs/dbraw/zinc/38/23/04/180382304.db2.gz XWRXUVWTWJZYTJ-CYBMUJFWSA-N 2 0 262.401 2.039 10 0 CEAERP C[C@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000107908231 186197274 /nfs/dbraw/zinc/19/72/74/186197274.db2.gz URQKFQYWOIDMII-GWCFXTLKSA-N 2 0 285.794 2.115 10 0 CEAERP CC[NH2+][C@H](C)[C@@H](CC)c1nc(CC[NH+](CC)CC)no1 ZINC000109496131 186256323 /nfs/dbraw/zinc/25/63/23/186256323.db2.gz FMXPELBKZOQTGF-CHWSQXEVSA-N 2 0 282.432 2.446 10 0 CEAERP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccnc3CC)ccc21 ZINC000109573058 186264081 /nfs/dbraw/zinc/26/40/81/186264081.db2.gz FOPPEBPTUOSGJW-AWEZNQCLSA-N 2 0 270.336 2.037 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cc(CO)[nH+]c2ccccc21 ZINC000109594735 186264640 /nfs/dbraw/zinc/26/46/40/186264640.db2.gz YGORSBKYTDUSST-CQSZACIVSA-N 2 0 285.391 2.258 10 0 CEAERP CCOC(=O)C1CC[NH+](Cc2ccc(F)cc2C[NH3+])CC1 ZINC000109603678 186266646 /nfs/dbraw/zinc/26/66/46/186266646.db2.gz USXIRUQTNLZGTN-UHFFFAOYSA-N 2 0 294.370 2.060 10 0 CEAERP CCOC(=O)CC[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685342 186268896 /nfs/dbraw/zinc/26/88/96/186268896.db2.gz RAIMAFIEEAENON-BFHYXJOUSA-N 2 0 270.417 2.025 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C[NH3+] ZINC000109359491 186249340 /nfs/dbraw/zinc/24/93/40/186249340.db2.gz GTNCWXIPABDQPL-ZDUSSCGKSA-N 2 0 284.407 2.081 10 0 CEAERP CCCCCC[NH+]1CCN([C@H](C[NH3+])CCC)CC1 ZINC000110444267 186296711 /nfs/dbraw/zinc/29/67/11/186296711.db2.gz DSCSUSLEZNDDGO-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CC[NH+](CC)CCn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629342 186307986 /nfs/dbraw/zinc/30/79/86/186307986.db2.gz XLRYWCFXJRNLQH-UHFFFAOYSA-N 2 0 280.347 2.108 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000110645185 186308476 /nfs/dbraw/zinc/30/84/76/186308476.db2.gz WBAWXJHIVJHQLY-QAPCUYQASA-N 2 0 287.451 2.320 10 0 CEAERP CN(C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000110926703 186333333 /nfs/dbraw/zinc/33/33/33/186333333.db2.gz NRCPGWDGZRRGSE-GOSISDBHSA-N 2 0 287.451 2.335 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CC2CC[NH+](C)CC2)cc1F ZINC000110977961 186338722 /nfs/dbraw/zinc/33/87/22/186338722.db2.gz HSNFWILHLXKCJY-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000110650503 186311442 /nfs/dbraw/zinc/31/14/42/186311442.db2.gz RIMYVSHBEWKRRH-LBPRGKRZSA-N 2 0 286.379 2.296 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705344 186315054 /nfs/dbraw/zinc/31/50/54/186315054.db2.gz UJLDCNCYDYXQKQ-ZFWWWQNUSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC[N@@H+]1C ZINC000110709885 186315402 /nfs/dbraw/zinc/31/54/02/186315402.db2.gz VITSFRDRRVYOHZ-IRXDYDNUSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716620 186315948 /nfs/dbraw/zinc/31/59/48/186315948.db2.gz GIUHMODRFGMGJH-SJORKVTESA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110716308 186316038 /nfs/dbraw/zinc/31/60/38/186316038.db2.gz KPPMPLTZOGSVQU-HOTGVXAUSA-N 2 0 275.440 2.491 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c(C)s1 ZINC000110711426 186316352 /nfs/dbraw/zinc/31/63/52/186316352.db2.gz SUJWYNGZGAAXHF-AWEZNQCLSA-N 2 0 281.469 2.391 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](CC)C2)cc1 ZINC000110711300 186316539 /nfs/dbraw/zinc/31/65/39/186316539.db2.gz VTWWPEPPQVIBTB-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[N@H+](C)C(C)(C)C2)oc1C ZINC000110755013 186319671 /nfs/dbraw/zinc/31/96/71/186319671.db2.gz WBCUQAWFMAUQDL-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP C[C@H]1CN(Cc2ccoc2C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110752302 186320237 /nfs/dbraw/zinc/32/02/37/186320237.db2.gz OBQZCUORBPJXOX-ZDUSSCGKSA-N 2 0 279.428 2.304 10 0 CEAERP CC[C@@H]1C[N@H+](CCCCC[NH2+]C(C)C)CCN1C ZINC000110753794 186320541 /nfs/dbraw/zinc/32/05/41/186320541.db2.gz XLALXLPHIRJJOE-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747085 186321799 /nfs/dbraw/zinc/32/17/99/186321799.db2.gz FKEVJRBTIPFYLU-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CC[N@@H+]1C ZINC000110760275 186323042 /nfs/dbraw/zinc/32/30/42/186323042.db2.gz HAPVRFKHHTYOAV-CYBMUJFWSA-N 2 0 294.468 2.234 10 0 CEAERP CCC[NH2+]Cc1ccccc1CN(C)CC[NH+](C)C ZINC000111149895 186360700 /nfs/dbraw/zinc/36/07/00/186360700.db2.gz YSTYJVPCBZTCSN-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP Cc1ccc(C)c([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133326 186356405 /nfs/dbraw/zinc/35/64/05/186356405.db2.gz YGVSPYLDBMZYBV-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N(C)CC[NH+](C)C ZINC000111134392 186357332 /nfs/dbraw/zinc/35/73/32/186357332.db2.gz XNVAZCHIEBXKDA-IRXDYDNUSA-N 2 0 275.440 2.145 10 0 CEAERP Cc1cc(C)c([C@H]([NH3+])CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111135861 186357626 /nfs/dbraw/zinc/35/76/26/186357626.db2.gz FRNIIYCEOJKXDL-MRXNPFEDSA-N 2 0 277.456 2.495 10 0 CEAERP CCc1ccc([C@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134373 186357740 /nfs/dbraw/zinc/35/77/40/186357740.db2.gz DZBYADCNJGHOFX-CZUORRHYSA-N 2 0 263.429 2.131 10 0 CEAERP CCC[C@](C)(C[NH2+]C1CC1)CN(C)CCC[NH+](C)C ZINC000111147720 186358976 /nfs/dbraw/zinc/35/89/76/186358976.db2.gz NLUPSLXEKSUKEL-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1cccc(F)c1 ZINC000111147476 186359318 /nfs/dbraw/zinc/35/93/18/186359318.db2.gz GTQWTHCALZZHTF-INIZCTEOSA-N 2 0 281.419 2.360 10 0 CEAERP CC[NH2+]Cc1sc(N(C)CCC[NH+](C)C)nc1CC ZINC000111152007 186359711 /nfs/dbraw/zinc/35/97/11/186359711.db2.gz YKPJRYZNGWMUTN-UHFFFAOYSA-N 2 0 284.473 2.203 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC1CCOCC1 ZINC000111173048 186364916 /nfs/dbraw/zinc/36/49/16/186364916.db2.gz GJLGBSWZMIDGIS-MQVJKMGUSA-N 2 0 266.429 2.408 10 0 CEAERP CC(C)CC[N@H+](CC1(C[NH3+])CCOCC1)C1CC1 ZINC000111317277 186395329 /nfs/dbraw/zinc/39/53/29/186395329.db2.gz WLGMZGFAVGPINO-UHFFFAOYSA-N 2 0 254.418 2.252 10 0 CEAERP C[N@H+](C[C@@H]1CCCO1)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111327170 186398531 /nfs/dbraw/zinc/39/85/31/186398531.db2.gz ZJFLYDUMHDJNRS-RDJZCZTQSA-N 2 0 298.471 2.282 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000111697521 186446283 /nfs/dbraw/zinc/44/62/83/186446283.db2.gz MLYUNKRKXFTUFQ-HNNXBMFYSA-N 2 0 297.487 2.105 10 0 CEAERP CCOCc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132181656 366124068 /nfs/dbraw/zinc/12/40/68/366124068.db2.gz LFZFORDMFDIVHP-CQSZACIVSA-N 2 0 262.397 2.312 10 0 CEAERP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000336396492 213254590 /nfs/dbraw/zinc/25/45/90/213254590.db2.gz TUCUGTWYKNDDCV-GJZGRUSLSA-N 2 0 295.471 2.050 10 0 CEAERP COc1ccc(Br)c([C@H]([NH3+])CCC[NH3+])c1 ZINC000575439449 366288114 /nfs/dbraw/zinc/28/81/14/366288114.db2.gz MCNTZFBGCXWIPS-LLVKDONJSA-N 2 0 273.174 2.196 10 0 CEAERP Cc1[nH]c2ccccc2c1CC[NH+]1CCC([NH3+])CC1 ZINC000031576351 361714605 /nfs/dbraw/zinc/71/46/05/361714605.db2.gz YSQNFSCMLLGMGZ-UHFFFAOYSA-N 2 0 257.381 2.442 10 0 CEAERP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000085638266 363836227 /nfs/dbraw/zinc/83/62/27/363836227.db2.gz NEELHVFIBRPXRD-AJNGGQMLSA-N 2 0 266.429 2.121 10 0 CEAERP CC[NH+](CC)[C@@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074106 364250846 /nfs/dbraw/zinc/25/08/46/364250846.db2.gz WNUPTKPQWWHFRK-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP CCC[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161600652 367099737 /nfs/dbraw/zinc/09/97/37/367099737.db2.gz JHCMKJJQQXVSPY-HRCADAONSA-N 2 0 297.487 2.201 10 0 CEAERP CCC[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161756272 367110661 /nfs/dbraw/zinc/11/06/61/367110661.db2.gz HKTKXAQOZPEDQP-QKPAOTATSA-N 2 0 297.487 2.199 10 0 CEAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631838519 367579013 /nfs/dbraw/zinc/57/90/13/367579013.db2.gz PTIOMTIZLHDJPX-NEPJUHHUSA-N 2 0 295.814 2.195 10 0 CEAERP C[C@@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838443 367579253 /nfs/dbraw/zinc/57/92/53/367579253.db2.gz OGVOTMLYELTKAJ-HIFRSBDPSA-N 2 0 254.418 2.110 10 0 CEAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000181655694 368479470 /nfs/dbraw/zinc/47/94/70/368479470.db2.gz ZRAXFRVIMSXOKE-ARFHVFGLSA-N 2 0 267.461 2.179 10 0 CEAERP COc1cc(C)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000634998243 369030193 /nfs/dbraw/zinc/03/01/93/369030193.db2.gz CLXNHPMXIMWRPW-JSGCOSHPSA-N 2 0 278.396 2.039 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC1CC[NH2+]CC1 ZINC000635003351 369038144 /nfs/dbraw/zinc/03/81/44/369038144.db2.gz IJAKCTHPBJELOF-RDJZCZTQSA-N 2 0 287.451 2.096 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000234750495 370541338 /nfs/dbraw/zinc/54/13/38/370541338.db2.gz BQJISDNNIPVCLM-ZYHUDNBSSA-N 2 0 272.339 2.369 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]12 ZINC000261586089 371664967 /nfs/dbraw/zinc/66/49/67/371664967.db2.gz ITGDTTJRZSSGRW-YRGRVCCFSA-N 2 0 280.799 2.388 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]12 ZINC000261586086 371665198 /nfs/dbraw/zinc/66/51/98/371665198.db2.gz ITGDTTJRZSSGRW-MBNYWOFBSA-N 2 0 280.799 2.388 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1ccccc1 ZINC000261609372 371678050 /nfs/dbraw/zinc/67/80/50/371678050.db2.gz BQBBAYSRNPEXOF-WBVHZDCISA-N 2 0 267.376 2.256 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721542 371710396 /nfs/dbraw/zinc/71/03/96/371710396.db2.gz KFYMQUMKPGFUSL-NUEKZKHPSA-N 2 0 267.376 2.404 10 0 CEAERP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH2+]C1 ZINC000261793867 371733900 /nfs/dbraw/zinc/73/39/00/371733900.db2.gz OSEUCLYXSCCCQX-WZYMTQMTSA-N 2 0 288.439 2.130 10 0 CEAERP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000640015878 371736748 /nfs/dbraw/zinc/73/67/48/371736748.db2.gz OKWQLEGVYHQVOW-LSDHHAIUSA-N 2 0 268.445 2.344 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2C[C@@H]2CCC[NH2+]C2)C1 ZINC000261947698 371781057 /nfs/dbraw/zinc/78/10/57/371781057.db2.gz NMNJBSYIEAIIOX-NRKLIOEPSA-N 2 0 280.456 2.248 10 0 CEAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643457929 373128087 /nfs/dbraw/zinc/12/80/87/373128087.db2.gz AZQZZHZBVGXMCG-XIRDDKMYSA-N 2 0 275.440 2.267 10 0 CEAERP CC(C)OC1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000643475794 373144487 /nfs/dbraw/zinc/14/44/87/373144487.db2.gz LZOJHNDANYGMNV-DNDYEEKYSA-N 2 0 254.418 2.310 10 0 CEAERP C[N@H+](Cc1ccccc1)[C@H](CNC1CC[NH2+]CC1)C1CC1 ZINC000423066131 376957012 /nfs/dbraw/zinc/95/70/12/376957012.db2.gz WBQBSRHRYPUIFB-GOSISDBHSA-N 2 0 287.451 2.239 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085217190 184605305 /nfs/dbraw/zinc/60/53/05/184605305.db2.gz HVWXYGQIXAUDQG-LZWOXQAQSA-N 2 0 268.445 2.248 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092670854 184619467 /nfs/dbraw/zinc/61/94/67/184619467.db2.gz POEYFTHAZYXKKZ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCOCC1 ZINC000335268681 208066299 /nfs/dbraw/zinc/06/62/99/208066299.db2.gz GGXHHYKVCUQMHP-GASCZTMLSA-N 2 0 266.429 2.125 10 0 CEAERP CC[NH2+]Cc1ccc(OCC[N@@H+]2CC[C@@H](COC)C2)cc1 ZINC000081118700 177774881 /nfs/dbraw/zinc/77/48/81/177774881.db2.gz MXQSEQGSXAZANK-MRXNPFEDSA-N 2 0 292.423 2.143 10 0 CEAERP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](C)CC(C)C ZINC000093616605 184695974 /nfs/dbraw/zinc/69/59/74/184695974.db2.gz KLIYYSGMIAKJKC-JKSUJKDBSA-N 2 0 270.461 2.495 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC000093616065 184696183 /nfs/dbraw/zinc/69/61/83/184696183.db2.gz VEUQHUIUMOJVPM-HZPDHXFCSA-N 2 0 268.445 2.249 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC000093730584 184709833 /nfs/dbraw/zinc/70/98/33/184709833.db2.gz AIAIHUODRZOQNV-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH2+][C@@]1(CO)CCC[C@H]([NH+]2CCCCC2)C1 ZINC000093781438 184720667 /nfs/dbraw/zinc/72/06/67/184720667.db2.gz BXNUXNXHXVMPJD-GJZGRUSLSA-N 2 0 254.418 2.144 10 0 CEAERP C[C@@H]1CCC[C@](C[NH2+]CC2CC[NH2+]CC2)(N(C)C)C1 ZINC000094010345 184749903 /nfs/dbraw/zinc/74/99/03/184749903.db2.gz ABCJYFAWSLBLPF-ZBFHGGJFSA-N 2 0 267.461 2.086 10 0 CEAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070371 184753318 /nfs/dbraw/zinc/75/33/18/184753318.db2.gz HNILQUNDWOCTCH-DZGCQCFKSA-N 2 0 254.418 2.395 10 0 CEAERP COCC1CC[NH+](C[C@@H]2CCCC(C)(C)[C@@H]2[NH3+])CC1 ZINC000094288692 184775740 /nfs/dbraw/zinc/77/57/40/184775740.db2.gz SZWKKZVOVIBRFC-LSDHHAIUSA-N 2 0 268.445 2.498 10 0 CEAERP [NH3+]CCCOC1CC[NH+]([C@H]2CCOC3(CCCC3)C2)CC1 ZINC000094384848 184791922 /nfs/dbraw/zinc/79/19/22/184791922.db2.gz GKAFHUIGADVGCC-HNNXBMFYSA-N 2 0 296.455 2.308 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCOC3(CCCC3)C2)C1 ZINC000094383802 184792469 /nfs/dbraw/zinc/79/24/69/184792469.db2.gz PUQOUUFBPKDDHE-HUUCEWRRSA-N 2 0 266.429 2.410 10 0 CEAERP CCCC1(C[N@@H+]2C[C@@H]3CCCN3C[C@@H]2C)CC[NH2+]CC1 ZINC000094462048 184805311 /nfs/dbraw/zinc/80/53/11/184805311.db2.gz WQNIKPPZNINWKZ-HOTGVXAUSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000094752571 184853102 /nfs/dbraw/zinc/85/31/02/184853102.db2.gz ILALGFACKDUJOT-PMPSAXMXSA-N 2 0 295.471 2.131 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2OC[C@H]1SCC[NH+](C)C ZINC000095021905 184917690 /nfs/dbraw/zinc/91/76/90/184917690.db2.gz XNNGRSSQGMQHCY-ZIAGYGMSSA-N 2 0 266.410 2.003 10 0 CEAERP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400545967 533458873 /nfs/dbraw/zinc/45/88/73/533458873.db2.gz WBFTUECCYXFGCW-OCCSQVGLSA-N 2 0 255.365 2.322 10 0 CEAERP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000400718508 533560662 /nfs/dbraw/zinc/56/06/62/533560662.db2.gz NWABMOPULYJADO-KGLIPLIRSA-N 2 0 277.412 2.037 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H](C[NH3+])C(C)C)CC2)c1 ZINC000087535244 135050269 /nfs/dbraw/zinc/05/02/69/135050269.db2.gz YNFVAGFRMDUBIK-INIZCTEOSA-N 2 0 275.440 2.348 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091430235 135069957 /nfs/dbraw/zinc/06/99/57/135069957.db2.gz GZGZWLAYXUNLHG-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP C[C@H]([C@@H](C)C[NH3+])[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000093068724 135079118 /nfs/dbraw/zinc/07/91/18/135079118.db2.gz CYYJBZRTYGTBAZ-QWHCGFSZSA-N 2 0 281.831 2.445 10 0 CEAERP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000093463210 135080839 /nfs/dbraw/zinc/08/08/39/135080839.db2.gz IBJAQKHMIZMEPH-ZBFHGGJFSA-N 2 0 288.439 2.171 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422816272 394807822 /nfs/dbraw/zinc/80/78/22/394807822.db2.gz DWUYUBZBMYJNRZ-INTQDDNPSA-N 2 0 250.308 2.305 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000396621720 395218096 /nfs/dbraw/zinc/21/80/96/395218096.db2.gz VCXRSPMVTRCEPQ-LMSBXDPUSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000575372940 395661230 /nfs/dbraw/zinc/66/12/30/395661230.db2.gz JSZSJVZGSFKTNQ-JSGCOSHPSA-N 2 0 250.361 2.346 10 0 CEAERP C[NH+](C)[C@H](CC[NH3+])COc1cccc2c1CCCC2 ZINC000020401611 171181308 /nfs/dbraw/zinc/18/13/08/171181308.db2.gz IQNFFIMYJHORQL-CQSZACIVSA-N 2 0 262.397 2.223 10 0 CEAERP Cc1cc(OC[C@@H](CC[NH3+])[NH+](C)C)ccc1Cl ZINC000020401675 171182296 /nfs/dbraw/zinc/18/22/96/171182296.db2.gz ZRXMIRPHLWOJDC-LLVKDONJSA-N 2 0 256.777 2.306 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N1CC[NH+](CCC)CC1 ZINC000020520613 171234203 /nfs/dbraw/zinc/23/42/03/171234203.db2.gz INHITHLQUYIWGD-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[NH+](CCC)CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022151760 171358972 /nfs/dbraw/zinc/35/89/72/171358972.db2.gz OAYYMDNNBCUHQD-UHFFFAOYSA-N 2 0 263.385 2.206 10 0 CEAERP CCOc1ccccc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022213084 171374453 /nfs/dbraw/zinc/37/44/53/171374453.db2.gz GTFKNARQJXQJER-MRXNPFEDSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000035176691 172029743 /nfs/dbraw/zinc/02/97/43/172029743.db2.gz KWEFQDBDZGVJNC-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000035717181 172371014 /nfs/dbraw/zinc/37/10/14/172371014.db2.gz QCZSNZMXRLSFBE-UHFFFAOYSA-N 2 0 281.469 2.382 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccccn1 ZINC000037491934 173233104 /nfs/dbraw/zinc/23/31/04/173233104.db2.gz TYGSOUYEPZSKSX-OAHLLOKOSA-N 2 0 261.413 2.478 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](CC)CC2)C1 ZINC000040502626 174298622 /nfs/dbraw/zinc/29/86/22/174298622.db2.gz BXBIIJNMQPNCCI-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]1CCC[C@](CNC(=O)C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040670598 174368700 /nfs/dbraw/zinc/36/87/00/174368700.db2.gz USPDDRCIHJNGMH-YOEHRIQHSA-N 2 0 295.471 2.145 10 0 CEAERP [NH3+]CC[C@@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000040693685 174377721 /nfs/dbraw/zinc/37/77/21/174377721.db2.gz OSWRRAQGMWEFQH-CYBMUJFWSA-N 2 0 293.377 2.216 10 0 CEAERP CSCC[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693733 174377756 /nfs/dbraw/zinc/37/77/56/174377756.db2.gz GAVFSOANENZEJC-HNNXBMFYSA-N 2 0 285.501 2.017 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccccc2C1 ZINC000040749431 174393742 /nfs/dbraw/zinc/39/37/42/174393742.db2.gz KXWSITSVVMEZHL-IFFAKLHKSA-N 2 0 256.393 2.498 10 0 CEAERP COc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC([NH+](C)C)CC2)c1 ZINC000043027004 174946776 /nfs/dbraw/zinc/94/67/76/174946776.db2.gz SKGNWYSFVVDVAO-CXAGYDPISA-N 2 0 291.439 2.110 10 0 CEAERP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000043324918 175007046 /nfs/dbraw/zinc/00/70/46/175007046.db2.gz OIDVDUPVWWVPLT-QGZVFWFLSA-N 2 0 275.440 2.370 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC[NH+](C)C)CC(C)C ZINC000043341171 175015272 /nfs/dbraw/zinc/01/52/72/175015272.db2.gz CUBRQQIRYIOYPJ-WBVHZDCISA-N 2 0 292.471 2.380 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CC[NH+](C)C)CC(C)C ZINC000043348615 175018904 /nfs/dbraw/zinc/01/89/04/175018904.db2.gz JKIAMMUQVODGAQ-IAGOWNOFSA-N 2 0 292.471 2.380 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](CC2CC2)CC1 ZINC000043364844 175025708 /nfs/dbraw/zinc/02/57/08/175025708.db2.gz JIYCWECETZMUAW-DOTOQJQBSA-N 2 0 291.439 2.394 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810751 175110212 /nfs/dbraw/zinc/11/02/12/175110212.db2.gz PLUUVZFLUJNTMD-PMPSAXMXSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000043815409 175112464 /nfs/dbraw/zinc/11/24/64/175112464.db2.gz VVVFOXRPLLJDDG-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1C ZINC000043818151 175113449 /nfs/dbraw/zinc/11/34/49/175113449.db2.gz JSSJPJRATWLNSL-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896906 175119880 /nfs/dbraw/zinc/11/98/80/175119880.db2.gz WGXHTUBNZKYTRK-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000043897041 175120087 /nfs/dbraw/zinc/12/00/87/175120087.db2.gz GZDZEJFDFZBRLB-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967531 175128697 /nfs/dbraw/zinc/12/86/97/175128697.db2.gz HSRCRXNYBMRTLS-CVEARBPZSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968018 175128881 /nfs/dbraw/zinc/12/88/81/175128881.db2.gz XSOFNQGZLBOTCR-IAGOWNOFSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967759 175129033 /nfs/dbraw/zinc/12/90/33/175129033.db2.gz NDNJWVGSDBBAJF-OIISXLGYSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968015 175129361 /nfs/dbraw/zinc/12/93/61/175129361.db2.gz XSOFNQGZLBOTCR-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH+]1CCC(NC(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044763812 175247800 /nfs/dbraw/zinc/24/78/00/175247800.db2.gz GTGHLQONPOIUII-UHFFFAOYSA-N 2 0 295.471 2.276 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045113965 175310951 /nfs/dbraw/zinc/31/09/51/175310951.db2.gz ZCNZUEPZAZFVEP-NWDGAFQWSA-N 2 0 278.400 2.039 10 0 CEAERP CC[C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136745 175314188 /nfs/dbraw/zinc/31/41/88/175314188.db2.gz AYCLZLAIYRHBED-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](CCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379177 175368510 /nfs/dbraw/zinc/36/85/10/175368510.db2.gz IJQYQTMOLLSXDM-INIZCTEOSA-N 2 0 281.444 2.027 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CCC)C1CC1)C(N)=O ZINC000045387470 175372762 /nfs/dbraw/zinc/37/27/62/175372762.db2.gz AJPLCGPGLJUPAW-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[C@H]1C[C@H]([NH+]2CCC(CC[NH3+])CC2)CCO1 ZINC000070368547 175898062 /nfs/dbraw/zinc/89/80/62/175898062.db2.gz ZNJDYFATAIQFSL-CABCVRRESA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H](C)C[C@H](CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148934 176044561 /nfs/dbraw/zinc/04/45/61/176044561.db2.gz YCRUNDUMMIARFS-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187962 176061281 /nfs/dbraw/zinc/06/12/81/176061281.db2.gz DBMRNSSNONXJMR-MGPQQGTHSA-N 2 0 281.469 2.328 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](N(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071187977 176062045 /nfs/dbraw/zinc/06/20/45/176062045.db2.gz AQSSEPRIXDAHRB-MGPQQGTHSA-N 2 0 255.450 2.022 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188140 176062856 /nfs/dbraw/zinc/06/28/56/176062856.db2.gz XHYWZQVXYGIQAM-IJEWVQPXSA-N 2 0 279.428 2.250 10 0 CEAERP C[N@H+](C[C@H]1CC[NH+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000071190661 176067655 /nfs/dbraw/zinc/06/76/55/176067655.db2.gz YIUMTOGMBGPMHH-QGTPRVQTSA-N 2 0 288.435 2.308 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191417 176069363 /nfs/dbraw/zinc/06/93/63/176069363.db2.gz LDCQJEACHZGACX-NUJGCVRESA-N 2 0 289.467 2.467 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000071191722 176072293 /nfs/dbraw/zinc/07/22/93/176072293.db2.gz KXKUGVWRVMQNPF-OAHLLOKOSA-N 2 0 290.455 2.358 10 0 CEAERP CN(CC[NH2+]C1CCCCCC1)C[C@H]1CC[N@H+](C)C1 ZINC000071192276 176073373 /nfs/dbraw/zinc/07/33/73/176073373.db2.gz LAXJQYIYPUVUOT-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198128 176077089 /nfs/dbraw/zinc/07/70/89/176077089.db2.gz ZRXPCOABPWUFLG-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP NC(=[NH2+])c1cc(F)ccc1C[N@@H+]1CCCSCC1 ZINC000071267775 176100852 /nfs/dbraw/zinc/10/08/52/176100852.db2.gz DSCBZTPMDJFMEN-UHFFFAOYSA-N 2 0 267.373 2.049 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071269056 176102763 /nfs/dbraw/zinc/10/27/63/176102763.db2.gz USVHJYDSJBBNMA-CYBMUJFWSA-N 2 0 259.328 2.203 10 0 CEAERP [NH3+][C@@H]1CCC[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071613653 176233349 /nfs/dbraw/zinc/23/33/49/176233349.db2.gz OLPLSJBZHSPNJI-SJORKVTESA-N 2 0 273.424 2.074 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079078398 177429251 /nfs/dbraw/zinc/42/92/51/177429251.db2.gz SVMPXJFKAPZRIZ-HUUCEWRRSA-N 2 0 285.476 2.378 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000079208352 177446647 /nfs/dbraw/zinc/44/66/47/177446647.db2.gz JFVTYCSBXWJPKU-CABCVRRESA-N 2 0 283.460 2.132 10 0 CEAERP CC[C@H](CC[NH3+])CCCN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000079214267 177448846 /nfs/dbraw/zinc/44/88/46/177448846.db2.gz WUNXBTCPPGFWSL-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCCC1 ZINC000079254828 177459373 /nfs/dbraw/zinc/45/93/73/177459373.db2.gz PRWVKNFFCIVVIQ-MRXNPFEDSA-N 2 0 297.487 2.380 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC[NH+](CCOC)CCOC ZINC000079256785 177459823 /nfs/dbraw/zinc/45/98/23/177459823.db2.gz YAYUJLDKZZKZKB-OAHLLOKOSA-N 2 0 274.449 2.127 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000079623680 177528230 /nfs/dbraw/zinc/52/82/30/177528230.db2.gz BVEAYMKMCVYXLB-HZPDHXFCSA-N 2 0 279.472 2.181 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000079672750 177534313 /nfs/dbraw/zinc/53/43/13/177534313.db2.gz MCEGLCLXKLPSAN-PMPSAXMXSA-N 2 0 281.488 2.427 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666743894 419412947 /nfs/dbraw/zinc/41/29/47/419412947.db2.gz LRQQTASULZFOGG-DOMZBBRYSA-N 2 0 255.365 2.452 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CC(C)(C)C1 ZINC000228723026 262340618 /nfs/dbraw/zinc/34/06/18/262340618.db2.gz MJCOYVYJNOHFPR-VNHYZAJKSA-N 2 0 256.434 2.103 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261813004 279299258 /nfs/dbraw/zinc/29/92/58/279299258.db2.gz ZWPBYVSNTKWFAS-CVEARBPZSA-N 2 0 295.471 2.227 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc2c(c1)OCCO2 ZINC000089149022 290009977 /nfs/dbraw/zinc/00/99/77/290009977.db2.gz HTWGSHWRVNZUMN-IACUBPJLSA-N 2 0 276.380 2.236 10 0 CEAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2CO)c2ccccc21 ZINC000261566262 295325592 /nfs/dbraw/zinc/32/55/92/295325592.db2.gz GJPGYBWNSOOJIU-MWNCTCPHSA-N 2 0 260.381 2.272 10 0 CEAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000576268519 314257877 /nfs/dbraw/zinc/25/78/77/314257877.db2.gz CKDOCIHRWFGVOE-ZVDSWSACSA-N 2 0 278.440 2.312 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211869254 327162871 /nfs/dbraw/zinc/16/28/71/327162871.db2.gz LOWGFGQQCHRUFT-RDTXWAMCSA-N 2 0 285.435 2.001 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654639 519721303 /nfs/dbraw/zinc/72/13/03/519721303.db2.gz CHYHGOCXSKDGKO-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH+]1CCN(c2nc(CC)c(C[NH2+]CC)s2)CC1 ZINC000054968982 519860723 /nfs/dbraw/zinc/86/07/23/519860723.db2.gz WRFHQTHRSVYMKJ-UHFFFAOYSA-N 2 0 296.484 2.347 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)CC(C)C)CCOCC1 ZINC000052181362 519909435 /nfs/dbraw/zinc/90/94/35/519909435.db2.gz REFUKZCAEVNSSR-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH2+]CC1(C[NH+]2CCC(C)CC2)CCOCC1 ZINC000052180628 519913097 /nfs/dbraw/zinc/91/30/97/519913097.db2.gz VELYPQAPWUMAOO-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074697 519920608 /nfs/dbraw/zinc/92/06/08/519920608.db2.gz KYFYZGTWASWYBQ-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CC)O1 ZINC000052375335 519926575 /nfs/dbraw/zinc/92/65/75/519926575.db2.gz GXJSFYMCAIORJI-SOUVJXGZSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074816 519931506 /nfs/dbraw/zinc/93/15/06/519931506.db2.gz ORGUSVYNTSNMCA-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1cccc(OCC[N@H+](C)CCOC)c1 ZINC000052572852 519953472 /nfs/dbraw/zinc/95/34/72/519953472.db2.gz PWJONKLMUKTSIN-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C ZINC000054998285 519975173 /nfs/dbraw/zinc/97/51/73/519975173.db2.gz ONVPLPZNSQWLFJ-CYBMUJFWSA-N 2 0 296.484 2.482 10 0 CEAERP CC[N@H+](CCOC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052542804 521135247 /nfs/dbraw/zinc/13/52/47/521135247.db2.gz CELKDLABCDMMCS-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482114 522095620 /nfs/dbraw/zinc/09/56/20/522095620.db2.gz SAHHBMMCNGEABS-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+][C@H](C)c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907424 522454606 /nfs/dbraw/zinc/45/46/06/522454606.db2.gz RATBCIKRQDAJST-LLVKDONJSA-N 2 0 282.457 2.202 10 0 CEAERP C[NH2+][C@H](CCN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061653624 522458055 /nfs/dbraw/zinc/45/80/55/522458055.db2.gz BTYOWALJDMKJET-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)[C@H](C)C[NH2+]C2CC2)CC1 ZINC000093070177 517420383 /nfs/dbraw/zinc/42/03/83/517420383.db2.gz RUEKBKSYOYDEHS-HUUCEWRRSA-N 2 0 267.461 2.037 10 0 CEAERP C([NH2+]C1CC1)[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382063 518399150 /nfs/dbraw/zinc/39/91/50/518399150.db2.gz QVRPZSMXWMJJKP-LSDHHAIUSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052373630 518606987 /nfs/dbraw/zinc/60/69/87/518606987.db2.gz PBUDMUPTVJUQAJ-ZIAGYGMSSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421307 518760297 /nfs/dbraw/zinc/76/02/97/518760297.db2.gz LSQWGOFZCQLWAY-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078311 519694812 /nfs/dbraw/zinc/69/48/12/519694812.db2.gz NDOLNYWAJMDUTO-MRXNPFEDSA-N 2 0 269.477 2.414 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182389 519719645 /nfs/dbraw/zinc/71/96/45/519719645.db2.gz CQWLXSYLBKZCFX-MRXNPFEDSA-N 2 0 298.471 2.282 10 0 CEAERP CC(C)[NH2+]CCCCC[NH+]1CCN(c2nccs2)CC1 ZINC000052417700 519720680 /nfs/dbraw/zinc/72/06/80/519720680.db2.gz NUJMRTTYUFYTGH-UHFFFAOYSA-N 2 0 296.484 2.433 10 0 CEAERP CC(C)C[NH+]1CCC([NH2+]CC2CCOCC2)CC1 ZINC000228028651 519720801 /nfs/dbraw/zinc/72/08/01/519720801.db2.gz DSZXIVNOXQHCPW-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702273 519721928 /nfs/dbraw/zinc/72/19/28/519721928.db2.gz KJJZXQXUSJSVGC-INIZCTEOSA-N 2 0 262.397 2.276 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481018 519723549 /nfs/dbraw/zinc/72/35/49/519723549.db2.gz OBDYMDRDNCKDIG-HOTGVXAUSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000055079659 519728620 /nfs/dbraw/zinc/72/86/20/519728620.db2.gz FJMFHECGVWWGQW-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP CC(C)[NH2+]Cc1nc(CN2CCC[C@@H]2C[NH+](C)C)cs1 ZINC000061654729 519728937 /nfs/dbraw/zinc/72/89/37/519728937.db2.gz CFIITYAYAZZDGN-CQSZACIVSA-N 2 0 296.484 2.167 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481026 519745287 /nfs/dbraw/zinc/74/52/87/519745287.db2.gz VBPCZYJLOBJEOH-DLBZAZTESA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1COCC[NH+](C)C ZINC000052669544 519748137 /nfs/dbraw/zinc/74/81/37/519748137.db2.gz SNQWUKGYAORTFM-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N1CCC[C@H]1C[NH+](C)C ZINC000061654209 519748163 /nfs/dbraw/zinc/74/81/63/519748163.db2.gz YGKODFFCJCNXJO-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000049555222 519847021 /nfs/dbraw/zinc/84/70/21/519847021.db2.gz MJKOMNVRAPABEG-HUUCEWRRSA-N 2 0 254.418 2.144 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2O)CC1 ZINC000049555221 519847553 /nfs/dbraw/zinc/84/75/53/519847553.db2.gz MJKOMNVRAPABEG-GJZGRUSLSA-N 2 0 254.418 2.144 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCC(=O)OCC)CC1 ZINC000045687143 519847763 /nfs/dbraw/zinc/84/77/63/519847763.db2.gz CQMFQIFCLITGAW-CYBMUJFWSA-N 2 0 270.417 2.040 10 0 CEAERP CCC[NH+]1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000052421725 519857282 /nfs/dbraw/zinc/85/72/82/519857282.db2.gz VWDUZFBNIPEOAY-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052347075 519859108 /nfs/dbraw/zinc/85/91/08/519859108.db2.gz RNLOLMBJSUONPU-JKSUJKDBSA-N 2 0 266.429 2.408 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061644064 519885077 /nfs/dbraw/zinc/88/50/77/519885077.db2.gz RRTZHTGYPCPJMQ-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH+](C)C ZINC000054628727 519908036 /nfs/dbraw/zinc/90/80/36/519908036.db2.gz KSQPXZBRSWXLRE-GOOCMWNKSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[NH2+]CC(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000063053581 519908733 /nfs/dbraw/zinc/90/87/33/519908733.db2.gz BKIBIUYMTSXLNY-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCCSCC2)CCOCC1 ZINC000052197947 519909598 /nfs/dbraw/zinc/90/95/98/519909598.db2.gz ILCJWGWFFPAVPL-UHFFFAOYSA-N 2 0 286.485 2.222 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC000054601976 519910139 /nfs/dbraw/zinc/91/01/39/519910139.db2.gz MHEDIWXKQPHLMO-VHRNVKJDSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183179 519910244 /nfs/dbraw/zinc/91/02/44/519910244.db2.gz OYRRGDSJUZVRTL-UHFFFAOYSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]CC(C)(C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072116 519911901 /nfs/dbraw/zinc/91/19/01/519911901.db2.gz RSVBYKWYSKKPDW-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061298352 519916452 /nfs/dbraw/zinc/91/64/52/519916452.db2.gz XHGKKVPVYGDSBJ-UHFFFAOYSA-N 2 0 295.471 2.291 10 0 CEAERP CC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000052417260 519918973 /nfs/dbraw/zinc/91/89/73/519918973.db2.gz IWWRAYGCUZLTGR-UHFFFAOYSA-N 2 0 261.413 2.198 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653494 519928943 /nfs/dbraw/zinc/92/89/43/519928943.db2.gz PEJPMIAUKJPMMK-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]C[C@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573478 519932165 /nfs/dbraw/zinc/93/21/65/519932165.db2.gz VVXYKARUQWLNDP-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483151 519936240 /nfs/dbraw/zinc/93/62/40/519936240.db2.gz ZIMLLTGVLDHPGN-SJORKVTESA-N 2 0 291.439 2.103 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346224 519951797 /nfs/dbraw/zinc/95/17/97/519951797.db2.gz QKCBNIMMOBVLSW-HOTGVXAUSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416590 519955680 /nfs/dbraw/zinc/95/56/80/519955680.db2.gz WQULCUMJCYVVCC-UONOGXRCSA-N 2 0 280.437 2.263 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)Cc2ccco2)O1 ZINC000052570649 519977813 /nfs/dbraw/zinc/97/78/13/519977813.db2.gz SNIVAXWURFTGQU-HIFRSBDPSA-N 2 0 266.385 2.259 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CC[NH+](CC(C)C)CC1 ZINC000055081738 519981493 /nfs/dbraw/zinc/98/14/93/519981493.db2.gz MDPZVLCNHNGQTO-INIZCTEOSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000052477764 519996011 /nfs/dbraw/zinc/99/60/11/519996011.db2.gz PMVACKCFRZYLOD-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@H](C)COC ZINC000052511945 520006971 /nfs/dbraw/zinc/00/69/71/520006971.db2.gz OHSMZZCDSYCNSJ-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]Cc1ccoc1CN(C)C1CC[NH+](CC)CC1 ZINC000052543986 520010657 /nfs/dbraw/zinc/01/06/57/520010657.db2.gz AKOBKAWVZAGBBH-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079159 520116951 /nfs/dbraw/zinc/11/69/51/520116951.db2.gz QKGLPAWZFDHCMJ-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970591 520117330 /nfs/dbraw/zinc/11/73/30/520117330.db2.gz MUMWCFNLBGWVHR-YESZJQIVSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979246 520123234 /nfs/dbraw/zinc/12/32/34/520123234.db2.gz UTXDBJLNJLYVDX-NXOAAHMSSA-N 2 0 279.472 2.323 10 0 CEAERP CCCCC[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075086 520225082 /nfs/dbraw/zinc/22/50/82/520225082.db2.gz HEAQIYWGWBMTKY-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C[NH2+]C)c(C)o2)C1 ZINC000052372147 520320011 /nfs/dbraw/zinc/32/00/11/520320011.db2.gz PCSSBTHPJPZNHU-CQSZACIVSA-N 2 0 266.385 2.308 10 0 CEAERP CCCOc1cccc([C@@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062964543 520464922 /nfs/dbraw/zinc/46/49/22/520464922.db2.gz KVSJNWQBTUHRHI-DOTOQJQBSA-N 2 0 291.439 2.111 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372122 520526218 /nfs/dbraw/zinc/52/62/18/520526218.db2.gz CBRPKGWGTHQZRF-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075273 520691854 /nfs/dbraw/zinc/69/18/54/520691854.db2.gz LOKFHOISOTZNRC-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)C(C)(C)[NH2+]C ZINC000061316419 520760733 /nfs/dbraw/zinc/76/07/33/520760733.db2.gz YLDLHNIRJKAVJW-UHFFFAOYSA-N 2 0 277.412 2.465 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055079239 520768255 /nfs/dbraw/zinc/76/82/55/520768255.db2.gz RPRGYKYSRRONJE-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CCCC[C@@H](C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060667 521044925 /nfs/dbraw/zinc/04/49/25/521044925.db2.gz SRARNTVZZAMWEW-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])[C@@H](C)CC)[NH+]1CCCC1 ZINC000164393881 521616931 /nfs/dbraw/zinc/61/69/31/521616931.db2.gz CBYSMGVQBQVWTC-CWRNSKLLSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[N@H+](CC1CC1)CC1(C[NH2+]C)CCOCC1 ZINC000052182674 521624817 /nfs/dbraw/zinc/62/48/17/521624817.db2.gz QAXHVLBVCDJCFF-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CCCN(CC[NH+](C)C)c1ncc(C[NH2+]CC)s1 ZINC000054908131 521658811 /nfs/dbraw/zinc/65/88/11/521658811.db2.gz YNWVWOUYXQYOSU-UHFFFAOYSA-N 2 0 270.446 2.031 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCCC1 ZINC000054602914 521954336 /nfs/dbraw/zinc/95/43/36/521954336.db2.gz UCHFVZOBXFUUPS-XYTVBORESA-N 2 0 279.472 2.466 10 0 CEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)C1 ZINC000068812011 522053816 /nfs/dbraw/zinc/05/38/16/522053816.db2.gz KOMPOVBLIMCEPQ-KGLIPLIRSA-N 2 0 273.380 2.069 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542128 522095402 /nfs/dbraw/zinc/09/54/02/522095402.db2.gz VCCVBOJDPGYLQY-HUUCEWRRSA-N 2 0 280.437 2.480 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)CCc2ccncc2)oc1C ZINC000052483077 522104863 /nfs/dbraw/zinc/10/48/63/522104863.db2.gz BKVVBCACUIICOU-UHFFFAOYSA-N 2 0 273.380 2.377 10 0 CEAERP C[NH2+]Cc1sc(N2CCC[C@H]2C[NH+](C)C)nc1C1CC1 ZINC000069182068 522167641 /nfs/dbraw/zinc/16/76/41/522167641.db2.gz CMEHHSKCJKGDHS-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052511460 522218197 /nfs/dbraw/zinc/21/81/97/522218197.db2.gz UERIWHQLSIPCSE-CYBMUJFWSA-N 2 0 268.401 2.492 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562083 522334895 /nfs/dbraw/zinc/33/48/95/522334895.db2.gz HOBUVBRLOBJDMB-STQMWFEESA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N2CC[NH+](CC3CC3)CC2)nc1C ZINC000054909655 522342897 /nfs/dbraw/zinc/34/28/97/522342897.db2.gz GLEAGANHZPVEKI-NSHDSACASA-N 2 0 294.468 2.264 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1F)N1CC[C@H]([NH+](C)C)C1 ZINC000062964161 522344503 /nfs/dbraw/zinc/34/45/03/522344503.db2.gz JDRHNUFZUBGTOT-RCBQFDQVSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977509 522344691 /nfs/dbraw/zinc/34/46/91/522344691.db2.gz JQPNYAGBUODFPR-OFQRWUPVSA-N 2 0 277.412 2.228 10 0 CEAERP C[NH2+][C@H](CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000053933334 522459941 /nfs/dbraw/zinc/45/99/41/522459941.db2.gz WMCMUQWDWPXQQW-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H]1CCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082082 522490734 /nfs/dbraw/zinc/49/07/34/522490734.db2.gz VLJSJYWLVMIROR-HOTGVXAUSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479997 522548395 /nfs/dbraw/zinc/54/83/95/522548395.db2.gz PDWZNYMFGLROGN-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@H+](CC1CC1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052483694 522630314 /nfs/dbraw/zinc/63/03/14/522630314.db2.gz IZSSRPYOSUWNMF-KBPBESRZSA-N 2 0 254.418 2.264 10 0 CEAERP CN(CCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2)c1ccccc1 ZINC000054627663 522751614 /nfs/dbraw/zinc/75/16/14/522751614.db2.gz KLNCYPSGIMBRAQ-ZXFUBFMLSA-N 2 0 273.424 2.467 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C[NH2+]C ZINC000052571228 523345931 /nfs/dbraw/zinc/34/59/31/523345931.db2.gz USGDTZAJWIPCRS-BBRMVZONSA-N 2 0 262.397 2.405 10 0 CEAERP C[NH+]1CCC(Oc2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794765 523783126 /nfs/dbraw/zinc/78/31/26/523783126.db2.gz FAEAKDSUYSKWEN-UHFFFAOYSA-N 2 0 267.760 2.097 10 0 CEAERP C[NH+]1CCN(Cc2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000052379586 523910749 /nfs/dbraw/zinc/91/07/49/523910749.db2.gz OUBNOCFAEHRCAY-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000055064206 523956805 /nfs/dbraw/zinc/95/68/05/523956805.db2.gz REUZCBZBQAXPHS-AWEZNQCLSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063640 523958524 /nfs/dbraw/zinc/95/85/24/523958524.db2.gz FCWROGPQROWBMC-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074885 523959173 /nfs/dbraw/zinc/95/91/73/523959173.db2.gz NNBQFLGLRLHAPS-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063757 523959205 /nfs/dbraw/zinc/95/92/05/523959205.db2.gz DIHCMEBMRBONJG-UXLLHSPISA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2C[NH2+]C)CC1 ZINC000055068741 523960216 /nfs/dbraw/zinc/96/02/16/523960216.db2.gz LJEYGFBOZSYGLZ-ZDUSSCGKSA-N 2 0 279.403 2.466 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401367 524049990 /nfs/dbraw/zinc/04/99/90/524049990.db2.gz QSEJZANWNHRWBD-UHFFFAOYSA-N 3 0 279.403 2.058 10 0 CEAERP C[C@@H]1CCC[C@@](CO)([NH2+]CCC[NH+]2CCCC2)C1 ZINC000053125384 524341291 /nfs/dbraw/zinc/34/12/91/524341291.db2.gz DECBAASWKVOPQW-HUUCEWRRSA-N 2 0 254.418 2.003 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]CCN2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061655196 524409500 /nfs/dbraw/zinc/40/95/00/524409500.db2.gz ZXKDMKYONVGOPO-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977567 524854076 /nfs/dbraw/zinc/85/40/76/524854076.db2.gz CPDVZUNEMJCXQZ-RRQGHBQHSA-N 2 0 291.414 2.384 10 0 CEAERP C[NH2+][C@H](C)c1cc(F)c(C)cc1N1CC[NH+](C)CC1 ZINC000094765296 536406729 /nfs/dbraw/zinc/40/67/29/536406729.db2.gz LWNDLPMRSZEZQW-GFCCVEGCSA-N 2 0 265.376 2.166 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)c(C)c1 ZINC000061643564 525766838 /nfs/dbraw/zinc/76/68/38/525766838.db2.gz UFBDQWLSHGJOAJ-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642065 525873974 /nfs/dbraw/zinc/87/39/74/525873974.db2.gz AYWHMQSAELQLKO-MGPQQGTHSA-N 2 0 281.469 2.471 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[NH+](CC3CC3)CC2)c(C)c1 ZINC000048993080 525961833 /nfs/dbraw/zinc/96/18/33/525961833.db2.gz JLSFPKRDDHGTTJ-GOSISDBHSA-N 2 0 287.451 2.331 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@H]2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069267297 526506475 /nfs/dbraw/zinc/50/64/75/526506475.db2.gz HVFPGTORISNUGX-NVXWUHKLSA-N 2 0 271.408 2.001 10 0 CEAERP NC(=[NH2+])c1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000050911413 526822193 /nfs/dbraw/zinc/82/21/93/526822193.db2.gz QNYGTXBPUBJUQS-UHFFFAOYSA-N 2 0 251.333 2.486 10 0 CEAERP Cc1nc(N2CC[NH+](CC3CC3)CC2)sc1[C@@H](C)[NH3+] ZINC000054898772 526968521 /nfs/dbraw/zinc/96/85/21/526968521.db2.gz XVADGWMWSJWGOW-SNVBAGLBSA-N 2 0 280.441 2.003 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482322 527239788 /nfs/dbraw/zinc/23/97/88/527239788.db2.gz YJKCOKGPYKLBID-YJNKXOJESA-N 2 0 252.402 2.005 10 0 CEAERP [NH3+]C[C@H]1CC[C@H](C[N@H+](Cc2cccs2)C2CC2)O1 ZINC000052370697 527240830 /nfs/dbraw/zinc/24/08/30/527240830.db2.gz JAANDXSDBRSKFO-CHWSQXEVSA-N 2 0 266.410 2.219 10 0 CEAERP [NH3+]Cc1c2ccccc2oc1C[NH+]1CCSCC1 ZINC000052425650 527243599 /nfs/dbraw/zinc/24/35/99/527243599.db2.gz WIKOGQNVZCFALT-UHFFFAOYSA-N 2 0 262.378 2.440 10 0 CEAERP Nc1c[nH+]ccc1N1CC[NH+](CCc2ccsc2)CC1 ZINC000070241390 527536628 /nfs/dbraw/zinc/53/66/28/527536628.db2.gz LBMPYEPECDSVEQ-UHFFFAOYSA-N 2 0 288.420 2.090 10 0 CEAERP CC(C)[C@@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143761 574510295 /nfs/dbraw/zinc/51/02/95/574510295.db2.gz MQOJBJFFNDGCGV-ZFWWWQNUSA-N 2 0 252.402 2.223 10 0 CEAERP Brc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)s1 ZINC000070600452 623001118 /nfs/dbraw/zinc/00/11/18/623001118.db2.gz PQOQRPOJRWMHPI-QMMMGPOBSA-N 2 0 275.215 2.210 10 0 CEAERP C(C[N@@H+]1CCO[C@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919591 624695413 /nfs/dbraw/zinc/69/54/13/624695413.db2.gz XPPTWZJWKDCAFZ-ZNMIVQPWSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)C[NH+]1CCC2(C[NH2+]C[C@@H]2C(=O)OC(C)(C)C)CC1 ZINC000757183300 631830271 /nfs/dbraw/zinc/83/02/71/631830271.db2.gz AWIFWKUKURQEEF-CQSZACIVSA-N 2 0 296.455 2.286 10 0 CEAERP CCc1nc(CC[NH+](C)C)sc1C[NH2+]C1CC1 ZINC000082425748 178000508 /nfs/dbraw/zinc/00/05/08/178000508.db2.gz SSGLPJKLMZRFER-UHFFFAOYSA-N 2 0 253.415 2.062 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000040803901 362000852 /nfs/dbraw/zinc/00/08/52/362000852.db2.gz VIFJWQDGBBUSDJ-OAHLLOKOSA-N 2 0 295.471 2.419 10 0 CEAERP C[NH+](C)CCC[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC000147639683 344412385 /nfs/dbraw/zinc/41/23/85/344412385.db2.gz JHUPJRIMRHAKSY-UHFFFAOYSA-N 2 0 261.413 2.400 10 0 CEAERP C[N@H+](CCCCCCOC1CC[NH2+]CC1)C1CC1 ZINC000164413050 344472040 /nfs/dbraw/zinc/47/20/40/344472040.db2.gz GACYNNJKVBSTSM-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000306913773 344718890 /nfs/dbraw/zinc/71/88/90/344718890.db2.gz UDYHGFDYKWCZQH-SECBINFHSA-N 2 0 263.566 2.451 10 0 CEAERP C[N@@H+](Cc1ccc(CO)cc1)C[C@H]1CCc2nccn2C1 ZINC000328652641 344758027 /nfs/dbraw/zinc/75/80/27/344758027.db2.gz WOBKIFCJZJIBNZ-MRXNPFEDSA-N 2 0 285.391 2.070 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000584645467 344972543 /nfs/dbraw/zinc/97/25/43/344972543.db2.gz ZNPWFBUZGMDYTB-YOEHRIQHSA-N 2 0 273.424 2.376 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCCC[NH+]1CCCCC1 ZINC000085212818 178976838 /nfs/dbraw/zinc/97/68/38/178976838.db2.gz MJOLPEOUYSYFRW-HNNXBMFYSA-N 2 0 256.434 2.392 10 0 CEAERP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000085360987 179033016 /nfs/dbraw/zinc/03/30/16/179033016.db2.gz YXPICWMXHZBYCF-CVEARBPZSA-N 2 0 287.407 2.348 10 0 CEAERP CCN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403780 179052934 /nfs/dbraw/zinc/05/29/34/179052934.db2.gz NGIAWIMERUGUIH-MRXNPFEDSA-N 2 0 295.471 2.099 10 0 CEAERP Cc1nccn1CC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403843 179053055 /nfs/dbraw/zinc/05/30/55/179053055.db2.gz DJQLGZRAHUUESS-KRWDZBQOSA-N 2 0 290.455 2.436 10 0 CEAERP C[C@@H](C[NH3+])c1ccc(COCC[NH+]2CCCC2)cc1 ZINC000097810423 185670904 /nfs/dbraw/zinc/67/09/04/185670904.db2.gz FZLACHKZOKLCOR-AWEZNQCLSA-N 2 0 262.397 2.361 10 0 CEAERP C[N@@H+]1CCC[C@@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572759 179097290 /nfs/dbraw/zinc/09/72/90/179097290.db2.gz WSSABIXEPCJWHK-CYBMUJFWSA-N 2 0 290.455 2.168 10 0 CEAERP C[C@@H](Cn1c2c(nc1C1CC1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000085573443 179098169 /nfs/dbraw/zinc/09/81/69/179098169.db2.gz RYAFVHXEBFPRLO-ZDUSSCGKSA-N 2 0 288.439 2.281 10 0 CEAERP CC(C)Cc1nc2c(n1C[C@H]1CCCC[N@@H+]1C)CC[NH2+]C2 ZINC000085572820 179098312 /nfs/dbraw/zinc/09/83/12/179098312.db2.gz OUZGNNHYVYMGSR-CQSZACIVSA-N 2 0 290.455 2.212 10 0 CEAERP CCC1(CC)C[N@H+](C[C@H]2CCCCO2)CCC[NH2+]1 ZINC000085617489 179104464 /nfs/dbraw/zinc/10/44/64/179104464.db2.gz AJVKPLMLLZRZLX-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085674283 179111728 /nfs/dbraw/zinc/11/17/28/179111728.db2.gz BHJDVDNRWWZANH-XQLPTFJDSA-N 2 0 266.429 2.121 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173736 179244741 /nfs/dbraw/zinc/24/47/41/179244741.db2.gz SNJHGDNDPGEULX-HRCADAONSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173646 179244928 /nfs/dbraw/zinc/24/49/28/179244928.db2.gz PWPQJRXFINJFFV-HOTGVXAUSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174171 179245469 /nfs/dbraw/zinc/24/54/69/179245469.db2.gz UURGXJOOHOPTBW-BRWVUGGUSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)C[C@@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146753 179239782 /nfs/dbraw/zinc/23/97/82/179239782.db2.gz KFERGGAORIGHHW-MRXNPFEDSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217825 179249593 /nfs/dbraw/zinc/24/95/93/179249593.db2.gz JORVJRSHZZPYHD-RHSMWYFYSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223034 179251077 /nfs/dbraw/zinc/25/10/77/179251077.db2.gz OBNNTZZJWGASKE-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223185 179251979 /nfs/dbraw/zinc/25/19/79/179251979.db2.gz VZGGZBNVCIBAJF-BZUAXINKSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259587 179257765 /nfs/dbraw/zinc/25/77/65/179257765.db2.gz OVCHMINBZTYZQS-DJIMGWMZSA-N 2 0 277.456 2.076 10 0 CEAERP CCC[C@H]1C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261132 179260089 /nfs/dbraw/zinc/26/00/89/179260089.db2.gz YNELUSNYMRYMKN-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H]([C@@H]1CCCO1)[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287099 179264200 /nfs/dbraw/zinc/26/42/00/179264200.db2.gz ADRIXZDXDFEJEZ-VHDGCEQUSA-N 2 0 252.402 2.018 10 0 CEAERP CC[C@H](C)[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287087 179264392 /nfs/dbraw/zinc/26/43/92/179264392.db2.gz GFMRCZKLCPPUPS-XQLPTFJDSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086288661 179264797 /nfs/dbraw/zinc/26/47/97/179264797.db2.gz GRYZHYVUWIYECD-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258989 179257118 /nfs/dbraw/zinc/25/71/18/179257118.db2.gz KIDSLTRTDYUILB-QZTJIDSGSA-N 2 0 293.499 2.427 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255944 179257277 /nfs/dbraw/zinc/25/72/77/179257277.db2.gz IINGHYHBOCIPOV-JYJNAYRXSA-N 2 0 269.477 2.425 10 0 CEAERP C1C[C@@H]2[C@H](N3CCC[NH2+]C4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000086290846 179265829 /nfs/dbraw/zinc/26/58/29/179265829.db2.gz IIEUKYLZKOYUGN-HZPDHXFCSA-N 2 0 277.456 2.221 10 0 CEAERP CCC1(CC)CN([C@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000086292000 179266687 /nfs/dbraw/zinc/26/66/87/179266687.db2.gz NJAGXNRLSRDYGO-HNNXBMFYSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCC[NH2+][C@@H](C(C)(C)C)C1 ZINC000086293294 179266849 /nfs/dbraw/zinc/26/68/49/179266849.db2.gz LLKLQNHNZRXTMU-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CC[C@H](C)[C@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293511 179267421 /nfs/dbraw/zinc/26/74/21/179267421.db2.gz NLBYXSPJTXIWOZ-YJNKXOJESA-N 2 0 254.418 2.264 10 0 CEAERP C[C@@H]1CCC[C@]1(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086677251 179319514 /nfs/dbraw/zinc/31/95/14/179319514.db2.gz MGSMZZWJPMAENC-OWCLPIDISA-N 2 0 265.445 2.064 10 0 CEAERP CCCC1CCN([C@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819542 179348781 /nfs/dbraw/zinc/34/87/81/179348781.db2.gz QLLBTBXCGPOZEI-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817298 179344341 /nfs/dbraw/zinc/34/43/41/179344341.db2.gz IOBOMMMEDQPXNX-QGZVFWFLSA-N 3 0 275.440 2.322 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(OC)c2)CC1 ZINC000086848308 179357172 /nfs/dbraw/zinc/35/71/72/179357172.db2.gz OGBVHIRWCVUGKQ-QGZVFWFLSA-N 2 0 291.439 2.335 10 0 CEAERP CC(C)[C@H](CN[C@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836667 179351145 /nfs/dbraw/zinc/35/11/45/179351145.db2.gz BCPHVCUNPDVSDE-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836698 179351222 /nfs/dbraw/zinc/35/12/22/179351222.db2.gz FTJSWPOLALSNJT-IRXDYDNUSA-N 2 0 298.471 2.425 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842234 179352656 /nfs/dbraw/zinc/35/26/56/179352656.db2.gz HCWRGCGGSKTHSB-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCc3sccc3C2)CC1 ZINC000086846310 179354422 /nfs/dbraw/zinc/35/44/22/179354422.db2.gz IJOZLKAYOUDTHD-MRXNPFEDSA-N 2 0 293.480 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846190 179355051 /nfs/dbraw/zinc/35/50/51/179355051.db2.gz KSTHQYMZOWPVMX-JKSUJKDBSA-N 2 0 267.461 2.454 10 0 CEAERP CCCN(CCC)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846506 179355365 /nfs/dbraw/zinc/35/53/65/179355365.db2.gz MQTCAKMPONWDLG-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000086869867 179363492 /nfs/dbraw/zinc/36/34/92/179363492.db2.gz PXCBDKNIWUOAOG-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000086891420 179366255 /nfs/dbraw/zinc/36/62/55/179366255.db2.gz PPJKADDOCRUZCF-OAGGEKHMSA-N 2 0 267.461 2.168 10 0 CEAERP CC[C@@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917009 179368148 /nfs/dbraw/zinc/36/81/48/179368148.db2.gz GIPZLFBYJCEEBD-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]CC1(O)CCCC1 ZINC000087015894 179380229 /nfs/dbraw/zinc/38/02/29/179380229.db2.gz VNORWGDZWWMWRR-XYPWUTKMSA-N 2 0 280.456 2.390 10 0 CEAERP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000087051306 179389040 /nfs/dbraw/zinc/38/90/40/179389040.db2.gz WAEDKUIGBRJHTO-QKPAOTATSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000400725497 233180625 /nfs/dbraw/zinc/18/06/25/233180625.db2.gz PFYCRVUVWUJGLI-GMXVVIOVSA-N 2 0 262.353 2.064 10 0 CEAERP [NH3+]Cc1nc(C[NH2+][C@H]2C[C@H]2c2ccccc2)cs1 ZINC000090932271 180065872 /nfs/dbraw/zinc/06/58/72/180065872.db2.gz QBNIBDBZUONASP-STQMWFEESA-N 2 0 259.378 2.248 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](Cc2csc(CC[NH3+])n2)C1 ZINC000090957968 180074966 /nfs/dbraw/zinc/07/49/66/180074966.db2.gz QQNVIVMHCDRADV-QWRGUYRKSA-N 2 0 253.415 2.122 10 0 CEAERP CC[C@@H]1CCC[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958053 180075048 /nfs/dbraw/zinc/07/50/48/180075048.db2.gz DPKQGSQEPRBVHO-LLVKDONJSA-N 2 0 253.415 2.266 10 0 CEAERP c1ccc2c(c1)C[C@@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000090976396 180079117 /nfs/dbraw/zinc/07/91/17/180079117.db2.gz SIIOSUBEOMLPPH-UKRRQHHQSA-N 2 0 256.393 2.400 10 0 CEAERP CCCn1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000091012214 180086073 /nfs/dbraw/zinc/08/60/73/180086073.db2.gz PIWCZEXZFOLLLO-OAHLLOKOSA-N 2 0 261.413 2.472 10 0 CEAERP COCC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C(C)C ZINC000091337096 180136528 /nfs/dbraw/zinc/13/65/28/180136528.db2.gz SRNJHZLLACCUNJ-UHFFFAOYSA-N 2 0 274.368 2.127 10 0 CEAERP c1ccc([C@@H]2C[C@@H]2[NH2+]CC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292191 180123440 /nfs/dbraw/zinc/12/34/40/180123440.db2.gz RLBJJGYAMXJXRO-ILXRZTDVSA-N 2 0 262.422 2.227 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC[NH2+]C2CCCCCC2)C1 ZINC000091432667 180153718 /nfs/dbraw/zinc/15/37/18/180153718.db2.gz JBYPMFKKQDCYRT-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP COc1ccc(CC[NH+]2CCC(C[NH3+])(SC)CC2)cc1 ZINC000091473310 180165143 /nfs/dbraw/zinc/16/51/43/180165143.db2.gz ZRDFYCJJOPVGAY-UHFFFAOYSA-N 2 0 294.464 2.394 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490577 180169510 /nfs/dbraw/zinc/16/95/10/180169510.db2.gz KTDKLRVGNSNMMB-HXSCFSKGSA-N 2 0 268.445 2.103 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499033 180173768 /nfs/dbraw/zinc/17/37/68/180173768.db2.gz VHUIQLDBIZAUND-OHYMQKJLSA-N 2 0 282.472 2.494 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394202 180145402 /nfs/dbraw/zinc/14/54/02/180145402.db2.gz UYSXBAGPWGAERZ-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394485 180146689 /nfs/dbraw/zinc/14/66/89/180146689.db2.gz QSPHGTTUXFWSBD-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](CCOC)[C@@H](C)COC ZINC000091404230 180147300 /nfs/dbraw/zinc/14/73/00/180147300.db2.gz CXTTZYPDBGJDKW-LSDHHAIUSA-N 2 0 288.476 2.384 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527932 180179795 /nfs/dbraw/zinc/17/97/95/180179795.db2.gz NEIZRWVATRNGNE-GOEBONIOSA-N 2 0 265.445 2.077 10 0 CEAERP CCC(CC)([C@H]([NH2+]C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000091635072 180211543 /nfs/dbraw/zinc/21/15/43/180211543.db2.gz ZJPDSAWEYIUWRM-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@@H]([C@H]1CCOC1)C1([NH+](C)C)CCCCCC1 ZINC000091654399 180216950 /nfs/dbraw/zinc/21/69/50/180216950.db2.gz AKMYEFSVQUHBLD-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@H+](CCC[NH+]1CCCC1)C1CCC2(CC1)OCCO2 ZINC000091853661 180273428 /nfs/dbraw/zinc/27/34/28/180273428.db2.gz NLIZVEPCQZPJGV-UHFFFAOYSA-N 2 0 282.428 2.090 10 0 CEAERP CC(C)n1cncc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091844502 180269539 /nfs/dbraw/zinc/26/95/39/180269539.db2.gz PBDHXYSESSTHIL-UHFFFAOYSA-N 2 0 250.390 2.166 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccccc2)CC1 ZINC000091870308 180277078 /nfs/dbraw/zinc/27/70/78/180277078.db2.gz RITTUHAWWNMBPP-UHFFFAOYSA-N 2 0 289.423 2.478 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870557 180277231 /nfs/dbraw/zinc/27/72/31/180277231.db2.gz LCNJJBAJHLJORS-HLIUYOAVSA-N 2 0 289.423 2.476 10 0 CEAERP CCCC1CCC(C[NH3+])([C@]2(O)CCC[NH2+]C2)CC1 ZINC000091907818 180284344 /nfs/dbraw/zinc/28/43/44/180284344.db2.gz HLJNYEKHSVZKEI-NRXISQOPSA-N 2 0 254.418 2.036 10 0 CEAERP CCC[NH+]1CCC(O)([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091906365 180284381 /nfs/dbraw/zinc/28/43/81/180284381.db2.gz OFIXCHKMNSHZKY-GJZGRUSLSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@@](O)([C@H]1CCC[NH2+]C1)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091907933 180284418 /nfs/dbraw/zinc/28/44/18/180284418.db2.gz JYCUXHBMUMDTFM-DZGCQCFKSA-N 2 0 268.445 2.282 10 0 CEAERP C[NH2+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(C)ccc1O ZINC000091996173 180302233 /nfs/dbraw/zinc/30/22/33/180302233.db2.gz KKLJZNKLHYICGB-ZDUSSCGKSA-N 2 0 263.385 2.060 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003624 180304387 /nfs/dbraw/zinc/30/43/87/180304387.db2.gz NJCGKJZAFUPRNY-CVEARBPZSA-N 2 0 291.439 2.446 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000092202933 180343473 /nfs/dbraw/zinc/34/34/73/180343473.db2.gz XZMGMELAFRDRNV-GJZGRUSLSA-N 2 0 285.391 2.124 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000107352833 186172488 /nfs/dbraw/zinc/17/24/88/186172488.db2.gz LCZCBQMIIMFCGG-HNNXBMFYSA-N 2 0 283.460 2.051 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000109496056 186256554 /nfs/dbraw/zinc/25/65/54/186256554.db2.gz MQIGBJAMLSZEFX-YPMHNXCESA-N 2 0 268.405 2.041 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000109496311 186256568 /nfs/dbraw/zinc/25/65/68/186256568.db2.gz NAVIUJNMXOSSIJ-TZMCWYRMSA-N 2 0 282.432 2.301 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH3+])cc2F)C1 ZINC000109603709 186267085 /nfs/dbraw/zinc/26/70/85/186267085.db2.gz JWINACLOKWVNFM-AWEZNQCLSA-N 2 0 294.370 2.060 10 0 CEAERP Cc1ccc(C)c(C[NH+]2CCN(C(C)(C)C[NH3+])CC2)c1 ZINC000109464021 186253484 /nfs/dbraw/zinc/25/34/84/186253484.db2.gz ZHYODIOHKHHOEV-UHFFFAOYSA-N 2 0 275.440 2.158 10 0 CEAERP COc1ccc(F)cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110650748 186310625 /nfs/dbraw/zinc/31/06/25/186310625.db2.gz PPLRKOWFCBNHEO-LLVKDONJSA-N 2 0 266.360 2.394 10 0 CEAERP C[C@H]([NH2+]CCCC[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551146 186303549 /nfs/dbraw/zinc/30/35/49/186303549.db2.gz IYZFYEHAFCSLQA-KBPBESRZSA-N 2 0 299.459 2.351 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)OCCCO3)CC1 ZINC000110645358 186309260 /nfs/dbraw/zinc/30/92/60/186309260.db2.gz BOASCTKBUPXWEJ-CYBMUJFWSA-N 2 0 290.407 2.407 10 0 CEAERP C[C@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000110812123 186326054 /nfs/dbraw/zinc/32/60/54/186326054.db2.gz KFJNMGKKYISXGX-AWEZNQCLSA-N 2 0 293.459 2.288 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110841257 186328309 /nfs/dbraw/zinc/32/83/09/186328309.db2.gz ALUQOABDIMBHHD-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704913 186313905 /nfs/dbraw/zinc/31/39/05/186313905.db2.gz WPZXZWVNKPMRGH-GOEBONIOSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705152 186314469 /nfs/dbraw/zinc/31/44/69/186314469.db2.gz XLUBEWODOHONKA-WCQYABFASA-N 2 0 267.442 2.162 10 0 CEAERP COc1cccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704897 186314780 /nfs/dbraw/zinc/31/47/80/186314780.db2.gz FGDSYJHHIIHNFG-BBRMVZONSA-N 2 0 291.439 2.110 10 0 CEAERP COc1cccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704899 186314997 /nfs/dbraw/zinc/31/49/97/186314997.db2.gz FGDSYJHHIIHNFG-CJNGLKHVSA-N 2 0 291.439 2.110 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716901 186315284 /nfs/dbraw/zinc/31/52/84/186315284.db2.gz WWRUKEHXXASRDA-ZNMIVQPWSA-N 2 0 267.461 2.179 10 0 CEAERP CCOc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110712183 186315593 /nfs/dbraw/zinc/31/55/93/186315593.db2.gz QOLBPZZCDPMWCX-MRXNPFEDSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH2+][C@@H](CN1CC[N@H+](C)[C@@H](CC)C1)c1ccccc1 ZINC000110715825 186316449 /nfs/dbraw/zinc/31/64/49/186316449.db2.gz KGGGNXREUQRYTF-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757701 186319742 /nfs/dbraw/zinc/31/97/42/186319742.db2.gz JLXBDPIOPJCJMH-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110751263 186319835 /nfs/dbraw/zinc/31/98/35/186319835.db2.gz AGXFRYSKJVUWOR-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758808 186320046 /nfs/dbraw/zinc/32/00/46/186320046.db2.gz DMEDAUCWFLHDMY-NSHDSACASA-N 2 0 282.457 2.344 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755307 186320130 /nfs/dbraw/zinc/32/01/30/186320130.db2.gz LRWAVEBEYQBXCQ-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]1C[N@H+](CCCCC[NH2+]CC(C)C)CCN1C ZINC000110753814 186320166 /nfs/dbraw/zinc/32/01/66/186320166.db2.gz BVDAWBBBQXMCNK-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758764 186320917 /nfs/dbraw/zinc/32/09/17/186320917.db2.gz UINSBUZQOXAUBZ-UHFFFAOYSA-N 2 0 282.457 2.172 10 0 CEAERP CC[C@@H]1CN(c2ncc(C[NH2+]CC(C)C)s2)CC[N@@H+]1C ZINC000110758636 186321067 /nfs/dbraw/zinc/32/10/67/186321067.db2.gz YICAQHLLRAKOJV-CYBMUJFWSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)CC[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757961 186321776 /nfs/dbraw/zinc/32/17/76/186321776.db2.gz HPPPINOAQXVTNM-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(C)CC[NH+](C)C ZINC000111130191 186356127 /nfs/dbraw/zinc/35/61/27/186356127.db2.gz ZFUBLZJLNGASBA-FZMZJTMJSA-N 2 0 269.820 2.222 10 0 CEAERP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)o1 ZINC000111133924 186356344 /nfs/dbraw/zinc/35/63/44/186356344.db2.gz UULGLRFQEOWTQM-BFHYXJOUSA-N 2 0 279.428 2.286 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CCC[NH+](C)C ZINC000111130929 186356619 /nfs/dbraw/zinc/35/66/19/186356619.db2.gz LDMMCDOUZUIQBV-DLBZAZTESA-N 2 0 293.455 2.357 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)CC[NH+](C)C ZINC000111129694 186356811 /nfs/dbraw/zinc/35/68/11/186356811.db2.gz IGXCMAVIJRQSCT-GJZGRUSLSA-N 2 0 267.392 2.098 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N(C)CC[NH+](C)C ZINC000111135508 186356983 /nfs/dbraw/zinc/35/69/83/186356983.db2.gz ALEFNYWLQSJRSB-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)CCC[NH+](C)C ZINC000111136213 186357344 /nfs/dbraw/zinc/35/73/44/186357344.db2.gz OGFUVNHSHWSLBP-SJORKVTESA-N 2 0 275.440 2.145 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN(C)CC[NH+](C)C ZINC000111146869 186358742 /nfs/dbraw/zinc/35/87/42/186358742.db2.gz VRWZNENSICAGOV-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146628 186358908 /nfs/dbraw/zinc/35/89/08/186358908.db2.gz KVABMGUCRDMASC-KRWDZBQOSA-N 2 0 277.456 2.047 10 0 CEAERP C[NH2+][C@H](CCN(C)CCC[NH+](C)C)c1cccc(F)c1 ZINC000111147589 186359035 /nfs/dbraw/zinc/35/90/35/186359035.db2.gz PIBKJKHUWWIJMZ-MRXNPFEDSA-N 2 0 281.419 2.360 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)N(C)C[C@@H]1CCCOC1 ZINC000111174959 186364768 /nfs/dbraw/zinc/36/47/68/186364768.db2.gz VHBNQEUPNVSPAM-DZGCQCFKSA-N 2 0 254.418 2.121 10 0 CEAERP C[N@H+](CC1CCOCC1)CC(C)(C)C[NH2+]C1CC1 ZINC000111172329 186365659 /nfs/dbraw/zinc/36/56/59/186365659.db2.gz OHODJCXJVZYJHC-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@H]2CCCOC2)CCOCC1 ZINC000111172145 186365836 /nfs/dbraw/zinc/36/58/36/186365836.db2.gz YXQYUVPKOJGAEI-MRXNPFEDSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@H+](CCC[C@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000111179289 186366543 /nfs/dbraw/zinc/36/65/43/186366543.db2.gz WTOLBOXKOVPMBY-CABCVRRESA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2CC)CCCOC1 ZINC000111323332 186396654 /nfs/dbraw/zinc/39/66/54/186396654.db2.gz GBPAOPHXMHVMCK-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[N@H+](C)C(C)C)CCCOC1 ZINC000111323989 186396930 /nfs/dbraw/zinc/39/69/30/186396930.db2.gz BTPHUANLFSQAMZ-HNNXBMFYSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[N@H+](C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111324867 186399015 /nfs/dbraw/zinc/39/90/15/186399015.db2.gz UHWJGLPXBDOTRO-HNNXBMFYSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH+]1CCC(N(C)c2ccc(CC[NH3+])c(C)c2)CC1 ZINC000111484790 186422754 /nfs/dbraw/zinc/42/27/54/186422754.db2.gz DLOSAKWRXCSCFD-UHFFFAOYSA-N 2 0 275.440 2.417 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000111710148 186449020 /nfs/dbraw/zinc/44/90/20/186449020.db2.gz XRMRIZHMFGWOOL-HNNXBMFYSA-N 2 0 295.471 2.099 10 0 CEAERP CC[NH2+][C@@H](C)[C@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000111711942 186449037 /nfs/dbraw/zinc/44/90/37/186449037.db2.gz KGJOQNGTJVKDSJ-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CCCOC2CC[NH2+]CC2)C1 ZINC000111760563 186453301 /nfs/dbraw/zinc/45/33/01/186453301.db2.gz SEIWBQZKBCYHOC-KBPBESRZSA-N 2 0 254.418 2.123 10 0 CEAERP CC1(C[NH2+]CCCOC2CC[NH2+]CC2)CCCC1 ZINC000111761612 186454131 /nfs/dbraw/zinc/45/41/31/186454131.db2.gz JKEBWGHCWJLSRL-UHFFFAOYSA-N 2 0 254.418 2.315 10 0 CEAERP C[NH2+]CCOCCN(C)c1cc(C)[nH+]c2ccccc21 ZINC000630530909 351774312 /nfs/dbraw/zinc/77/43/12/351774312.db2.gz POKMMXJBFXURLX-UHFFFAOYSA-N 2 0 273.380 2.215 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000122839137 187054636 /nfs/dbraw/zinc/05/46/36/187054636.db2.gz GBCQGJALHPNIDC-OAHLLOKOSA-N 2 0 287.411 2.325 10 0 CEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCCO1 ZINC000093515908 539852271 /nfs/dbraw/zinc/85/22/71/539852271.db2.gz BXNKGKQEEUSVIH-KFWWJZLASA-N 2 0 254.418 2.456 10 0 CEAERP C[N@H+](CCCN[C@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539980 366234340 /nfs/dbraw/zinc/23/43/40/366234340.db2.gz YUYJCBBBPQJYDF-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cccc1Br ZINC000575440378 366287281 /nfs/dbraw/zinc/28/72/81/366287281.db2.gz RENCLGXGBSWUHP-VIFPVBQESA-N 2 0 261.138 2.327 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(I)cc1 ZINC000575440134 366287860 /nfs/dbraw/zinc/28/78/60/366287860.db2.gz JLFUKMWXPOMWFQ-JTQLQIEISA-N 2 0 290.148 2.030 10 0 CEAERP Cc1cc(Br)cc([C@H]([NH3+])CC[NH3+])c1F ZINC000575440089 366288169 /nfs/dbraw/zinc/28/81/69/366288169.db2.gz UJOYQIMYWWTAQZ-SECBINFHSA-N 2 0 261.138 2.245 10 0 CEAERP Cc1ccccc1[C@@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151313398 366638043 /nfs/dbraw/zinc/63/80/43/366638043.db2.gz VHCVHXAGSKMRCS-CVEARBPZSA-N 2 0 276.424 2.492 10 0 CEAERP COc1cccc([C@@H]([NH3+])c2cccn2CC[NH+](C)C)c1 ZINC000011848783 361366506 /nfs/dbraw/zinc/36/65/06/361366506.db2.gz QPBNBKFJMRTRIN-MRXNPFEDSA-N 2 0 273.380 2.106 10 0 CEAERP COCc1nc(C[NH2+]CC2(C)CC[NH+](C)CC2)cs1 ZINC000679484245 541279309 /nfs/dbraw/zinc/27/93/09/541279309.db2.gz JXBARNPPYXDZPH-UHFFFAOYSA-N 2 0 283.441 2.111 10 0 CEAERP C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631841176 367584065 /nfs/dbraw/zinc/58/40/65/367584065.db2.gz ZGSTTWYMXCBVRD-OCCSQVGLSA-N 2 0 271.364 2.368 10 0 CEAERP C[C@@H]([NH2+]CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400392057 296122352 /nfs/dbraw/zinc/12/23/52/296122352.db2.gz IMIRZMMIJHLIIG-KGLIPLIRSA-N 2 0 299.459 2.173 10 0 CEAERP COc1ccc(CC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670274 370487097 /nfs/dbraw/zinc/48/70/97/370487097.db2.gz VTVVWKAUFIKHSV-OAHLLOKOSA-N 2 0 262.397 2.312 10 0 CEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246719558 370999956 /nfs/dbraw/zinc/99/99/56/370999956.db2.gz XMZGWJYFOSKOHA-RBSFLKMASA-N 2 0 295.471 2.131 10 0 CEAERP [NH3+]C1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000261542948 371639644 /nfs/dbraw/zinc/63/96/44/371639644.db2.gz HIAVDZOJDBNCRK-AOCRQIFASA-N 3 0 287.451 2.368 10 0 CEAERP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000261557574 371644736 /nfs/dbraw/zinc/64/47/36/371644736.db2.gz XMCRTDJXMPLETH-NVXWUHKLSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1noc(CN)n1 ZINC000261625703 371681700 /nfs/dbraw/zinc/68/17/00/371681700.db2.gz DLBMKXCJDJLHFB-SNVBAGLBSA-N 2 0 294.786 2.245 10 0 CEAERP CCC1CCC([N@H+](CCO)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261999465 371795016 /nfs/dbraw/zinc/79/50/16/371795016.db2.gz TZDVSTJHTLYZHR-HWOWSKLDSA-N 2 0 268.445 2.249 10 0 CEAERP C[C@@H]1C[C@@H]1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029402 371803995 /nfs/dbraw/zinc/80/39/95/371803995.db2.gz XAFVLDDHMUZTSN-RBSFLKMASA-N 2 0 288.439 2.020 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000262308299 371848569 /nfs/dbraw/zinc/84/85/69/371848569.db2.gz YOLOXBKHVJQOQZ-SJORKVTESA-N 2 0 274.408 2.087 10 0 CEAERP [NH3+][C@H]1CCC[C@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000237913049 189893674 /nfs/dbraw/zinc/89/36/74/189893674.db2.gz WTEKHRDOOFFZDL-HOTGVXAUSA-N 2 0 295.471 2.276 10 0 CEAERP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000573436942 299441179 /nfs/dbraw/zinc/44/11/79/299441179.db2.gz PYRWIWVIGONCSP-KGLIPLIRSA-N 2 0 254.418 2.171 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960086 377037292 /nfs/dbraw/zinc/03/72/92/377037292.db2.gz AZJDRUXVZCRCJU-RYRKJORJSA-N 2 0 289.467 2.485 10 0 CEAERP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296680544 378616305 /nfs/dbraw/zinc/61/63/05/378616305.db2.gz LJAOXRHXSPTWMT-SWLSCSKDSA-N 2 0 260.381 2.453 10 0 CEAERP CC1(C)C(C[NH2+]CC[C@H]2CSCC[NH2+]2)C1(C)C ZINC000092820097 184629220 /nfs/dbraw/zinc/62/92/20/184629220.db2.gz XFIJUUCTQANZHV-NSHDSACASA-N 2 0 256.459 2.353 10 0 CEAERP C[C@@H](C[C@@H]1CCCCN1C(=O)OC(C)(C)C)[NH2+]CCC[NH3+] ZINC000093486060 184683164 /nfs/dbraw/zinc/68/31/64/184683164.db2.gz SEAZIOSRZMECHH-KBPBESRZSA-N 2 0 299.459 2.493 10 0 CEAERP CC[N@@H+]1CCC[C@]2(C[NH+]=C(N)N2c2cccc(C)c2)CC1 ZINC000093379735 184669220 /nfs/dbraw/zinc/66/92/20/184669220.db2.gz SNFQTFWOWZQTFW-QGZVFWFLSA-N 2 0 286.423 2.374 10 0 CEAERP C[C@H]1CC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000080466607 177656228 /nfs/dbraw/zinc/65/62/28/177656228.db2.gz AOQDCNPWYLFLJS-JYJNAYRXSA-N 2 0 265.445 2.064 10 0 CEAERP C[NH2+][C@@H]1CCC[C@H]1CC[NH+]1CCC(COC)CC1 ZINC000093555497 184689484 /nfs/dbraw/zinc/68/94/84/184689484.db2.gz QQLMUCCCWXWTAF-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCC(CC)CC1 ZINC000093592448 184693969 /nfs/dbraw/zinc/69/39/69/184693969.db2.gz FBGUUDYKZORMIO-DOTOQJQBSA-N 2 0 295.471 2.132 10 0 CEAERP CC(C)[NH2+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCCC1 ZINC000093616143 184695845 /nfs/dbraw/zinc/69/58/45/184695845.db2.gz AVLXEMBHSMMAGU-LSDHHAIUSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH2+]Cc1cc(COCC(C)(C)[NH+](C)C)on1 ZINC000093955569 184745661 /nfs/dbraw/zinc/74/56/61/184745661.db2.gz XCUDVAOOPSOENC-UHFFFAOYSA-N 2 0 269.389 2.031 10 0 CEAERP c1ccc([C@H](C[NH2+]CC2CC[NH2+]CC2)N2CCCC2)cc1 ZINC000094009538 184749826 /nfs/dbraw/zinc/74/98/26/184749826.db2.gz JJCOQKWTPJKVTH-SFHVURJKSA-N 2 0 287.451 2.413 10 0 CEAERP CN(C)C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074937 184754274 /nfs/dbraw/zinc/75/42/74/184754274.db2.gz IIBGPKXBDWAOHV-GPANFISMSA-N 2 0 261.413 2.149 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(C2CC2)cc1 ZINC000094521000 184813823 /nfs/dbraw/zinc/81/38/23/184813823.db2.gz DTJVNCMBSDDHJG-KDOFPFPSSA-N 2 0 287.451 2.447 10 0 CEAERP C[C@](C[NH3+])(N1CCC([NH+]2CCCCC2)CC1)C1(C)CC1 ZINC000094951791 184903036 /nfs/dbraw/zinc/90/30/36/184903036.db2.gz RYJXASWCJVYYJP-QGZVFWFLSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CC[NH2+]C1 ZINC000400409608 533403590 /nfs/dbraw/zinc/40/35/90/533403590.db2.gz STJIYMIWMMTOAC-PWSUYJOCSA-N 2 0 254.324 2.095 10 0 CEAERP C[C@@H]1CCC[C@](C[NH2+]C2CCC([NH3+])CC2)(N(C)C)C1 ZINC000094088116 296493714 /nfs/dbraw/zinc/49/37/14/296493714.db2.gz QFLDVRIBIRKTGT-LMPOIIKSSA-N 2 0 267.461 2.356 10 0 CEAERP Cc1ccc2c(c1)CCCN2CC[NH+]1CCC([NH3+])CC1 ZINC000092721252 135076696 /nfs/dbraw/zinc/07/66/96/135076696.db2.gz ARBPORDTKOWKIB-UHFFFAOYSA-N 2 0 273.424 2.171 10 0 CEAERP CC[N@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCC[NH2+]CC1 ZINC000262052806 394612627 /nfs/dbraw/zinc/61/26/27/394612627.db2.gz ZWIQRJHCCUUMFC-CYBMUJFWSA-N 2 0 270.417 2.040 10 0 CEAERP CCC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000121828437 394805356 /nfs/dbraw/zinc/80/53/56/394805356.db2.gz IGPHWIWWAMIUNK-LSDHHAIUSA-N 2 0 283.460 2.097 10 0 CEAERP CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263263055 154044047 /nfs/dbraw/zinc/04/40/47/154044047.db2.gz REXYOWYEQXLPJA-YKWDICOMSA-N 2 0 288.435 2.057 10 0 CEAERP CCC[NH+]1CCC(NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000020145517 171030702 /nfs/dbraw/zinc/03/07/02/171030702.db2.gz WQTDDWJFOACAMV-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP [NH3+]CCc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000020397897 171180850 /nfs/dbraw/zinc/18/08/50/171180850.db2.gz RFVZKKICKQKWDL-UHFFFAOYSA-N 2 0 273.405 2.203 10 0 CEAERP CN([C@@H](C[NH3+])c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000022162504 171364684 /nfs/dbraw/zinc/36/46/84/171364684.db2.gz QBEHCYWKQFORFC-HNNXBMFYSA-N 2 0 281.831 2.366 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(C)cc2C)CC1 ZINC000022162869 171364719 /nfs/dbraw/zinc/36/47/19/171364719.db2.gz GLEVYRFUIXWVBM-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022173624 171369511 /nfs/dbraw/zinc/36/95/11/171369511.db2.gz IRBPUQVKGFXFAN-INIZCTEOSA-N 2 0 261.413 2.021 10 0 CEAERP CC[NH+]1CCN(C[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC000022565638 171391856 /nfs/dbraw/zinc/39/18/56/171391856.db2.gz MDEOJFQZPSXQGX-AWDGRILASA-N 2 0 291.483 2.168 10 0 CEAERP COc1c(C)cnc(C[N@H+](CCC[NH3+])C(C)C)c1C ZINC000037299594 173104609 /nfs/dbraw/zinc/10/46/09/173104609.db2.gz STWGAAQEWGOPAR-UHFFFAOYSA-N 2 0 265.401 2.266 10 0 CEAERP [NH3+][C@@H]1CCCCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431784 174260398 /nfs/dbraw/zinc/26/03/98/174260398.db2.gz MDTUPPSUWVNLPG-QZTJIDSGSA-N 2 0 287.451 2.464 10 0 CEAERP C([C@@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694422 174377844 /nfs/dbraw/zinc/37/78/44/174377844.db2.gz BEKLIKYMCAUNLN-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP [NH3+]C1CCC(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000040694478 174378152 /nfs/dbraw/zinc/37/81/52/174378152.db2.gz JWLVPFCKTCLYHX-UHFFFAOYSA-N 3 0 279.472 2.454 10 0 CEAERP CCN(CC[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748394 174393226 /nfs/dbraw/zinc/39/32/26/174393226.db2.gz AWMXRBINZGQYRK-XYPWUTKMSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH+](C)CC1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000042392371 174707470 /nfs/dbraw/zinc/70/74/70/174707470.db2.gz WTUNDJDMKSRICI-MRXNPFEDSA-N 2 0 279.403 2.099 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347942 175017952 /nfs/dbraw/zinc/01/79/52/175017952.db2.gz JNTTZIKYCURXJZ-DLBZAZTESA-N 2 0 290.455 2.134 10 0 CEAERP CCC[NH+]1CCN([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043363773 175024143 /nfs/dbraw/zinc/02/41/43/175024143.db2.gz JWNJVIJNNSONQL-HIFRSBDPSA-N 2 0 265.401 2.004 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](CC3CC3)CC2)o1 ZINC000043364839 175025502 /nfs/dbraw/zinc/02/55/02/175025502.db2.gz PXVMSDPFODKWJQ-CJNGLKHVSA-N 2 0 277.412 2.004 10 0 CEAERP CCC[NH+]1CCN([C@@H]2CCc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805408 175107657 /nfs/dbraw/zinc/10/76/57/175107657.db2.gz PHASOLJWIMFPIO-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]([NH2+]CC)c2ccccc2)CC1 ZINC000043805451 175107776 /nfs/dbraw/zinc/10/77/76/175107776.db2.gz XIGJWQKEYWJVNY-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806117 175108180 /nfs/dbraw/zinc/10/81/80/175108180.db2.gz XOXNLNWXRFOBSM-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043810584 175109810 /nfs/dbraw/zinc/10/98/10/175109810.db2.gz UZUPXQSIJGHWEX-KRWDZBQOSA-N 2 0 275.440 2.318 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(CC)cc1 ZINC000043810853 175110571 /nfs/dbraw/zinc/11/05/71/175110571.db2.gz CCMQCIWTVNDKFF-QGZVFWFLSA-N 2 0 275.440 2.147 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(CN2CCC[N@H+](C)CC2)c1 ZINC000043818276 175112762 /nfs/dbraw/zinc/11/27/62/175112762.db2.gz VVGWJSIJLCLYDL-CQSZACIVSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897421 175120343 /nfs/dbraw/zinc/12/03/43/175120343.db2.gz CBFGSPHDYQTUBD-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]([NH2+]C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907717 175123227 /nfs/dbraw/zinc/12/32/27/175123227.db2.gz URYHVIFVCKNSGI-ZBFHGGJFSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965642 175126987 /nfs/dbraw/zinc/12/69/87/175126987.db2.gz OSOMBHYYHPWJAT-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](C)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970829 175131903 /nfs/dbraw/zinc/13/19/03/175131903.db2.gz LKKMXHZRHDQXET-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068463 175300255 /nfs/dbraw/zinc/30/02/55/175300255.db2.gz ADKGMNHRPRORRG-UHFFFAOYSA-N 2 0 277.412 2.452 10 0 CEAERP C[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073296 175302581 /nfs/dbraw/zinc/30/25/81/175302581.db2.gz MBYNEDQKLHTXTI-RRFJBIMHSA-N 2 0 252.402 2.018 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[C@@H](C)[NH2+][C@@H](C)CC2)C1 ZINC000045136756 175313786 /nfs/dbraw/zinc/31/37/86/175313786.db2.gz SFMSMXUTJRTHTO-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CCCCC[N@H+](C)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045388175 175374082 /nfs/dbraw/zinc/37/40/82/175374082.db2.gz VSCMOPHIKIWMIG-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP COC(=O)[C@](C)([NH3+])CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000045419334 175377970 /nfs/dbraw/zinc/37/79/70/175377970.db2.gz RDYPBEHWWBFYTM-SQWLQELKSA-N 2 0 282.428 2.169 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000071124746 176035448 /nfs/dbraw/zinc/03/54/48/176035448.db2.gz FLYTVIGXTXNBTF-GVDBMIGSSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CCC[C@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147384 176043685 /nfs/dbraw/zinc/04/36/85/176043685.db2.gz VPKLLSXEVTYIDO-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148944 176044448 /nfs/dbraw/zinc/04/44/48/176044448.db2.gz KKMRDXFNGYJLRE-HUUCEWRRSA-N 2 0 267.461 2.038 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000071148766 176044833 /nfs/dbraw/zinc/04/48/33/176044833.db2.gz IEGAYEBJMGNPKS-JKSUJKDBSA-N 2 0 281.488 2.428 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188048 176061594 /nfs/dbraw/zinc/06/15/94/176061594.db2.gz ZMLHFCYJBUIDGH-OUCADQQQSA-N 2 0 267.442 2.020 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187891 176061646 /nfs/dbraw/zinc/06/16/46/176061646.db2.gz RECVWYGWRZSUPG-YUELXQCFSA-N 2 0 281.469 2.410 10 0 CEAERP CCC[C@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188219 176062597 /nfs/dbraw/zinc/06/25/97/176062597.db2.gz QQFJLNSMDZZAGG-YLFCFFPRSA-N 2 0 281.488 2.414 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@](C)(C[NH3+])CCc1ccccc1 ZINC000071188546 176063105 /nfs/dbraw/zinc/06/31/05/176063105.db2.gz NMGIHTDXVHFXRP-QZTJIDSGSA-N 2 0 289.467 2.220 10 0 CEAERP CCC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071189014 176064913 /nfs/dbraw/zinc/06/49/13/176064913.db2.gz PTXCCHVEHBEJFK-CABCVRRESA-N 2 0 269.477 2.284 10 0 CEAERP C[N@H+](CC[C@H](O)c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071191619 176069575 /nfs/dbraw/zinc/06/95/75/176069575.db2.gz MFUPNVDSMDFSRG-CJNGLKHVSA-N 2 0 280.387 2.133 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000071191637 176070492 /nfs/dbraw/zinc/07/04/92/176070492.db2.gz ZVRNNIQNDDXAAU-AWEZNQCLSA-N 2 0 290.455 2.358 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1nc(C[NH3+])cc2ccccc21 ZINC000071191772 176071826 /nfs/dbraw/zinc/07/18/26/176071826.db2.gz LNAXSYNNPOOZIY-ZDUSSCGKSA-N 2 0 284.407 2.081 10 0 CEAERP Cc1ccsc1C[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192394 176073636 /nfs/dbraw/zinc/07/36/36/176073636.db2.gz VJPDEXMCQZPTRW-CQSZACIVSA-N 2 0 281.469 2.030 10 0 CEAERP CC[NH2+][C@@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198125 176076697 /nfs/dbraw/zinc/07/66/97/176076697.db2.gz MXMNJKFZEPOKGB-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(CN2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000071200990 176077850 /nfs/dbraw/zinc/07/78/50/176077850.db2.gz YTCMLHOPNNKHEI-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@H+](Cc1ccc(F)cc1C[NH3+])[C@@H](C)COC ZINC000071263531 176096786 /nfs/dbraw/zinc/09/67/86/176096786.db2.gz YEUNFPXOTJVILG-NSHDSACASA-N 2 0 254.349 2.141 10 0 CEAERP C[NH2+]CCCCCCN1CC[NH+](CC(C)C)CC1 ZINC000071289804 176110259 /nfs/dbraw/zinc/11/02/59/176110259.db2.gz HBHQKRYPAYJRSY-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000071293981 176111762 /nfs/dbraw/zinc/11/17/62/176111762.db2.gz NCDRBTYIVOWBBO-HNNXBMFYSA-N 2 0 284.444 2.430 10 0 CEAERP CCN1CC[NH+](CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401634 176154049 /nfs/dbraw/zinc/15/40/49/176154049.db2.gz AZRMOUULKCFJST-MRXNPFEDSA-N 2 0 261.413 2.104 10 0 CEAERP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000659851441 415730701 /nfs/dbraw/zinc/73/07/01/415730701.db2.gz HYBDHFHJAPXTCR-CVEARBPZSA-N 2 0 268.445 2.201 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071613651 176233147 /nfs/dbraw/zinc/23/31/47/176233147.db2.gz OLPLSJBZHSPNJI-IAGOWNOFSA-N 2 0 273.424 2.074 10 0 CEAERP COc1ccc([C@H](CC[NH3+])C[NH+](C)C)cc1Cl ZINC000076663527 177050132 /nfs/dbraw/zinc/05/01/32/177050132.db2.gz HENGNJPZDGDGNF-LLVKDONJSA-N 2 0 256.777 2.343 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)CC1 ZINC000080142109 177614467 /nfs/dbraw/zinc/61/44/67/177614467.db2.gz XUGRXWLQSIKDCE-ZMSDIMECSA-N 2 0 279.472 2.038 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]([NH3+])C(C)C ZINC000136391885 419446369 /nfs/dbraw/zinc/44/63/69/419446369.db2.gz DYEPSSQHILIXKV-HNNXBMFYSA-N 2 0 285.476 2.186 10 0 CEAERP CCC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187682625 270255278 /nfs/dbraw/zinc/25/52/78/270255278.db2.gz CUKVBWHLPLCGGI-ZIAGYGMSSA-N 2 0 256.434 2.200 10 0 CEAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCO1 ZINC000423021435 270821258 /nfs/dbraw/zinc/82/12/58/270821258.db2.gz FBWUBVFOSSZQTN-IHRRRGAJSA-N 2 0 254.418 2.312 10 0 CEAERP C[C@@H]([NH2+]CCSc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400428563 274247512 /nfs/dbraw/zinc/24/75/12/274247512.db2.gz ZKEDVGWASCYYTK-OLZOCXBDSA-N 2 0 250.411 2.366 10 0 CEAERP C[C@@H]1C[C@@H]1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262029397 274397130 /nfs/dbraw/zinc/39/71/30/274397130.db2.gz XAFVLDDHMUZTSN-KFWWJZLASA-N 2 0 288.439 2.020 10 0 CEAERP O=C1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)c2ccccc2N1 ZINC000333319718 275018346 /nfs/dbraw/zinc/01/83/46/275018346.db2.gz UHSNRBPHUUZVTE-JSGCOSHPSA-N 2 0 273.380 2.049 10 0 CEAERP Cc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccccc2[nH+]1 ZINC000262562263 278714629 /nfs/dbraw/zinc/71/46/29/278714629.db2.gz VSLIPMMRLWAZHR-OAHLLOKOSA-N 2 0 296.418 2.027 10 0 CEAERP CC[NH+]1CCC(N2CCC[N@@H+](C3CCC3)CC2)CC1 ZINC000335188454 279258671 /nfs/dbraw/zinc/25/86/71/279258671.db2.gz HSKJOSYYJSFOIS-UHFFFAOYSA-N 2 0 265.445 2.031 10 0 CEAERP CC[NH+]1CCC(N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000037166739 279262333 /nfs/dbraw/zinc/26/23/33/279262333.db2.gz DWYGZCRLKNHJEO-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000038042194 279606849 /nfs/dbraw/zinc/60/68/49/279606849.db2.gz RMDCKDZDXMIYNA-OAHLLOKOSA-N 2 0 283.460 2.003 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C)c1 ZINC000234751003 280220637 /nfs/dbraw/zinc/22/06/37/280220637.db2.gz NIOXBWIGJULNLC-UKRRQHHQSA-N 2 0 250.386 2.400 10 0 CEAERP CCC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[NH+](C)C ZINC000245522372 280247302 /nfs/dbraw/zinc/24/73/02/280247302.db2.gz UJRKSRLAVWTOGK-HUUCEWRRSA-N 2 0 283.460 2.097 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000248845212 280368019 /nfs/dbraw/zinc/36/80/19/280368019.db2.gz HKISGUWYCJJEEF-RBSFLKMASA-N 2 0 268.445 2.248 10 0 CEAERP CC(C)=CC[NH+]1CCC(N[C@H](C)C[NH+]2CCCC2)CC1 ZINC000049151155 519427327 /nfs/dbraw/zinc/42/73/27/519427327.db2.gz SNCJYHYPGJVDNM-MRXNPFEDSA-N 2 0 279.472 2.491 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@H]2CCSC2)CCOCC1 ZINC000052181492 519719788 /nfs/dbraw/zinc/71/97/88/519719788.db2.gz ANQAWVQYFVFCRK-AWEZNQCLSA-N 2 0 286.485 2.219 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507634 519723614 /nfs/dbraw/zinc/72/36/14/519723614.db2.gz TYVYZWKKNWFRKT-JYJNAYRXSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000052480173 519744253 /nfs/dbraw/zinc/74/42/53/519744253.db2.gz PLGVFXZBHRDABL-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371231 519794839 /nfs/dbraw/zinc/79/48/39/519794839.db2.gz QMHXVVQORNINAP-OAHLLOKOSA-N 2 0 267.461 2.179 10 0 CEAERP CCCC1CC[NH+](CCCC[C@@](C)([NH2+]C)C(N)=O)CC1 ZINC000050905934 519900987 /nfs/dbraw/zinc/90/09/87/519900987.db2.gz MKYXDXJDRUYIPB-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)C1CCOCC1 ZINC000052481149 519960288 /nfs/dbraw/zinc/96/02/88/519960288.db2.gz OSLBEBAIMONIDT-UHFFFAOYSA-N 2 0 266.385 2.390 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000069288313 519983572 /nfs/dbraw/zinc/98/35/72/519983572.db2.gz MMQPZPIWWCFDRP-ZDUSSCGKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)C2CC[NH+](C)CC2)c(C)o1 ZINC000052419931 519988258 /nfs/dbraw/zinc/98/82/58/519988258.db2.gz WLCQMLZYOWENCM-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CCC[NH2+][C@@H](C)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066134 519986067 /nfs/dbraw/zinc/98/60/67/519986067.db2.gz ALKONKZKALZNQY-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]Cc1ccc(C[NH+]2CCC(OC)CC2)cc1 ZINC000052455383 519996488 /nfs/dbraw/zinc/99/64/88/519996488.db2.gz HECOJWLZQOWVQQ-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC(C[NH+](C)C)CC2)nc1C ZINC000054999445 520032830 /nfs/dbraw/zinc/03/28/30/520032830.db2.gz QUKKVQQLBHLZDA-UHFFFAOYSA-N 2 0 296.484 2.339 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(CC[NH+](CC)CC)nc1C ZINC000054962987 520181736 /nfs/dbraw/zinc/18/17/36/520181736.db2.gz HMJKDZUTTCXONS-GFCCVEGCSA-N 2 0 264.417 2.340 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266808 521657406 /nfs/dbraw/zinc/65/74/06/521657406.db2.gz KVQJJEIKBNEBRK-MRXNPFEDSA-N 2 0 261.413 2.105 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000052453122 522127642 /nfs/dbraw/zinc/12/76/42/522127642.db2.gz ZIUYSSXMBMISMA-CQSZACIVSA-N 2 0 250.411 2.343 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065563 522130043 /nfs/dbraw/zinc/13/00/43/522130043.db2.gz GIHIYDUCDUPXFH-OWCLPIDISA-N 2 0 267.461 2.453 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064565 522132703 /nfs/dbraw/zinc/13/27/03/522132703.db2.gz FDNWQTFRSBTKRO-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH2+]CCCN1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400464961 533851851 /nfs/dbraw/zinc/85/18/51/533851851.db2.gz VTTNQHBUBYBLRX-HOCLYGCPSA-N 2 0 273.424 2.027 10 0 CEAERP C[C@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400462893 533854668 /nfs/dbraw/zinc/85/46/68/533854668.db2.gz VCEQYFSFHCRQLA-KBPBESRZSA-N 2 0 272.396 2.014 10 0 CEAERP CC(C)(C)[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000053342698 518710471 /nfs/dbraw/zinc/71/04/71/518710471.db2.gz DMHRWBVISZYHAT-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCC2)O1 ZINC000052421308 518762116 /nfs/dbraw/zinc/76/21/16/518762116.db2.gz LSQWGOFZCQLWAY-KGLIPLIRSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CCC[C@H]1C[NH+](C)C ZINC000061653537 519719528 /nfs/dbraw/zinc/71/95/28/519719528.db2.gz ULWDKLXMEKRAQD-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424434 519723196 /nfs/dbraw/zinc/72/31/96/519723196.db2.gz WEKZYJLHAOCEJS-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481016 519723944 /nfs/dbraw/zinc/72/39/44/519723944.db2.gz OBDYMDRDNCKDIG-JKSUJKDBSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)[NH2+]Cc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654730 519729071 /nfs/dbraw/zinc/72/90/71/519729071.db2.gz CFIITYAYAZZDGN-AWEZNQCLSA-N 2 0 296.484 2.167 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763386 519742781 /nfs/dbraw/zinc/74/27/81/519742781.db2.gz JJEXTNUGBKRHDW-HNNXBMFYSA-N 2 0 270.461 2.495 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCC2)O1 ZINC000052421309 519745436 /nfs/dbraw/zinc/74/54/36/519745436.db2.gz OIMUDGPLAMSNQI-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372384 519794849 /nfs/dbraw/zinc/79/48/49/519794849.db2.gz ZKDNJXUMHKKMQZ-MRXNPFEDSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C1CC[NH+](C)CC1 ZINC000062663938 519804763 /nfs/dbraw/zinc/80/47/63/519804763.db2.gz XIJCVRUEEUDEDR-CVEARBPZSA-N 2 0 267.461 2.035 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052421705 519859437 /nfs/dbraw/zinc/85/94/37/519859437.db2.gz ZPVMCKZQQAKNTJ-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054628893 519908010 /nfs/dbraw/zinc/90/80/10/519908010.db2.gz GIDZRNZHVVBCKO-ALOPSCKCSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[N@@H+]1CC ZINC000054601363 519910250 /nfs/dbraw/zinc/91/02/50/519910250.db2.gz IOXDXTWTDPQAON-HMQMGEFJSA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]CCC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000061292751 519918515 /nfs/dbraw/zinc/91/85/15/519918515.db2.gz YXSNPSJYTFGEBK-UHFFFAOYSA-N 2 0 277.412 2.467 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654737 519920099 /nfs/dbraw/zinc/92/00/99/519920099.db2.gz VXYDVYWJXNOBST-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479260 519925189 /nfs/dbraw/zinc/92/51/89/519925189.db2.gz LEFSDNUQMBMQDH-QEJZJMRPSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503393 519927491 /nfs/dbraw/zinc/92/74/91/519927491.db2.gz XPWMOROSVVDUIK-DLBZAZTESA-N 2 0 299.503 2.053 10 0 CEAERP CCC[NH2+]Cc1cccc(CN2CCC[N@H+](C)CC2)c1 ZINC000052424159 519954057 /nfs/dbraw/zinc/95/40/57/519954057.db2.gz JRDNGFBQFPJVDQ-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CC[NH2+]C[C@H](C)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061236583 519960319 /nfs/dbraw/zinc/96/03/19/519960319.db2.gz VRXAWFNSQXHDKR-HNNXBMFYSA-N 2 0 285.476 2.058 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)Cc2ccncc2)O1 ZINC000052515073 519977300 /nfs/dbraw/zinc/97/73/00/519977300.db2.gz ZZASOWSJBWCSAO-CVEARBPZSA-N 2 0 277.412 2.061 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H]2CN(C)C)cc1 ZINC000061654572 519996191 /nfs/dbraw/zinc/99/61/91/519996191.db2.gz JMDJEKLYTOCZTI-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000052481910 520009449 /nfs/dbraw/zinc/00/94/49/520009449.db2.gz FWNPDBKXWUWQPZ-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[NH2+][C@H](C)[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066165 520064555 /nfs/dbraw/zinc/06/45/55/520064555.db2.gz GDLUDOWBLSIWTP-ZNMIVQPWSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061270548 520070714 /nfs/dbraw/zinc/07/07/14/520070714.db2.gz LTEGEHJLYBYHPN-LBPRGKRZSA-N 2 0 263.385 2.075 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965171 520120426 /nfs/dbraw/zinc/12/04/26/520120426.db2.gz WQGRQGFCUKBPGJ-TWMKSMIVSA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC000054560654 520219397 /nfs/dbraw/zinc/21/93/97/520219397.db2.gz TWVMCQIOBJVZPR-QXSJWSMHSA-N 2 0 270.461 2.349 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000053491258 520224154 /nfs/dbraw/zinc/22/41/54/520224154.db2.gz SWVUVADKQLIZMX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCCCC[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075924 520224855 /nfs/dbraw/zinc/22/48/55/520224855.db2.gz GHNCQWJNNGHPJU-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC1(C)CC(NC(=O)CC[C@@H]2CCCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000050950017 520285804 /nfs/dbraw/zinc/28/58/04/520285804.db2.gz LMOQQOOETPYYDD-ZDUSSCGKSA-N 2 0 295.471 2.334 10 0 CEAERP CC1(C)CSC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569541 520515315 /nfs/dbraw/zinc/51/53/15/520515315.db2.gz SGEOCNSSZXRWRC-GHMZBOCLSA-N 2 0 253.415 2.084 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C)cc2)C1 ZINC000052372286 520525844 /nfs/dbraw/zinc/52/58/44/520525844.db2.gz WCWACBDCUZLNCA-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CCCC[N@H+](CCn1cc(C[NH2+]C2CC2)nn1)[C@H](C)CC ZINC000052372716 520541543 /nfs/dbraw/zinc/54/15/43/520541543.db2.gz SRORSFSVOBLNMQ-CQSZACIVSA-N 2 0 293.459 2.431 10 0 CEAERP CCC[C@@H](C)[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064428 520674154 /nfs/dbraw/zinc/67/41/54/520674154.db2.gz RADMAKODUYFGFX-ILXRZTDVSA-N 2 0 255.450 2.166 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061856955 520699537 /nfs/dbraw/zinc/69/95/37/520699537.db2.gz NXUBQAOGTHZCSK-UHFFFAOYSA-N 2 0 269.776 2.345 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC(CC)(CC)C[NH2+]C)C1 ZINC000062970294 520846044 /nfs/dbraw/zinc/84/60/44/520846044.db2.gz XTCAGMPCPPMSTE-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@H](C)[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078077 521066228 /nfs/dbraw/zinc/06/62/28/521066228.db2.gz PGUNHWJMSPAJNV-GJZGRUSLSA-N 2 0 255.450 2.024 10 0 CEAERP CC[N@H+](CCn1cc(C[NH2+]CC(C)C)nn1)CC(C)C ZINC000052449741 521184598 /nfs/dbraw/zinc/18/45/98/521184598.db2.gz GUSUMHHYLBSIEY-UHFFFAOYSA-N 2 0 281.448 2.002 10 0 CEAERP CCC(CC)[C@H](C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000055064554 521615665 /nfs/dbraw/zinc/61/56/65/521615665.db2.gz GSMYPNUJMMXGGU-HIFRSBDPSA-N 2 0 255.450 2.166 10 0 CEAERP CCCN(CC[NH+](C)C)c1ccnc(C[NH2+]C(C)C)c1 ZINC000051489901 521659098 /nfs/dbraw/zinc/65/90/98/521659098.db2.gz CZGGNVHLOLUCDU-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP CCN1CC[NH+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052422458 521679136 /nfs/dbraw/zinc/67/91/36/521679136.db2.gz JZPBBPNGCZCLQR-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CN(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH2+]C2CC2)c1 ZINC000061654452 521841825 /nfs/dbraw/zinc/84/18/25/521841825.db2.gz GUEGWIPUEMKZAO-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(C(N)=[NH2+])cc1Cl ZINC000062794313 521844022 /nfs/dbraw/zinc/84/40/22/521844022.db2.gz LCKIIUGIUVQEAL-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000061643551 521874216 /nfs/dbraw/zinc/87/42/16/521874216.db2.gz AZLVUTYGXUMVKA-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cccc(Cl)c1C[NH3+] ZINC000061641597 521876584 /nfs/dbraw/zinc/87/65/84/521876584.db2.gz QHNWRGROBNOXHW-LLVKDONJSA-N 2 0 267.804 2.329 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000052203563 521932197 /nfs/dbraw/zinc/93/21/97/521932197.db2.gz XPBRBFTYDCFKNM-QGZVFWFLSA-N 2 0 275.440 2.275 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000052203744 521953511 /nfs/dbraw/zinc/95/35/11/521953511.db2.gz QTQYWXNGFDUSPV-SFHVURJKSA-N 2 0 287.451 2.276 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182059 521971634 /nfs/dbraw/zinc/97/16/34/521971634.db2.gz VQQWGPKIZUBQNW-KRWDZBQOSA-N 2 0 288.435 2.492 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064010 522129328 /nfs/dbraw/zinc/12/93/28/522129328.db2.gz AQFOOQQNLVBSOC-CJNGLKHVSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074883 522131898 /nfs/dbraw/zinc/13/18/98/522131898.db2.gz NNBQFLGLRLHAPS-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643676 522401533 /nfs/dbraw/zinc/40/15/33/522401533.db2.gz VZIIPNTWCZNVEU-KBAYOESNSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078798 522490356 /nfs/dbraw/zinc/49/03/56/522490356.db2.gz GAXZBPMXMXSNGR-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CCC([NH+](C)C)CC1 ZINC000053866846 522491299 /nfs/dbraw/zinc/49/12/99/522491299.db2.gz UQUUIRGJUJENOC-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N3CCC[C@@H]3C[NH+](C)C)sc21 ZINC000061655464 522498549 /nfs/dbraw/zinc/49/85/49/522498549.db2.gz UVHWOZCIMYMXCV-NEPJUHHUSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643675 522509334 /nfs/dbraw/zinc/50/93/34/522509334.db2.gz VZIIPNTWCZNVEU-NJAFHUGGSA-N 2 0 287.451 2.288 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511735 522595258 /nfs/dbraw/zinc/59/52/58/522595258.db2.gz CYLYETXIFZUJIK-NSHDSACASA-N 2 0 262.353 2.358 10 0 CEAERP CN(CC[NH+]1CCCC1)C1(C[NH3+])CCCCCCC1 ZINC000063051275 522829177 /nfs/dbraw/zinc/82/91/77/522829177.db2.gz BUFATGUWGAFXLO-UHFFFAOYSA-N 2 0 267.461 2.456 10 0 CEAERP CN(CC[C@@H]([NH3+])c1cccc(F)c1)CC[NH+]1CCCC1 ZINC000063053599 522928676 /nfs/dbraw/zinc/92/86/76/522928676.db2.gz AZWYJJQKWNGMAD-MRXNPFEDSA-N 2 0 279.403 2.243 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570854 523352137 /nfs/dbraw/zinc/35/21/37/523352137.db2.gz OJCRSDWERWWEQV-CJNGLKHVSA-N 2 0 262.397 2.405 10 0 CEAERP C[N@@H+](Cc1ccncc1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052481024 523460705 /nfs/dbraw/zinc/46/07/05/523460705.db2.gz GUIBPBZTBGFEEC-HOTGVXAUSA-N 2 0 291.439 2.449 10 0 CEAERP COCC[N@H+](CCC[NH2+]CC(C)C)[C@@H](C)C1CC1 ZINC000052545323 523694470 /nfs/dbraw/zinc/69/44/70/523694470.db2.gz ZBJGGDGMOAAGED-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP COCC[NH+](CCOC)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052571381 523718363 /nfs/dbraw/zinc/71/83/63/523718363.db2.gz LNBIZBNVAYLSJH-UHFFFAOYSA-N 2 0 294.439 2.279 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055064751 523952439 /nfs/dbraw/zinc/95/24/39/523952439.db2.gz WTBJXVDQBRGDKS-HNNXBMFYSA-N 2 0 267.461 2.454 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CC[NH+]([C@@H](C)CC)CC2)o1 ZINC000055064342 524048039 /nfs/dbraw/zinc/04/80/39/524048039.db2.gz YFAGYFKYJUKQLV-ZFWWWQNUSA-N 2 0 279.428 2.258 10 0 CEAERP C[NH+](C)CCCOCc1cccc(C[NH2+]C2CC2)c1 ZINC000052672314 524057971 /nfs/dbraw/zinc/05/79/71/524057971.db2.gz FHBRADUWPUUHDH-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP C[C@H]1CCC[C@@H]([NH2+]CCN2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000062974476 524152803 /nfs/dbraw/zinc/15/28/03/524152803.db2.gz XRFFZPKTLVSSLW-BBWFWOEESA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]1CCC[C@H]([N@H+](C)CCNCCC[NH+](C)C)C1 ZINC000053426691 524201387 /nfs/dbraw/zinc/20/13/87/524201387.db2.gz ZIGSNXCFPJAYAM-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000068629661 524336410 /nfs/dbraw/zinc/33/64/10/524336410.db2.gz JCWDEBODAJDHOH-VQHPVUNQSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@H]1CCC[C@@](CN)([N@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630045 524337463 /nfs/dbraw/zinc/33/74/63/524337463.db2.gz XTKVHMHPSHCBLD-INMHGKMJSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642154 525017619 /nfs/dbraw/zinc/01/76/19/525017619.db2.gz OUJLIJDMTOHXMA-MRVWCRGKSA-N 2 0 267.442 2.162 10 0 CEAERP C[C@@H]1C[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000055125530 525361550 /nfs/dbraw/zinc/36/15/50/525361550.db2.gz LAUJSJXQCQSMGE-QXSJWSMHSA-N 2 0 295.471 2.131 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684853 525363663 /nfs/dbraw/zinc/36/36/63/525363663.db2.gz KZIQVHNPNHNGDK-CXAGYDPISA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1cccc(C[NH3+])c1 ZINC000050563659 525639041 /nfs/dbraw/zinc/63/90/41/525639041.db2.gz QZIOULQODFQSHH-QWHCGFSZSA-N 2 0 275.396 2.204 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062977482 525951136 /nfs/dbraw/zinc/95/11/36/525951136.db2.gz DRVSFVGZAIIVLS-KBPBESRZSA-N 2 0 279.453 2.226 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439985 536468983 /nfs/dbraw/zinc/46/89/83/536468983.db2.gz RGVKPLUMHLIHAB-OAHLLOKOSA-N 2 0 277.387 2.220 10 0 CEAERP Cc1oc(CN2CCC[C@H]2C[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000061654484 526770909 /nfs/dbraw/zinc/77/09/09/526770909.db2.gz RRHHDOKJPUTVAR-INIZCTEOSA-N 2 0 291.439 2.366 10 0 CEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccc(O)cc1 ZINC000054602345 527145213 /nfs/dbraw/zinc/14/52/13/527145213.db2.gz LOIARPZEQUCTJT-GOOCMWNKSA-N 2 0 260.381 2.279 10 0 CEAERP [NH3+]C[C@H](C[N@H+](CCO)Cc1ccccc1)c1ccccc1 ZINC000050514207 527224892 /nfs/dbraw/zinc/22/48/92/527224892.db2.gz MBZQRZGAQQUGQR-GOSISDBHSA-N 2 0 284.403 2.223 10 0 CEAERP [NH3+]Cc1ccnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000061702137 527262719 /nfs/dbraw/zinc/26/27/19/527262719.db2.gz VBKLMPPGRAPACZ-MRXNPFEDSA-N 2 0 283.375 2.194 10 0 CEAERP Cc1ncc(C[NH2+]CCCC2CC[NH2+]CC2)s1 ZINC000050953531 527270840 /nfs/dbraw/zinc/27/08/40/527270840.db2.gz IGWQQJJGTOWCOB-UHFFFAOYSA-N 2 0 253.415 2.321 10 0 CEAERP [NH3+][C@@H]1CCc2c1cccc2OCC[NH+]1CCCCC1 ZINC000062798439 527372457 /nfs/dbraw/zinc/37/24/57/527372457.db2.gz PWIDXLWZYOVMRQ-OAHLLOKOSA-N 2 0 260.381 2.497 10 0 CEAERP CC(C)[C@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC1(C)C ZINC000757149757 574510652 /nfs/dbraw/zinc/51/06/52/574510652.db2.gz OSVDQWZTDITUQA-HIFRSBDPSA-N 2 0 254.418 2.469 10 0 CEAERP Cc1nccn1C[C@H]1CCCN1Cn1cc[nH]c1=S ZINC000176076233 623997066 /nfs/dbraw/zinc/99/70/66/623997066.db2.gz KJIHGBWZEUSBTE-GFCCVEGCSA-N 2 0 277.397 2.173 10 0 CEAERP COc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250985817 625086023 /nfs/dbraw/zinc/08/60/23/625086023.db2.gz KHASVMKFFSMLRL-AEGPPILISA-N 2 0 262.397 2.343 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)CC[C@H]2CCC[NH2+]2)([NH+](C)C)C1 ZINC000261785668 629227914 /nfs/dbraw/zinc/22/79/14/629227914.db2.gz XGCGMYDGJQBQHJ-INMHGKMJSA-N 2 0 295.471 2.145 10 0 CEAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000125500595 187188667 /nfs/dbraw/zinc/18/86/67/187188667.db2.gz QBCSAMBYOATLQG-HYVNUMGLSA-N 2 0 290.455 2.383 10 0 CEAERP Brc1cnccc1NCc1c[nH]cn1 ZINC000159859058 344456340 /nfs/dbraw/zinc/45/63/40/344456340.db2.gz TWSATNKIHAFSQT-UHFFFAOYSA-N 2 0 253.103 2.179 10 0 CEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262301017 344654482 /nfs/dbraw/zinc/65/44/82/344654482.db2.gz QGHBDINKMQPYME-OWCLPIDISA-N 2 0 295.471 2.275 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)CC1 ZINC000257350890 344647692 /nfs/dbraw/zinc/64/76/92/344647692.db2.gz ATWXOLWEEQIFJV-XYPYZODXSA-N 2 0 284.201 2.204 10 0 CEAERP COc1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000311659154 344735409 /nfs/dbraw/zinc/73/54/09/344735409.db2.gz NOPHYFBESMBDDB-XEGUGMAKSA-N 2 0 264.344 2.003 10 0 CEAERP Cc1ccc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)nc1 ZINC000328656153 344757747 /nfs/dbraw/zinc/75/77/47/344757747.db2.gz ZBBOMHWKVATIPP-AWEZNQCLSA-N 2 0 270.380 2.281 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000224240025 539408394 /nfs/dbraw/zinc/40/83/94/539408394.db2.gz UWTPUWTWEDSHBP-LXTVHRRPSA-N 2 0 254.418 2.190 10 0 CEAERP CC[NH2+][C@@H](CO)CC[NH+]1CCC2(CCCC2)CC1 ZINC000085212685 178975942 /nfs/dbraw/zinc/97/59/42/178975942.db2.gz KBSUBONEVFROEY-CQSZACIVSA-N 2 0 254.418 2.003 10 0 CEAERP C[N@H+](CCCC[C@@](C)(O)C[NH3+])CC1CCCCC1 ZINC000085301635 179010628 /nfs/dbraw/zinc/01/06/28/179010628.db2.gz GHWMVTPCWJCWET-OAHLLOKOSA-N 2 0 256.434 2.379 10 0 CEAERP CC(C)(C)C1CC[NH+](CCC[C@](C)(O)C[NH3+])CC1 ZINC000085302103 179011369 /nfs/dbraw/zinc/01/13/69/179011369.db2.gz HXVWRFBOZFZSKZ-HNNXBMFYSA-N 2 0 256.434 2.234 10 0 CEAERP CCN(CC)C(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403782 179053157 /nfs/dbraw/zinc/05/31/57/179053157.db2.gz NGIAWIMERUGUIH-INIZCTEOSA-N 2 0 295.471 2.099 10 0 CEAERP C1C[C@@H]([N@@H+]2CCCCC[C@@H]2C2CC[NH2+]CC2)CO1 ZINC000085403569 179053342 /nfs/dbraw/zinc/05/33/42/179053342.db2.gz ZWPBYRQVDIDYGL-HUUCEWRRSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)CNC(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403531 179053421 /nfs/dbraw/zinc/05/34/21/179053421.db2.gz VEXWDXAEKDEPIE-INIZCTEOSA-N 2 0 295.471 2.003 10 0 CEAERP CC[NH+](CC)CCCn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085569195 179095821 /nfs/dbraw/zinc/09/58/21/179095821.db2.gz DEFPMTIJOPGWCC-UHFFFAOYSA-N 2 0 292.471 2.459 10 0 CEAERP CC(C)(C)c1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573012 179098716 /nfs/dbraw/zinc/09/87/16/179098716.db2.gz HMGOEFMEGLYBMH-CYBMUJFWSA-N 2 0 288.439 2.236 10 0 CEAERP C[N@@H+]1CC[C@H](n2c3c(nc2-c2ccccc2)C[NH2+]CC3)C1 ZINC000085607109 179101704 /nfs/dbraw/zinc/10/17/04/179101704.db2.gz FVSAYOFXVOULEV-AWEZNQCLSA-N 2 0 282.391 2.072 10 0 CEAERP COCCC[N@@H+]1C[C@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618759 179103854 /nfs/dbraw/zinc/10/38/54/179103854.db2.gz VPPGOTOLGVRJHN-RDJZCZTQSA-N 2 0 276.424 2.318 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623237 179105276 /nfs/dbraw/zinc/10/52/76/179105276.db2.gz CWACPWVOOMSQJW-KGLIPLIRSA-N 2 0 252.402 2.162 10 0 CEAERP COCCOCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085621082 179105483 /nfs/dbraw/zinc/10/54/83/179105483.db2.gz YBOMFIRHFHUUBL-HNNXBMFYSA-N 2 0 284.444 2.036 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085621150 179105647 /nfs/dbraw/zinc/10/56/47/179105647.db2.gz LTNPMOWCLMKRGI-GJZGRUSLSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH+](C)CCCC[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675984 179112311 /nfs/dbraw/zinc/11/23/11/179112311.db2.gz LYSSCFJAPYRXHN-IHRRRGAJSA-N 2 0 254.418 2.121 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986001 179211720 /nfs/dbraw/zinc/21/17/20/179211720.db2.gz PJJHFVZIKHLDTE-ZNMIVQPWSA-N 2 0 254.418 2.002 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182538 179247525 /nfs/dbraw/zinc/24/75/25/179247525.db2.gz DHIDTUDNBXPRNN-XHSDSOJGSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146570 179239089 /nfs/dbraw/zinc/23/90/89/179239089.db2.gz PDSJBLLTBCWNEN-HOTGVXAUSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H](C)[C@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145695 179239155 /nfs/dbraw/zinc/23/91/55/179239155.db2.gz OJXWZAMVKQJFNF-GDBMZVCRSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217826 179249243 /nfs/dbraw/zinc/24/92/43/179249243.db2.gz JORVJRSHZZPYHD-WMLDXEAASA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259592 179258041 /nfs/dbraw/zinc/25/80/41/179258041.db2.gz RPFHVPVYSOYITE-KZNAEPCWSA-N 2 0 291.483 2.322 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259344 179258566 /nfs/dbraw/zinc/25/85/66/179258566.db2.gz STQLFHORAOGPCK-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261055 179259727 /nfs/dbraw/zinc/25/97/27/179259727.db2.gz WLZSXEMPGKEGBB-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260780 179260207 /nfs/dbraw/zinc/26/02/07/179260207.db2.gz UARYKCVBDKFTEL-CABCVRRESA-N 2 0 267.461 2.179 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288658 179264531 /nfs/dbraw/zinc/26/45/31/179264531.db2.gz XNSAPQJDHSVOEJ-MRXNPFEDSA-N 2 0 279.472 2.326 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086290484 179265828 /nfs/dbraw/zinc/26/58/28/179265828.db2.gz LLXBHEALNWIHGA-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292428 179266282 /nfs/dbraw/zinc/26/62/82/179266282.db2.gz KUVRICFOQKQOLR-HNNXBMFYSA-N 2 0 266.429 2.411 10 0 CEAERP C([C@H]1CCCOC1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292431 179266483 /nfs/dbraw/zinc/26/64/83/179266483.db2.gz KUVRICFOQKQOLR-OAHLLOKOSA-N 2 0 266.429 2.411 10 0 CEAERP CC[C@]1(C)C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293864 179267516 /nfs/dbraw/zinc/26/75/16/179267516.db2.gz KDSPCHPTXDINSK-DOTOQJQBSA-N 2 0 274.408 2.454 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443648 179293905 /nfs/dbraw/zinc/29/39/05/179293905.db2.gz MISGHJMINIBOKK-LBPRGKRZSA-N 2 0 294.468 2.400 10 0 CEAERP CCCC[NH+]1CCC(N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818530 179347277 /nfs/dbraw/zinc/34/72/77/179347277.db2.gz GWQPRJXJYSWGOE-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CN(Cc1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819353 179348347 /nfs/dbraw/zinc/34/83/47/179348347.db2.gz SENABHYWPJHOIS-INIZCTEOSA-N 2 0 279.403 2.071 10 0 CEAERP CN(c1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819507 179348404 /nfs/dbraw/zinc/34/84/04/179348404.db2.gz WRKMBWMWKZNENZ-HNNXBMFYSA-N 2 0 265.376 2.075 10 0 CEAERP CN(Cc1ccccc1F)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819350 179348880 /nfs/dbraw/zinc/34/88/80/179348880.db2.gz DMJQZJWPQOGLBW-MRXNPFEDSA-N 2 0 279.403 2.071 10 0 CEAERP C[N@@H+]1CCC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000086817248 179344555 /nfs/dbraw/zinc/34/45/55/179344555.db2.gz XIIMMWXYRPHOFP-CVEARBPZSA-N 2 0 291.439 2.490 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000086847002 179356343 /nfs/dbraw/zinc/35/63/43/179356343.db2.gz MRSBNQCAWKEZDL-OAHLLOKOSA-N 2 0 281.469 2.383 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000086848256 179356368 /nfs/dbraw/zinc/35/63/68/179356368.db2.gz BJYFLOCROUVZDN-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836306 179350866 /nfs/dbraw/zinc/35/08/66/179350866.db2.gz ZYJWVCHGOIBTBY-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836414 179351572 /nfs/dbraw/zinc/35/15/72/179351572.db2.gz BBNQIZGNAOXQRT-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000086836985 179352139 /nfs/dbraw/zinc/35/21/39/179352139.db2.gz AEXAANOFRNLABO-ZNMIVQPWSA-N 2 0 254.418 2.406 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842135 179353009 /nfs/dbraw/zinc/35/30/09/179353009.db2.gz QWLVRVITSXBJJS-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CCCCN(C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846544 179354752 /nfs/dbraw/zinc/35/47/52/179354752.db2.gz MUUUCSUONHEKTR-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCCCN(CC)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846570 179355483 /nfs/dbraw/zinc/35/54/83/179355483.db2.gz PWFVQTAWASOJSV-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848878 179357955 /nfs/dbraw/zinc/35/79/55/179357955.db2.gz HGEVJEKOTMAPIQ-LSDHHAIUSA-N 2 0 285.501 2.017 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086911996 179367352 /nfs/dbraw/zinc/36/73/52/179367352.db2.gz VZVGICVIZRCRGS-NVXWUHKLSA-N 2 0 279.472 2.454 10 0 CEAERP C[NH+](C)CCC[NH2+]CCOCc1cccc(Cl)c1 ZINC000087096482 179393973 /nfs/dbraw/zinc/39/39/73/179393973.db2.gz KHPRQKZNNATRCW-UHFFFAOYSA-N 2 0 270.804 2.398 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087684980 179470301 /nfs/dbraw/zinc/47/03/01/179470301.db2.gz HOHYUGGHULQJTF-UONOGXRCSA-N 2 0 283.460 2.083 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CCC(C)(C)CC[NH3+])C1 ZINC000087702316 179473623 /nfs/dbraw/zinc/47/36/23/179473623.db2.gz ANWYZCLBWXMCFA-CQSZACIVSA-N 2 0 283.460 2.084 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cccc(Cl)c1CC[NH3+] ZINC000104280132 185953286 /nfs/dbraw/zinc/95/32/86/185953286.db2.gz FYCPFYJCLNDZLK-LBPRGKRZSA-N 2 0 281.831 2.372 10 0 CEAERP C[C@@H]([NH2+]CCSc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400428561 233178435 /nfs/dbraw/zinc/17/84/35/233178435.db2.gz ZKEDVGWASCYYTK-CHWSQXEVSA-N 2 0 250.411 2.366 10 0 CEAERP C[C@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000400345763 233176427 /nfs/dbraw/zinc/17/64/27/233176427.db2.gz IWDBGLRBFKZWBV-JQWIXIFHSA-N 2 0 270.323 2.376 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(CN(C)CC[NH+]2CCCC2)C1 ZINC000089624200 179831912 /nfs/dbraw/zinc/83/19/12/179831912.db2.gz KJNUBYBNPTUYQG-JKSUJKDBSA-N 2 0 267.461 2.169 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CC)C1CCCC1 ZINC000090566152 180005882 /nfs/dbraw/zinc/00/58/82/180005882.db2.gz KIWBCBZZCJCCLS-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567117 180006978 /nfs/dbraw/zinc/00/69/78/180006978.db2.gz HWNPDSOPLSWZMX-MSOLQXFVSA-N 2 0 288.435 2.102 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090873635 180049696 /nfs/dbraw/zinc/04/96/96/180049696.db2.gz YYUICAIJIPQECY-BBRMVZONSA-N 2 0 274.408 2.310 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)O2 ZINC000090876243 180050595 /nfs/dbraw/zinc/05/05/95/180050595.db2.gz YGMYKWXHIFLLKS-IRXDYDNUSA-N 2 0 286.419 2.454 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[N@@H+]1C[C@@H]3C[NH2+]C[C@@H]3C1(C)C)O2 ZINC000090900397 180059158 /nfs/dbraw/zinc/05/91/58/180059158.db2.gz ZFODSPVLCKPHTC-XHSDSOJGSA-N 2 0 286.419 2.228 10 0 CEAERP C[N@H+](C[C@H]1Cc2cc(Cl)ccc2O1)C1CC[NH2+]CC1 ZINC000090900030 180059200 /nfs/dbraw/zinc/05/92/00/180059200.db2.gz ZWAQKMBLJQTUOL-CQSZACIVSA-N 2 0 280.799 2.327 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090903686 180059759 /nfs/dbraw/zinc/05/97/59/180059759.db2.gz NRIHCBQEPNRKOO-FZMZJTMJSA-N 2 0 280.799 2.185 10 0 CEAERP CC1CCC([NH2+]CCN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091430895 180153492 /nfs/dbraw/zinc/15/34/92/180153492.db2.gz HAYKLFAWAFEYRS-GPANFISMSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCC[C@H]1CCOc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091434604 180154416 /nfs/dbraw/zinc/15/44/16/180154416.db2.gz HVONQZNHHDEMDA-AWEZNQCLSA-N 2 0 292.427 2.228 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N3CCC[C@H]([NH+](C)C)C3)sc21 ZINC000091449299 180157560 /nfs/dbraw/zinc/15/75/60/180157560.db2.gz ATCUJFKNRZCCNA-NWDGAFQWSA-N 2 0 294.468 2.270 10 0 CEAERP CCOc1ccccc1OCC[N@H+](C)CC1CC([NH3+])C1 ZINC000091477173 180165989 /nfs/dbraw/zinc/16/59/89/180165989.db2.gz UEMHEUYTCPAJSP-UHFFFAOYSA-N 2 0 278.396 2.133 10 0 CEAERP CC1CCC([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091391733 180145048 /nfs/dbraw/zinc/14/50/48/180145048.db2.gz FSUYFZJWJDHEOU-SSHXOBKSSA-N 2 0 267.461 2.166 10 0 CEAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091392736 180145797 /nfs/dbraw/zinc/14/57/97/180145797.db2.gz VBSYCMJDMJMRPS-VYDXJSESSA-N 2 0 275.440 2.409 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@]2(C[NH3+])CCCC(C)(C)C2)C1 ZINC000091395452 180146236 /nfs/dbraw/zinc/14/62/36/180146236.db2.gz OYUHEAQHLAJFHF-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091394943 180146381 /nfs/dbraw/zinc/14/63/81/180146381.db2.gz DEAZAYBPLUPANL-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH3+])C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404833 180147105 /nfs/dbraw/zinc/14/71/05/180147105.db2.gz FHGXBEYGCRJTQI-AWEZNQCLSA-N 3 0 267.461 2.168 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)CC1CC(O)C1 ZINC000091405566 180147133 /nfs/dbraw/zinc/14/71/33/180147133.db2.gz HNNPGDFRHLAWII-HSBZDZAISA-N 2 0 256.434 2.103 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000091405122 180147278 /nfs/dbraw/zinc/14/72/78/180147278.db2.gz XRYFYIPTMIHTTM-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C ZINC000091427435 180152030 /nfs/dbraw/zinc/15/20/30/180152030.db2.gz SDBZUNDNIHOGQA-ZYHUDNBSSA-N 2 0 282.457 2.262 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091427263 180152273 /nfs/dbraw/zinc/15/22/73/180152273.db2.gz KLRWCHLOINQYKV-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CC1(CN2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC000091427242 180152279 /nfs/dbraw/zinc/15/22/79/180152279.db2.gz GCTXZGYVFKHRDC-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)[C@](C)(CC)[C@H](N)Cc1c[nH+]ccc1N ZINC000091573605 180196281 /nfs/dbraw/zinc/19/62/81/180196281.db2.gz PSCIBYYKHQWHAI-HUUCEWRRSA-N 2 0 264.417 2.044 10 0 CEAERP CC[C@](C)([C@H](Cc1ccncc1)[NH2+]C)[NH+]1CCCC1 ZINC000091606898 180203885 /nfs/dbraw/zinc/20/38/85/180203885.db2.gz PVGONHACZYLNOE-JKSUJKDBSA-N 2 0 261.413 2.477 10 0 CEAERP C[NH2+][C@H](Cc1cccnc1N)C1([NH+]2CCCC2)CCCC1 ZINC000091640922 180213186 /nfs/dbraw/zinc/21/31/86/180213186.db2.gz JRRYWRBLJZCQJS-OAHLLOKOSA-N 2 0 288.439 2.203 10 0 CEAERP C[NH2+][C@H](Cc1ccnc(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640863 180213461 /nfs/dbraw/zinc/21/34/61/180213461.db2.gz JYYRGBNRGWDLEI-OAHLLOKOSA-N 2 0 288.439 2.203 10 0 CEAERP CC[C@H](C)n1ccc(C[C@@H]([NH3+])CC[NH+](CC)CC)n1 ZINC000091715735 180232831 /nfs/dbraw/zinc/23/28/31/180232831.db2.gz UUQMKSAIEAAAIF-KBPBESRZSA-N 2 0 266.433 2.456 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1ccn(C(C)C)n1 ZINC000091715906 180232893 /nfs/dbraw/zinc/23/28/93/180232893.db2.gz LCRYFWWEUAYDBC-ZDUSSCGKSA-N 2 0 252.406 2.066 10 0 CEAERP Cc1cc(C)cc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720186 180236906 /nfs/dbraw/zinc/23/69/06/180236906.db2.gz UQWNEAHPXDJJHZ-PMPSAXMXSA-N 2 0 260.381 2.166 10 0 CEAERP CC[N@H+](Cc1nc(C(C)C)no1)C1CCC([NH3+])CC1 ZINC000091851122 180272360 /nfs/dbraw/zinc/27/23/60/180272360.db2.gz MJQHPYBHIHGCGM-UHFFFAOYSA-N 2 0 266.389 2.285 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)NCC(C)C)C1CCC([NH3+])CC1 ZINC000091852558 180272751 /nfs/dbraw/zinc/27/27/51/180272751.db2.gz UVQLUFLWVIFCPO-WLYUNCDWSA-N 2 0 283.460 2.129 10 0 CEAERP CCC[N@H+](CC(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091852246 180272929 /nfs/dbraw/zinc/27/29/29/180272929.db2.gz VCVRFBZUHDQRGU-UHFFFAOYSA-N 2 0 283.460 2.273 10 0 CEAERP CCC[N@H+](Cc1ccccc1C(N)=O)C1CCC([NH3+])CC1 ZINC000091852304 180273235 /nfs/dbraw/zinc/27/32/35/180273235.db2.gz MQDWSDVMQUJDPH-UHFFFAOYSA-N 2 0 289.423 2.267 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268716 /nfs/dbraw/zinc/26/87/16/180268716.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 3 0 267.461 2.453 10 0 CEAERP CCCN1CCC([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844535 180268889 /nfs/dbraw/zinc/26/88/89/180268889.db2.gz PXSWLYCBOPNCSU-UHFFFAOYSA-N 2 0 253.434 2.063 10 0 CEAERP Cn1nc(C[N@H+](C)C2CCC([NH3+])CC2)c2ccccc21 ZINC000091847845 180271329 /nfs/dbraw/zinc/27/13/29/180271329.db2.gz DSHBPZXKQOMBKJ-UHFFFAOYSA-N 2 0 272.396 2.275 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000091872727 180277915 /nfs/dbraw/zinc/27/79/15/180277915.db2.gz GZZVLFDAGJFNOY-PCKAHOCUSA-N 3 0 267.461 2.323 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000091873258 180278054 /nfs/dbraw/zinc/27/80/54/180278054.db2.gz IYRQFDIQMPRYLK-UHFFFAOYSA-N 2 0 290.407 2.436 10 0 CEAERP CCC1CCC(C[NH3+])([C@@](C)(O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000091908080 180284678 /nfs/dbraw/zinc/28/46/78/180284678.db2.gz NGOBBRKYTXKSHV-FYRZTWFESA-N 2 0 268.445 2.282 10 0 CEAERP CC1CCC(C[NH3+])(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000092003097 180304660 /nfs/dbraw/zinc/30/46/60/180304660.db2.gz MOWNZQDCPZEKDJ-GMRIPVOYSA-N 2 0 279.472 2.310 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090257 180322181 /nfs/dbraw/zinc/32/21/81/180322181.db2.gz DHUWWXRVXHVPKI-ZNMIVQPWSA-N 2 0 256.434 2.103 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3ccccc3S2)C1 ZINC000092242702 180351696 /nfs/dbraw/zinc/35/16/96/180351696.db2.gz UILYTKXQPMISLR-JSGCOSHPSA-N 2 0 262.422 2.245 10 0 CEAERP NC(=[NH2+])[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000092262362 180355237 /nfs/dbraw/zinc/35/52/37/180355237.db2.gz BXMQOEUESJAIJA-LBPRGKRZSA-N 2 0 263.410 2.427 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092302617 180359357 /nfs/dbraw/zinc/35/93/57/180359357.db2.gz YQJWKDAVFHJCMA-AWEZNQCLSA-N 2 0 260.381 2.094 10 0 CEAERP C[NH2+]C[C@@H](C)Cc1c(C)nn(-c2cc[nH+]cc2)c1C ZINC000092321752 180362392 /nfs/dbraw/zinc/36/23/92/180362392.db2.gz NNQULGXSMXRPCU-NSHDSACASA-N 2 0 258.369 2.282 10 0 CEAERP CCC[NH2+]C[C@H](C)Cc1c(C)nn(CC[NH+](C)C)c1C ZINC000092323012 180362527 /nfs/dbraw/zinc/36/25/27/180362527.db2.gz DODGGIJSAZKLJE-CYBMUJFWSA-N 2 0 280.460 2.240 10 0 CEAERP Cc1nn(CC[NH+](C)C)c(C)c1C[C@H](C)C[NH2+]C(C)C ZINC000092322993 180362543 /nfs/dbraw/zinc/36/25/43/180362543.db2.gz BDDVPUJZMISSQH-ZDUSSCGKSA-N 2 0 280.460 2.238 10 0 CEAERP Cc1nn(CC[NH+](C)C)c(C)c1[C@@H](C)C[NH2+]C(C)C ZINC000092322977 180362551 /nfs/dbraw/zinc/36/25/51/180362551.db2.gz UITAECKIANZETQ-LBPRGKRZSA-N 2 0 266.433 2.163 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1ccnc2ccccc12 ZINC000092347589 180367441 /nfs/dbraw/zinc/36/74/41/180367441.db2.gz HPZBSAZIVBCQSW-UHFFFAOYSA-N 2 0 273.380 2.032 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000092419107 180382351 /nfs/dbraw/zinc/38/23/51/180382351.db2.gz LCLLWUGSXPBKDW-MRXNPFEDSA-N 2 0 274.412 2.184 10 0 CEAERP CCNc1cc[nH+]c(CN(C)CC[NH+]2CCCC2)c1 ZINC000092419163 180382637 /nfs/dbraw/zinc/38/26/37/180382637.db2.gz DCGCMSPGPKSGHB-UHFFFAOYSA-N 2 0 262.401 2.041 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2)C[C@@H]1C ZINC000107899656 186196405 /nfs/dbraw/zinc/19/64/05/186196405.db2.gz JPNNFTFBRMCFSI-WFASDCNBSA-N 2 0 281.831 2.366 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H](C(C)C)[C@H](C)[NH2+]C)n1 ZINC000109496316 186256443 /nfs/dbraw/zinc/25/64/43/186256443.db2.gz NAVIUJNMXOSSIJ-GXTWGEPZSA-N 2 0 282.432 2.301 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCCOC1 ZINC000109550398 186262083 /nfs/dbraw/zinc/26/20/83/186262083.db2.gz WUGWHYFXMANUQA-JALIKCBVSA-N 2 0 252.402 2.160 10 0 CEAERP [NH2+]=C(NC1CCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110368908 186294888 /nfs/dbraw/zinc/29/48/88/186294888.db2.gz YUWHQSAEYPVSID-AWEZNQCLSA-N 2 0 264.417 2.014 10 0 CEAERP CC[N@@H+]1CCC[C@H](n2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629819 186307976 /nfs/dbraw/zinc/30/79/76/186307976.db2.gz LLWDSRUPHCKGHG-JTQLQIEISA-N 2 0 292.358 2.423 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705353 186314370 /nfs/dbraw/zinc/31/43/70/186314370.db2.gz UJLDCNCYDYXQKQ-UKRRQHHQSA-N 2 0 279.428 2.392 10 0 CEAERP CC[N@@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110714772 186316056 /nfs/dbraw/zinc/31/60/56/186316056.db2.gz WMIQHYRPPWGGRK-QGTPRVQTSA-N 2 0 287.451 2.288 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716379 186316191 /nfs/dbraw/zinc/31/61/91/186316191.db2.gz BOVAXKFFGRXFIL-HNNXBMFYSA-N 2 0 261.413 2.021 10 0 CEAERP CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110746624 186319556 /nfs/dbraw/zinc/31/95/56/186319556.db2.gz NHIPKCVYWSBELY-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+]Cc1oc2ccccc2c1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110751639 186320625 /nfs/dbraw/zinc/32/06/25/186320625.db2.gz BCHGCNJXLHYCCN-ZDUSSCGKSA-N 2 0 287.407 2.288 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C)c(C[NH2+]C3CC3)s2)C[C@@H]1C ZINC000110760152 186322583 /nfs/dbraw/zinc/32/25/83/186322583.db2.gz NELUCUISXKMAJB-NSHDSACASA-N 2 0 294.468 2.234 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039790 186347195 /nfs/dbraw/zinc/34/71/95/186347195.db2.gz XHTHQIIOQUUGSP-HNNXBMFYSA-N 2 0 299.409 2.484 10 0 CEAERP CCOCC[N@H+](CC)C[C@](C)(C[NH3+])c1ccccc1 ZINC000111123054 186354946 /nfs/dbraw/zinc/35/49/46/186354946.db2.gz AIEDKHWIKAFCMU-INIZCTEOSA-N 2 0 264.413 2.261 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000111130119 186356112 /nfs/dbraw/zinc/35/61/12/186356112.db2.gz MQIFITJKQQJXNT-CABZTGNLSA-N 2 0 275.849 2.283 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CC[NH+](C)C ZINC000111129609 186356115 /nfs/dbraw/zinc/35/61/15/186356115.db2.gz JTXPMJCBIQGUCU-CVEARBPZSA-N 2 0 263.429 2.267 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000111132397 186356367 /nfs/dbraw/zinc/35/63/67/186356367.db2.gz WEIUPKXGQAOUID-ZDUSSCGKSA-N 2 0 290.238 2.487 10 0 CEAERP CCCOc1cccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133814 186356787 /nfs/dbraw/zinc/35/67/87/186356787.db2.gz NLPXRPITDNCXRX-QGZVFWFLSA-N 2 0 293.455 2.359 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136081 186356986 /nfs/dbraw/zinc/35/69/86/186356986.db2.gz IBNATCWMKCWLNN-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1cc(F)ccc1N(C)CC[NH+](C)C ZINC000111140474 186357203 /nfs/dbraw/zinc/35/72/03/186357203.db2.gz WUSXTNXTWANFMB-UHFFFAOYSA-N 2 0 267.392 2.323 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(CC)cc1 ZINC000111134968 186357510 /nfs/dbraw/zinc/35/75/10/186357510.db2.gz NYVMTCUIOJRIKH-QGZVFWFLSA-N 2 0 277.456 2.393 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(OC(C)C)cc1 ZINC000111135143 186357706 /nfs/dbraw/zinc/35/77/06/186357706.db2.gz DFUALDRWFNJKBC-KRWDZBQOSA-N 2 0 293.455 2.228 10 0 CEAERP C[NH+](C)CCC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1O ZINC000111143657 186359216 /nfs/dbraw/zinc/35/92/16/186359216.db2.gz WELBKPYVIRMJOX-ZNMIVQPWSA-N 2 0 270.461 2.446 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N(C)CC1CCOCC1 ZINC000111175525 186365147 /nfs/dbraw/zinc/36/51/47/186365147.db2.gz GLTMGYAYNXVJEL-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172817 186365540 /nfs/dbraw/zinc/36/55/40/186365540.db2.gz JOYZBKJFLIAIRJ-UHFFFAOYSA-N 2 0 298.471 2.141 10 0 CEAERP CCC[N@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324933 186398164 /nfs/dbraw/zinc/39/81/64/186398164.db2.gz XDCFJVVQHFCSFA-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](C)Cc2cccc(C)c2)CCCOC1 ZINC000111328779 186399346 /nfs/dbraw/zinc/39/93/46/186399346.db2.gz XSUJDKJPLSEYDQ-KRWDZBQOSA-N 2 0 276.424 2.443 10 0 CEAERP COCCC[N@H+](C)C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329211 186399855 /nfs/dbraw/zinc/39/98/55/186399855.db2.gz AMNGQYHONDJFHD-INIZCTEOSA-N 2 0 286.460 2.140 10 0 CEAERP C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000111265521 186381604 /nfs/dbraw/zinc/38/16/04/186381604.db2.gz TULZZAQDOMDQAY-BBRMVZONSA-N 2 0 287.407 2.076 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894208 539993687 /nfs/dbraw/zinc/99/36/87/539993687.db2.gz VUXXLYGTRUPVBC-WBVHZDCISA-N 2 0 279.472 2.325 10 0 CEAERP CCC[N@H+](CC)C[C@H](O)c1ccc2c(c1)C[NH2+]CC2 ZINC000675059217 540079260 /nfs/dbraw/zinc/07/92/60/540079260.db2.gz MEKLRAFCKAIIHF-INIZCTEOSA-N 2 0 262.397 2.098 10 0 CEAERP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000570918458 299285338 /nfs/dbraw/zinc/28/53/38/299285338.db2.gz LVXKSLDHMQMZJQ-YPMHNXCESA-N 2 0 268.351 2.485 10 0 CEAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000237076780 370687578 /nfs/dbraw/zinc/68/75/78/370687578.db2.gz HNNQANIFUVCJAR-GXTWGEPZSA-N 2 0 275.396 2.252 10 0 CEAERP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000085638271 363835697 /nfs/dbraw/zinc/83/56/97/363835697.db2.gz NEELHVFIBRPXRD-QPSCCSFWSA-N 2 0 266.429 2.121 10 0 CEAERP CC[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000090773200 364064312 /nfs/dbraw/zinc/06/43/12/364064312.db2.gz ZOURISGOAMDNJI-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+](C)C[C@H]1CN(c2cc[nH+]c3ccccc32)CCO1 ZINC000110586218 364722330 /nfs/dbraw/zinc/72/23/30/364722330.db2.gz HMUXNUPRYWFOMP-ZDUSSCGKSA-N 2 0 271.364 2.002 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC000112697844 364829952 /nfs/dbraw/zinc/82/99/52/364829952.db2.gz NDNNOKRVKMERLP-AWEZNQCLSA-N 2 0 270.461 2.447 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)CC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000193294784 189639540 /nfs/dbraw/zinc/63/95/40/189639540.db2.gz LYVBCCBYEXFFCV-DZGCQCFKSA-N 2 0 283.460 2.131 10 0 CEAERP Cc1cc(NCCC[NH2+]Cc2cccnc2)cc[nH+]1 ZINC000162878172 367199685 /nfs/dbraw/zinc/19/96/85/367199685.db2.gz FXFRKTCIVMILOV-UHFFFAOYSA-N 2 0 256.353 2.377 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840688 367580864 /nfs/dbraw/zinc/58/08/64/367580864.db2.gz DTMNUPMAEDPCBM-JQWIXIFHSA-N 2 0 270.323 2.315 10 0 CEAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000181655733 368479943 /nfs/dbraw/zinc/47/99/43/368479943.db2.gz ZRAXFRVIMSXOKE-HRCADAONSA-N 2 0 267.461 2.179 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4ccccc4[nH]3)C[C@H]21 ZINC000228551213 370406422 /nfs/dbraw/zinc/40/64/22/370406422.db2.gz UDMYZKJRADVWKY-IJLUTSLNSA-N 2 0 256.353 2.127 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000236009611 370582202 /nfs/dbraw/zinc/58/22/02/370582202.db2.gz QJNRDQBZCSBOOG-HRCADAONSA-N 2 0 276.428 2.092 10 0 CEAERP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000247061413 371057263 /nfs/dbraw/zinc/05/72/63/371057263.db2.gz NVLGSLSBUDJGKL-XUWVNRHRSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC(C)(C)C1 ZINC000252093795 371432113 /nfs/dbraw/zinc/43/21/13/371432113.db2.gz HMKJGIHWGKGELZ-KFWWJZLASA-N 2 0 267.461 2.037 10 0 CEAERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261581492 371661177 /nfs/dbraw/zinc/66/11/77/371661177.db2.gz GESGXVNZQWBSCS-CWRNSKLLSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000261698543 371704922 /nfs/dbraw/zinc/70/49/22/371704922.db2.gz NYHRRGXXALXIQS-USXIJHARSA-N 2 0 282.391 2.041 10 0 CEAERP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261882700 371760855 /nfs/dbraw/zinc/76/08/55/371760855.db2.gz FNLIPDBSCRCKDT-RRFJBIMHSA-N 2 0 280.437 2.037 10 0 CEAERP c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000255994444 190000171 /nfs/dbraw/zinc/00/01/71/190000171.db2.gz PIZJBJGCANMPDH-HOCLYGCPSA-N 2 0 259.397 2.436 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000414809493 375995840 /nfs/dbraw/zinc/99/58/40/375995840.db2.gz UGVKMRSMNJKVQZ-ZYHUDNBSSA-N 2 0 284.201 2.061 10 0 CEAERP O[C@@H](C[NH2+]CCC1CCCCC1)C[NH+]1CCCCC1 ZINC000311949069 376696563 /nfs/dbraw/zinc/69/65/63/376696563.db2.gz JEXDPRUGNSXDRJ-INIZCTEOSA-N 2 0 268.445 2.393 10 0 CEAERP C1CCC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCO[C@@H]12 ZINC000423021594 376937152 /nfs/dbraw/zinc/93/71/52/376937152.db2.gz CLIQTDUMWUUKPR-BARDWOONSA-N 2 0 264.413 2.066 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CC[N@@H+]1CCCN(C)CC1 ZINC000093551700 184688844 /nfs/dbraw/zinc/68/88/44/184688844.db2.gz DAYBEBFFBAIPAO-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP C(C[C@H]1CCCO1)[NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093678165 184704972 /nfs/dbraw/zinc/70/49/72/184704972.db2.gz FXFFLSCPTKTWFZ-JALIKCBVSA-N 2 0 252.402 2.066 10 0 CEAERP CCC[C@@H]1C[C@@H]([NH+]2CCC(OCCC[NH3+])CC2)CCO1 ZINC000094070263 184753660 /nfs/dbraw/zinc/75/36/60/184753660.db2.gz FIIVOXSNUMXNPT-GOEBONIOSA-N 2 0 284.444 2.164 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)CC1 ZINC000094305176 184777939 /nfs/dbraw/zinc/77/79/39/184777939.db2.gz SWHJYVSBPLBXKP-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094465530 184805142 /nfs/dbraw/zinc/80/51/42/184805142.db2.gz KSJZNBSCXJISMP-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H](C)c1ccnc(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000094999727 184912632 /nfs/dbraw/zinc/91/26/32/184912632.db2.gz ZINVTFQLCCUWHR-HOCLYGCPSA-N 2 0 288.439 2.427 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000262708605 131254567 /nfs/dbraw/zinc/25/45/67/131254567.db2.gz OBYBWYNJEDXUIV-BBRMVZONSA-N 2 0 295.427 2.296 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000070578478 134952714 /nfs/dbraw/zinc/95/27/14/134952714.db2.gz BZBVEAHPJKGYOK-HUUCEWRRSA-N 2 0 291.414 2.465 10 0 CEAERP CC[C@H](C[NH3+])C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000087535375 135050960 /nfs/dbraw/zinc/05/09/60/135050960.db2.gz IXTKOIMVRFOARN-CYBMUJFWSA-N 2 0 281.831 2.447 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2ccccc2C[NH2+]C2CC2)C1 ZINC000091394565 135068993 /nfs/dbraw/zinc/06/89/93/135068993.db2.gz QGJOKHADIJWDSK-INIZCTEOSA-N 2 0 273.424 2.469 10 0 CEAERP C[C@@H]1CCc2ccccc2N1CC[NH+]1CCC([NH3+])CC1 ZINC000092721226 135076871 /nfs/dbraw/zinc/07/68/71/135076871.db2.gz MGFQJZANEXCONC-CQSZACIVSA-N 2 0 273.424 2.251 10 0 CEAERP C[C@H](C[NH3+])[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000093068725 135079012 /nfs/dbraw/zinc/07/90/12/135079012.db2.gz CYYJBZRTYGTBAZ-CHWSQXEVSA-N 2 0 281.831 2.445 10 0 CEAERP [NH3+]CCc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444567 135088798 /nfs/dbraw/zinc/08/87/98/135088798.db2.gz DQUNLJRXKBUVSX-CQSZACIVSA-N 2 0 277.387 2.001 10 0 CEAERP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532345 394601689 /nfs/dbraw/zinc/60/16/89/394601689.db2.gz AGXLLQHNNQSFJH-ROUUACIJSA-N 2 0 287.451 2.192 10 0 CEAERP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000384436397 395193882 /nfs/dbraw/zinc/19/38/82/395193882.db2.gz XGQGTLRLNDYNKD-DOMZBBRYSA-N 2 0 275.396 2.075 10 0 CEAERP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000573436945 395608710 /nfs/dbraw/zinc/60/87/10/395608710.db2.gz PYRWIWVIGONCSP-ZIAGYGMSSA-N 2 0 254.418 2.171 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000263206518 154036277 /nfs/dbraw/zinc/03/62/77/154036277.db2.gz JTRDUXJBYOTWIA-DMRZNYOFSA-N 2 0 294.826 2.146 10 0 CEAERP CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263263053 154044928 /nfs/dbraw/zinc/04/49/28/154044928.db2.gz REXYOWYEQXLPJA-FQXVJMBOSA-N 2 0 288.435 2.057 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H](c2ccccc2)C1 ZINC000263314922 154054719 /nfs/dbraw/zinc/05/47/19/154054719.db2.gz ZIOGZXDSOPPPCL-HILJTLORSA-N 2 0 288.435 2.129 10 0 CEAERP CSCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178308203 165236157 /nfs/dbraw/zinc/23/61/57/165236157.db2.gz NNXLWYGMSOADIU-ZDUSSCGKSA-N 2 0 253.415 2.409 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(OCC)cc2)CC1 ZINC000020179717 171043969 /nfs/dbraw/zinc/04/39/69/171043969.db2.gz DAPXFOAHVAZWAO-QGZVFWFLSA-N 2 0 291.439 2.113 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022152975 171360189 /nfs/dbraw/zinc/36/01/89/171360189.db2.gz UWFADYAADYEEQP-ZDUSSCGKSA-N 2 0 275.396 2.348 10 0 CEAERP C[N@H+](CC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000022166097 171365910 /nfs/dbraw/zinc/36/59/10/171365910.db2.gz UQMNNOLUMHLNCG-UHFFFAOYSA-N 2 0 275.396 2.348 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000023069351 171409714 /nfs/dbraw/zinc/40/97/14/171409714.db2.gz LFVZWBNPZOTYHQ-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NCCC[NH+](C)C)C1 ZINC000037210227 173033276 /nfs/dbraw/zinc/03/32/76/173033276.db2.gz QYLUWPAVVBVCJP-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038044632 174052644 /nfs/dbraw/zinc/05/26/44/174052644.db2.gz OANGKMILYDGUHB-KGLIPLIRSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000040622503 174354743 /nfs/dbraw/zinc/35/47/43/174354743.db2.gz KYESQMAVVBEYEH-CQSZACIVSA-N 2 0 276.380 2.235 10 0 CEAERP CCC(CC)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693811 174377912 /nfs/dbraw/zinc/37/79/12/174377912.db2.gz GYTKBFCWQCYWQW-UHFFFAOYSA-N 2 0 267.461 2.454 10 0 CEAERP CC[C@H](C)[NH2+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694468 174378193 /nfs/dbraw/zinc/37/81/93/174378193.db2.gz ZZWXWPZMVUGULJ-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc2c(c1)CCO2 ZINC000040749425 174393691 /nfs/dbraw/zinc/39/36/91/174393691.db2.gz UVRJATNWWIWZDE-GOOCMWNKSA-N 2 0 258.365 2.076 10 0 CEAERP CC(=O)Nc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749287 174394028 /nfs/dbraw/zinc/39/40/28/174394028.db2.gz TYTCUYAGKKAVHM-VHRNVKJDSA-N 2 0 273.380 2.099 10 0 CEAERP COc1cccnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000128351688 414808906 /nfs/dbraw/zinc/80/89/06/414808906.db2.gz JFIILLKNJKRZJM-ZDUSSCGKSA-N 2 0 261.369 2.059 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C1CC[NH+](C)CC1 ZINC000043102541 174968117 /nfs/dbraw/zinc/96/81/17/174968117.db2.gz KFJOKNAFJOEJBI-RISCZKNCSA-N 2 0 267.442 2.162 10 0 CEAERP CC[NH+](CC)[C@@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323926 175006577 /nfs/dbraw/zinc/00/65/77/175006577.db2.gz DRKVWFFCMZRCCB-IRXDYDNUSA-N 2 0 275.440 2.411 10 0 CEAERP c1ccc([C@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000043324495 175007065 /nfs/dbraw/zinc/00/70/65/175007065.db2.gz ZPEDGGOLPPUVNF-IRXDYDNUSA-N 2 0 273.424 2.165 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335717 175011446 /nfs/dbraw/zinc/01/14/46/175011446.db2.gz GSQYHIDJBBYEJA-DZGCQCFKSA-N 2 0 279.428 2.474 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](CC)CC1 ZINC000043341062 175015500 /nfs/dbraw/zinc/01/55/00/175015500.db2.gz SJIKMBFPUDCXDF-RDJZCZTQSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C(C)C)CC1 ZINC000043364369 175025082 /nfs/dbraw/zinc/02/50/82/175025082.db2.gz ZGKUKRYMEZXFAU-ZBFHGGJFSA-N 2 0 279.428 2.392 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)o1 ZINC000043365380 175026331 /nfs/dbraw/zinc/02/63/31/175026331.db2.gz VWVGTHFOXQAVSX-GOEBONIOSA-N 2 0 281.444 2.496 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](N(C)C1CC[NH+](CC)CC1)C(F)(F)F ZINC000043379171 175030896 /nfs/dbraw/zinc/03/08/96/175030896.db2.gz OBYPDYUHPFSFSU-VXGBXAGGSA-N 2 0 281.366 2.071 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390170 175033473 /nfs/dbraw/zinc/03/34/73/175033473.db2.gz TVMXWXJBNYVZJO-AWEZNQCLSA-N 2 0 285.794 2.116 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000043805963 175108203 /nfs/dbraw/zinc/10/82/03/175108203.db2.gz LKQMDJBIIZKSQC-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810749 175110598 /nfs/dbraw/zinc/11/05/98/175110598.db2.gz PLUUVZFLUJNTMD-OAGGEKHMSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815461 175112330 /nfs/dbraw/zinc/11/23/30/175112330.db2.gz OTWBFLYSHLSLPJ-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965573 175126935 /nfs/dbraw/zinc/12/69/35/175126935.db2.gz NHOBGWXYUHSXQU-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965502 175127015 /nfs/dbraw/zinc/12/70/15/175127015.db2.gz ANCYSIYHICDSMD-IRXDYDNUSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965688 175127046 /nfs/dbraw/zinc/12/70/46/175127046.db2.gz YRBINQMFBIRAHH-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1C ZINC000043967564 175128359 /nfs/dbraw/zinc/12/83/59/175128359.db2.gz RBKCOXGOCNOMTL-GOSISDBHSA-N 2 0 287.451 2.344 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000043967764 175128817 /nfs/dbraw/zinc/12/88/17/175128817.db2.gz OHAAQISGBBENIH-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967696 175128890 /nfs/dbraw/zinc/12/88/90/175128890.db2.gz NDJQJFWLALGBQT-IAGOWNOFSA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967830 175129043 /nfs/dbraw/zinc/12/90/43/175129043.db2.gz RZNONTLIXXDCGW-YJBOKZPZSA-N 2 0 287.451 2.363 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967806 175129049 /nfs/dbraw/zinc/12/90/49/175129049.db2.gz RFEMBMIOBKZNPK-JKSUJKDBSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967924 175129111 /nfs/dbraw/zinc/12/91/11/175129111.db2.gz IBAXENSUNUWAQC-OAHLLOKOSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967832 175129169 /nfs/dbraw/zinc/12/91/69/175129169.db2.gz RZNONTLIXXDCGW-MAUKXSAKSA-N 2 0 287.451 2.363 10 0 CEAERP CCCC[N@H+](C)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045368201 175362954 /nfs/dbraw/zinc/36/29/54/175362954.db2.gz OWAXMXUFQANHBA-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377469 175367132 /nfs/dbraw/zinc/36/71/32/175367132.db2.gz UNJXLSFYBHTYKX-MRXNPFEDSA-N 2 0 283.460 2.276 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)C(C)C ZINC000045385811 175372390 /nfs/dbraw/zinc/37/23/90/175372390.db2.gz NAOQMZQTOXGALV-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390498 175374764 /nfs/dbraw/zinc/37/47/64/175374764.db2.gz LDUYMUNEHVRHCB-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP C[NH2+][C@@](C)(CCCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420397 175378709 /nfs/dbraw/zinc/37/87/09/175378709.db2.gz UFWSPJBYSXTKBP-INIZCTEOSA-N 2 0 285.476 2.234 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000566245584 298957782 /nfs/dbraw/zinc/95/77/82/298957782.db2.gz VRNKJWYFYQACNM-INTQDDNPSA-N 2 0 250.308 2.305 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000070941102 176014747 /nfs/dbraw/zinc/01/47/47/176014747.db2.gz ISEDWODTYHSBCR-JKSUJKDBSA-N 2 0 290.407 2.004 10 0 CEAERP c1ccc2c(c1)CCO[C@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071090731 176031414 /nfs/dbraw/zinc/03/14/14/176031414.db2.gz NXFSQECFJVEKRN-KDOFPFPSSA-N 2 0 286.419 2.374 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123779 176034789 /nfs/dbraw/zinc/03/47/89/176034789.db2.gz KRIPWZWFVRIPQK-SOUVJXGZSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)C1 ZINC000071123886 176035313 /nfs/dbraw/zinc/03/53/13/176035313.db2.gz RBTOTZADFLDTFI-GOEBONIOSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000071124940 176035475 /nfs/dbraw/zinc/03/54/75/176035475.db2.gz UVLLSRNCUIABGT-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000071161676 176046417 /nfs/dbraw/zinc/04/64/17/176046417.db2.gz OGLFIUIQZDGOCU-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188110 176062637 /nfs/dbraw/zinc/06/26/37/176062637.db2.gz XZXUBOSTVLIFFA-ZENOOKHLSA-N 2 0 279.403 2.098 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188606 176063609 /nfs/dbraw/zinc/06/36/09/176063609.db2.gz KTZPNNJIHQCFIY-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188925 176063670 /nfs/dbraw/zinc/06/36/70/176063670.db2.gz JOERYUMXHIUQAP-ZIAGYGMSSA-N 2 0 291.439 2.098 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188622 176064079 /nfs/dbraw/zinc/06/40/79/176064079.db2.gz ZYQZDPYXRJJLPK-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189013 176064163 /nfs/dbraw/zinc/06/41/63/176064163.db2.gz BGOKIQAFQOGVDV-NCOADZHNSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188987 176064254 /nfs/dbraw/zinc/06/42/54/176064254.db2.gz OVWXUZIFTXXADT-BFYDXBDKSA-N 2 0 275.440 2.219 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N(C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000071191785 176072034 /nfs/dbraw/zinc/07/20/34/176072034.db2.gz GXCUYDRDGCKOGX-HNNXBMFYSA-N 2 0 290.455 2.215 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191847 176072433 /nfs/dbraw/zinc/07/24/33/176072433.db2.gz ZHPQNELROZSATA-JKSUJKDBSA-N 3 0 269.477 2.284 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000071193058 176075339 /nfs/dbraw/zinc/07/53/39/176075339.db2.gz SEMXLSUOOFLKOU-OLZOCXBDSA-N 2 0 290.411 2.122 10 0 CEAERP CC[NH2+][C@@H]1CCCN(CCCC[N@H+](C)C(C)C)C1 ZINC000071200751 176077814 /nfs/dbraw/zinc/07/78/14/176077814.db2.gz WZGPIMSTIURANC-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263631 176096923 /nfs/dbraw/zinc/09/69/23/176096923.db2.gz NRNWJCBJSFLXQX-CYBMUJFWSA-N 2 0 279.403 2.201 10 0 CEAERP CCc1ccc([C@H](CC[NH3+])C[NH+]2CCOCC2)cc1 ZINC000076676183 177056230 /nfs/dbraw/zinc/05/62/30/177056230.db2.gz AWFFSHUIOSFXAP-MRXNPFEDSA-N 2 0 262.397 2.014 10 0 CEAERP CCc1ccc([C@@H](CC[NH3+])C[NH+]2CCOCC2)cc1 ZINC000076676177 177056247 /nfs/dbraw/zinc/05/62/47/177056247.db2.gz AWFFSHUIOSFXAP-INIZCTEOSA-N 2 0 262.397 2.014 10 0 CEAERP C[C@H](CC[NH+](C)C)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079292673 177465341 /nfs/dbraw/zinc/46/53/41/177465341.db2.gz GVYHZOGEEPAFTH-ZIAGYGMSSA-N 2 0 285.476 2.234 10 0 CEAERP CC(C)[C@@H]([NH3+])CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000136409797 419446694 /nfs/dbraw/zinc/44/66/94/419446694.db2.gz RVKRTOGPZGMMDX-HNNXBMFYSA-N 2 0 283.460 2.131 10 0 CEAERP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519261 260104379 /nfs/dbraw/zinc/10/43/79/260104379.db2.gz XMGASPKTPBLSAF-MCIONIFRSA-N 2 0 299.459 2.362 10 0 CEAERP C[C@H](C[NH2+]C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000390557362 262217248 /nfs/dbraw/zinc/21/72/48/262217248.db2.gz IWYFNAAZGMCQTO-ODIFPOPNSA-N 3 0 275.440 2.366 10 0 CEAERP C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390569892 262220019 /nfs/dbraw/zinc/22/00/19/262220019.db2.gz BHNNANTXYYBERH-HOCLYGCPSA-N 2 0 262.397 2.323 10 0 CEAERP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609537 262227006 /nfs/dbraw/zinc/22/70/06/262227006.db2.gz ZDWWJVAYJFOJAR-NVXWUHKLSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390673768 262237686 /nfs/dbraw/zinc/23/76/86/262237686.db2.gz SUBQTSUEHGNNQT-CCNLRDMRSA-N 2 0 287.451 2.366 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C[NH+](C)C)CC(C)(C)C1 ZINC000228723013 270312638 /nfs/dbraw/zinc/31/26/38/270312638.db2.gz MJCOYVYJNOHFPR-UMVBOHGHSA-N 2 0 256.434 2.103 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000261544983 274858804 /nfs/dbraw/zinc/85/88/04/274858804.db2.gz FLNRJHLMAUSQCV-WDEREUQCSA-N 2 0 251.761 2.232 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000153712344 278805611 /nfs/dbraw/zinc/80/56/11/278805611.db2.gz GLNPLEGWRTZYQN-HIFRSBDPSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](C(C)C)CC1 ZINC000037166735 279133180 /nfs/dbraw/zinc/13/31/80/279133180.db2.gz UROVSZKAZOBYOV-MRXNPFEDSA-N 2 0 269.477 2.425 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250239445 279322986 /nfs/dbraw/zinc/32/29/86/279322986.db2.gz HCXWHWKMMJJCEV-MWDXBVQZSA-N 2 0 279.472 2.371 10 0 CEAERP COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000226466319 280215288 /nfs/dbraw/zinc/21/52/88/280215288.db2.gz HIMNGGISYSQWQU-OAHLLOKOSA-N 2 0 276.380 2.047 10 0 CEAERP CCC[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000245508538 280246007 /nfs/dbraw/zinc/24/60/07/280246007.db2.gz JHCMKJJQQXVSPY-BZUAXINKSA-N 2 0 297.487 2.201 10 0 CEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000245660984 280255406 /nfs/dbraw/zinc/25/54/06/280255406.db2.gz FPOCOMUCQRAIGJ-OAGGEKHMSA-N 2 0 268.445 2.392 10 0 CEAERP COc1ccc(Br)cc1C[NH2+]CC[C@@H](C)[NH3+] ZINC000258783730 280526966 /nfs/dbraw/zinc/52/69/66/280526966.db2.gz PKWYHUUMAKEKNA-SECBINFHSA-N 2 0 287.201 2.285 10 0 CEAERP O[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)C[NH+]1CCCCC1 ZINC000324941590 280602719 /nfs/dbraw/zinc/60/27/19/280602719.db2.gz XRHYCXJRBHDLJC-HZPDHXFCSA-N 2 0 266.429 2.002 10 0 CEAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000227496781 289874860 /nfs/dbraw/zinc/87/48/60/289874860.db2.gz SYAZSVBGBRFGOT-MJBXVCDLSA-N 2 0 266.429 2.121 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)C)nn1 ZINC000052478536 519748144 /nfs/dbraw/zinc/74/81/44/519748144.db2.gz KDEUTNNREDYNIV-CQSZACIVSA-N 2 0 281.448 2.000 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763346 519912757 /nfs/dbraw/zinc/91/27/57/519912757.db2.gz NXWAFTYKVLHYQZ-HNNXBMFYSA-N 2 0 268.445 2.393 10 0 CEAERP CCC[NH2+]Cc1oc(C[N@H+](C)CCOC)cc1C ZINC000052572993 519971779 /nfs/dbraw/zinc/97/17/79/519971779.db2.gz STDMTXLVOBCEJU-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC1CCC([N@H+](C)Cc2cccnc2C(N)=[NH2+])CC1 ZINC000061658179 520936700 /nfs/dbraw/zinc/93/67/00/520936700.db2.gz RBBPOFLYDQPLFA-UHFFFAOYSA-N 2 0 260.385 2.376 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C(C)(C)CC)CC1 ZINC000055075103 522122458 /nfs/dbraw/zinc/12/24/58/522122458.db2.gz PRBXFJOMPCSNSN-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052511765 522220317 /nfs/dbraw/zinc/22/03/17/522220317.db2.gz FRRAPGLVXPCYCQ-GFCCVEGCSA-N 2 0 254.374 2.244 10 0 CEAERP C[NH2+][C@@H](C)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055078725 522320872 /nfs/dbraw/zinc/32/08/72/522320872.db2.gz ZBELGQANMGNGEB-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@@H](CCN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055081997 522346330 /nfs/dbraw/zinc/34/63/30/522346330.db2.gz FIIVWFGGPSNPMO-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)[N@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312078 519643132 /nfs/dbraw/zinc/64/31/32/519643132.db2.gz UUDBFOKCFZKMGC-UHFFFAOYSA-N 2 0 256.312 2.015 10 0 CEAERP CC(C)C[N@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052503369 519716747 /nfs/dbraw/zinc/71/67/47/519716747.db2.gz PAHUTVPNTUEIHS-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)CN(CC[NH2+][C@@H](C)C(C)C)CC[NH+](C)C ZINC000053390807 519717401 /nfs/dbraw/zinc/71/74/01/519717401.db2.gz CIAGPZQNZMVAJD-HNNXBMFYSA-N 2 0 257.466 2.140 10 0 CEAERP CC(C)[NH2+]CC1(C[NH+]2CCCCC2)CCOCC1 ZINC000052180892 519719499 /nfs/dbraw/zinc/71/94/99/519719499.db2.gz JWMVKZUFRDNRSZ-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000053659801 519720194 /nfs/dbraw/zinc/72/01/94/519720194.db2.gz NUQANFSAONKZDI-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444974 519723452 /nfs/dbraw/zinc/72/34/52/519723452.db2.gz OSHVQUBZHNSITG-GJZGRUSLSA-N 2 0 254.418 2.406 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055081799 519726481 /nfs/dbraw/zinc/72/64/81/519726481.db2.gz OLVSXGTVWUGURT-GOSISDBHSA-N 2 0 289.467 2.177 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000055078034 519727320 /nfs/dbraw/zinc/72/73/20/519727320.db2.gz RIQFCSWFXOTMAD-WMZOPIPTSA-N 2 0 289.467 2.391 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077360 519727582 /nfs/dbraw/zinc/72/75/82/519727582.db2.gz VQRCSBSUJDJPHR-KGLIPLIRSA-N 2 0 255.450 2.022 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1COCC[NH+](C)C ZINC000052669909 519727697 /nfs/dbraw/zinc/72/76/97/519727697.db2.gz NCRZNKNUAFIPTA-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055075635 519728031 /nfs/dbraw/zinc/72/80/31/519728031.db2.gz BMVRPWFYAWCBIL-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000055075891 519728131 /nfs/dbraw/zinc/72/81/31/519728131.db2.gz RNXWCSBBPRPBDG-OAHLLOKOSA-N 2 0 295.496 2.500 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078699 519728370 /nfs/dbraw/zinc/72/83/70/519728370.db2.gz URDBDEHJLFPFOC-IKGGRYGDSA-N 2 0 281.488 2.412 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504449 519728367 /nfs/dbraw/zinc/72/83/67/519728367.db2.gz CMOCEZVOVXQNHK-CYBMUJFWSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)C[NH+]1CCN(c2cc(C[NH2+]C3CC3)ccn2)CC1 ZINC000055082567 519728590 /nfs/dbraw/zinc/72/85/90/519728590.db2.gz YBUHDTPIYJEQTH-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654354 519747436 /nfs/dbraw/zinc/74/74/36/519747436.db2.gz RWCMJPUYPQCSOQ-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](C[NH+]2CCSCC2)C1 ZINC000054559663 519803456 /nfs/dbraw/zinc/80/34/56/519803456.db2.gz CHQVJBXYEQJHFC-RDBSUJKOSA-N 2 0 256.459 2.435 10 0 CEAERP CC(C)[C@H](C[NH3+])O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702301 519815130 /nfs/dbraw/zinc/81/51/30/519815130.db2.gz FLLBEYRJSHPHCG-HOTGVXAUSA-N 2 0 262.397 2.261 10 0 CEAERP CCC[NH+]1CCC(NC2=[NH+][C@@H](CC)CS2)CC1 ZINC000049559141 519846472 /nfs/dbraw/zinc/84/64/72/519846472.db2.gz AMNOVWNYLPUREZ-NSHDSACASA-N 2 0 255.431 2.332 10 0 CEAERP CCC[NH+]1CCC(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602425 519844967 /nfs/dbraw/zinc/84/49/67/519844967.db2.gz JRHFUUGIBQTWGA-VHRNVKJDSA-N 2 0 265.445 2.205 10 0 CEAERP CCC[NH+]1CCN([C@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052421786 519859615 /nfs/dbraw/zinc/85/96/15/519859615.db2.gz CPXGKQOROAHVMA-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCC(NC(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055141551 519845002 /nfs/dbraw/zinc/84/50/02/519845002.db2.gz ODFZQIXJNPNBIS-UHFFFAOYSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000054863929 519860713 /nfs/dbraw/zinc/86/07/13/519860713.db2.gz XODZVCGEHMVLQA-JTQLQIEISA-N 2 0 268.430 2.003 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000054629364 519910448 /nfs/dbraw/zinc/91/04/48/519910448.db2.gz OTVWEPQCGRERRV-MGNMYUMUSA-N 2 0 279.472 2.322 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCC1 ZINC000054628957 519911176 /nfs/dbraw/zinc/91/11/76/519911176.db2.gz LGFWHAZNMKBXQN-HNSVSWJLSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479258 519927529 /nfs/dbraw/zinc/92/75/29/519927529.db2.gz LEFSDNUQMBMQDH-AEGPPILISA-N 2 0 254.418 2.264 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571551 519930919 /nfs/dbraw/zinc/93/09/19/519930919.db2.gz KCMMMDDBGPGTTD-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000052543958 519931719 /nfs/dbraw/zinc/93/17/19/519931719.db2.gz GTOSWPGWPQLDBT-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507627 519937094 /nfs/dbraw/zinc/93/70/94/519937094.db2.gz DCTHDSDNHASOAG-PMPSAXMXSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061654489 519948649 /nfs/dbraw/zinc/94/86/49/519948649.db2.gz FWHSGXBVUJGYBR-CQSZACIVSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000053011067 519950899 /nfs/dbraw/zinc/95/08/99/519950899.db2.gz JEYRMBJNVJWYOL-HNNXBMFYSA-N 2 0 262.397 2.169 10 0 CEAERP CCC[NH2+]Cc1cccc(COCC[NH+](C)C)c1 ZINC000052669514 519954355 /nfs/dbraw/zinc/95/43/55/519954355.db2.gz IZJOAWYNGMRVTG-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079416 519987791 /nfs/dbraw/zinc/98/77/91/519987791.db2.gz ZZVRKHODTNUDQC-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1ccccc1COC1CC[NH+](C)CC1 ZINC000052596920 520007852 /nfs/dbraw/zinc/00/78/52/520007852.db2.gz MNTIXOXVWLLACO-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1cnc(N(C)C2CC[NH+](CC)CC2)s1 ZINC000054908102 520015444 /nfs/dbraw/zinc/01/54/44/520015444.db2.gz KRZRTXOFJVIARJ-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560059 520026621 /nfs/dbraw/zinc/02/66/21/520026621.db2.gz GZNPGYFUATVMSO-ARFHVFGLSA-N 2 0 270.461 2.351 10 0 CEAERP CCC[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061643733 520082389 /nfs/dbraw/zinc/08/23/89/520082389.db2.gz UBJLGIGQVNWRHG-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079312 520122077 /nfs/dbraw/zinc/12/20/77/520122077.db2.gz RJGARSXDVFQNEP-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454809 520151612 /nfs/dbraw/zinc/15/16/12/520151612.db2.gz FJCYEKAEFRBGBS-UHFFFAOYSA-N 2 0 281.448 2.146 10 0 CEAERP CCCCC[NH2+]C[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000053487077 520225038 /nfs/dbraw/zinc/22/50/38/520225038.db2.gz BQKDZQLZAVXOLL-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCCCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075767 520225286 /nfs/dbraw/zinc/22/52/86/520225286.db2.gz DQQPWLGQMPTGQP-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCCCC[C@H](C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978352 520310988 /nfs/dbraw/zinc/31/09/88/520310988.db2.gz NHIMZRWILNIWFV-CABCVRRESA-N 2 0 255.450 2.310 10 0 CEAERP CCCC[NH+](CCCC)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052443585 520496763 /nfs/dbraw/zinc/49/67/63/520496763.db2.gz AVZDEXHCQLXNGF-UHFFFAOYSA-N 2 0 293.459 2.432 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000045708829 520726892 /nfs/dbraw/zinc/72/68/92/520726892.db2.gz ZSVXHBDGMWLKAV-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2cc(C)ccc2C[NH3+])C1 ZINC000062976886 520874390 /nfs/dbraw/zinc/87/43/90/520874390.db2.gz KTTCJNMNOVLLRO-HNNXBMFYSA-N 2 0 261.413 2.374 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239476 521003867 /nfs/dbraw/zinc/00/38/67/521003867.db2.gz XOFGNWJGPVPGBU-MRXNPFEDSA-N 2 0 283.460 2.131 10 0 CEAERP CC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052377157 521023375 /nfs/dbraw/zinc/02/33/75/521023375.db2.gz XFIOESFGROGWBV-LSDHHAIUSA-N 2 0 252.402 2.018 10 0 CEAERP CC[N@H+](CCOc1ccc(C[NH2+]C)cc1)[C@@H](C)COC ZINC000052504863 521150073 /nfs/dbraw/zinc/15/00/73/521150073.db2.gz JDAYTYWEOUFLIQ-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000062970214 521266431 /nfs/dbraw/zinc/26/64/31/521266431.db2.gz DNMJOMJOMXGFCF-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653435 521267662 /nfs/dbraw/zinc/26/76/62/521267662.db2.gz ONENRHGEKBAIKR-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950264 521602642 /nfs/dbraw/zinc/60/26/42/521602642.db2.gz MZFKJQZXBKLKIK-HZPDHXFCSA-N 2 0 297.487 2.391 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000164390109 521605173 /nfs/dbraw/zinc/60/51/73/521605173.db2.gz CLHNRBBBABVWHJ-HZPDHXFCSA-N 2 0 295.471 2.145 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@H](C)C[NH2+]C(C)(C)C ZINC000052544153 521656489 /nfs/dbraw/zinc/65/64/89/521656489.db2.gz JXDCITPUHIERAC-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1csc(C[NH2+]C(C)C)n1 ZINC000052544092 521657940 /nfs/dbraw/zinc/65/79/40/521657940.db2.gz GREYXHYXCRIOED-UHFFFAOYSA-N 2 0 298.500 2.415 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1ccc(C[NH2+]CC)o1 ZINC000052544177 521658129 /nfs/dbraw/zinc/65/81/29/521658129.db2.gz FQMMDTDBXHPCKE-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000054897709 521658580 /nfs/dbraw/zinc/65/85/80/521658580.db2.gz XMWZSZYEXLRCSO-NSHDSACASA-N 2 0 282.457 2.257 10 0 CEAERP CC[NH+]1CCN(C2(C[NH3+])CCC(C(C)C)CC2)CC1 ZINC000054556957 521672422 /nfs/dbraw/zinc/67/24/22/521672422.db2.gz LXFAJVLQTBGQEQ-UHFFFAOYSA-N 2 0 267.461 2.168 10 0 CEAERP CC[NH+]1CCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052422344 521687760 /nfs/dbraw/zinc/68/77/60/521687760.db2.gz DXMVHGJGWZOPCJ-UHFFFAOYSA-N 2 0 273.380 2.029 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccccc1Cl ZINC000061642133 521874353 /nfs/dbraw/zinc/87/43/53/521874353.db2.gz OFVCVZSIWHZDMM-DOMZBBRYSA-N 2 0 281.831 2.366 10 0 CEAERP C[NH2+]CC1(C[N@H+](CC2CC2)C(C)C)CCOCC1 ZINC000052197831 521968668 /nfs/dbraw/zinc/96/86/68/521968668.db2.gz XSYIQPCLDKKVKC-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCCCC1 ZINC000061653460 521969424 /nfs/dbraw/zinc/96/94/24/521969424.db2.gz GKZLYKKUDDBUJQ-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@H+](C)CC(C)C)cc1 ZINC000052452671 522121900 /nfs/dbraw/zinc/12/19/00/522121900.db2.gz GQNBSRRUMWEHPS-UHFFFAOYSA-N 2 0 250.386 2.373 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000055065414 522122171 /nfs/dbraw/zinc/12/21/71/522122171.db2.gz BBJVGCHAVCQMHQ-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+]Cc1ccccc1N1CC[NH+](CC(C)C)CC1 ZINC000055080272 522137702 /nfs/dbraw/zinc/13/77/02/522137702.db2.gz SOLPSTBRKOCHJD-UHFFFAOYSA-N 2 0 261.413 2.184 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963939 522339652 /nfs/dbraw/zinc/33/96/52/522339652.db2.gz HXTNXGWSOAIHLF-YESZJQIVSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077474 522339811 /nfs/dbraw/zinc/33/98/11/522339811.db2.gz VOFPGAJBAHIICS-DLBZAZTESA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963941 522344094 /nfs/dbraw/zinc/34/40/94/522344094.db2.gz HXTNXGWSOAIHLF-ULQDDVLXSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654705 522542692 /nfs/dbraw/zinc/54/26/92/522542692.db2.gz NQWXBMXYFYZKJO-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CNCc2ccccc21 ZINC000069267508 522658919 /nfs/dbraw/zinc/65/89/19/522658919.db2.gz YFFBAQUOERTWIJ-QGZVFWFLSA-N 2 0 273.424 2.105 10 0 CEAERP CN(CC1CC[NH+](C)CC1)c1ncccc1C[NH2+]C1CC1 ZINC000063122206 522659006 /nfs/dbraw/zinc/65/90/06/522659006.db2.gz YIVIVAPIIHKGAX-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812030 522831615 /nfs/dbraw/zinc/83/16/15/522831615.db2.gz LMFWGTBMJUTJHL-OAHLLOKOSA-N 2 0 287.407 2.460 10 0 CEAERP COc1cc2c(cc1OC)C[N@@H+]([C@H](C)CCC[NH3+])CC2 ZINC000052417243 523031994 /nfs/dbraw/zinc/03/19/94/523031994.db2.gz YVCRRKWNYVJYAA-GFCCVEGCSA-N 2 0 278.396 2.189 10 0 CEAERP C[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CCOCC1 ZINC000052481270 523079552 /nfs/dbraw/zinc/07/95/52/523079552.db2.gz PBELXTNDZVTPBV-GJZGRUSLSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@@H]1CCC[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052479779 523251026 /nfs/dbraw/zinc/25/10/26/523251026.db2.gz QVKSVVHLQSMFMG-CQSZACIVSA-N 2 0 293.459 2.288 10 0 CEAERP CC[C@](C)(C[NH2+]CC(C)C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969940 523464814 /nfs/dbraw/zinc/46/48/14/523464814.db2.gz XLTPSWDFNFIZRJ-JKSUJKDBSA-N 2 0 269.477 2.284 10 0 CEAERP COCC[N@H+](C)CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052572863 523615735 /nfs/dbraw/zinc/61/57/35/523615735.db2.gz DVGNHCVGENUSAP-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072448 523954425 /nfs/dbraw/zinc/95/44/25/523954425.db2.gz ZSJHKYIFRWKLQT-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074862 523959347 /nfs/dbraw/zinc/95/93/47/523959347.db2.gz COSMQQBCHYXYEI-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C[NH2+]C)CC1 ZINC000055073332 523962239 /nfs/dbraw/zinc/96/22/39/523962239.db2.gz PXEWKOHOLZTRTO-HNNXBMFYSA-N 2 0 290.455 2.338 10 0 CEAERP C[NH+](C)CC1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266401 524049630 /nfs/dbraw/zinc/04/96/30/524049630.db2.gz LMTBRSFWRRTMLA-QGZVFWFLSA-N 2 0 273.424 2.105 10 0 CEAERP C[C@H](CC[NH+](C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049559110 524172292 /nfs/dbraw/zinc/17/22/92/524172292.db2.gz GMBPAFWODCTGTF-SECBINFHSA-N 2 0 250.321 2.270 10 0 CEAERP C[C@H](CC[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484251 524193531 /nfs/dbraw/zinc/19/35/31/524193531.db2.gz NUZJYKUDDAVDLC-OAHLLOKOSA-N 2 0 279.472 2.467 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000068628183 524429461 /nfs/dbraw/zinc/42/94/61/524429461.db2.gz AYGCGLVDEONFFY-BFYDXBDKSA-N 2 0 279.472 2.168 10 0 CEAERP C[C@@H]1CC[C@H](C)[C@@](CN)([NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000068628332 524657996 /nfs/dbraw/zinc/65/79/96/524657996.db2.gz SPFUUBNCIPGLMH-HLLBOEOZSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCC[C@@H]1C[NH+](C)C ZINC000061642184 524837637 /nfs/dbraw/zinc/83/76/37/524837637.db2.gz QDZGLMZLXZSXTL-ZENOOKHLSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655764 524868273 /nfs/dbraw/zinc/86/82/73/524868273.db2.gz ZGSLDQKHMKKVFV-SWLSCSKDSA-N 2 0 290.411 2.264 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684852 525363467 /nfs/dbraw/zinc/36/34/67/525363467.db2.gz KZIQVHNPNHNGDK-SUMWQHHRSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)c1cccs1 ZINC000061655083 525449294 /nfs/dbraw/zinc/44/92/94/525449294.db2.gz QQMADFFDNSTWFX-ZIAGYGMSSA-N 2 0 281.469 2.425 10 0 CEAERP Cc1cccnc1N1CCC[N@H+](CCCCC[NH3+])CC1 ZINC000051040743 525534561 /nfs/dbraw/zinc/53/45/61/525534561.db2.gz MFNMSDMHPGXOJY-UHFFFAOYSA-N 2 0 276.428 2.031 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643505 525767771 /nfs/dbraw/zinc/76/77/71/525767771.db2.gz PASNUHYIPKSXGP-UAGQMJEPSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642002 525981386 /nfs/dbraw/zinc/98/13/86/525981386.db2.gz OLAODHXWFNBHQI-GUTXKFCHSA-N 2 0 281.469 2.471 10 0 CEAERP Cc1oc(C[NH3+])cc1C[N@H+](C)CCc1ccncc1 ZINC000052483104 526768533 /nfs/dbraw/zinc/76/85/33/526768533.db2.gz SOJWARGELRTMSL-UHFFFAOYSA-N 2 0 259.353 2.116 10 0 CEAERP Cc1oc(CN2CCC[N@H+](C)CC2)cc1C[NH2+]CC(C)C ZINC000052424191 526770657 /nfs/dbraw/zinc/77/06/57/526770657.db2.gz DZUZUMHRXHQVOW-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP NC(=[NH2+])C[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055023260 526818100 /nfs/dbraw/zinc/81/81/00/526818100.db2.gz DZXZXUNKVOPMAX-MRXNPFEDSA-N 2 0 286.423 2.081 10 0 CEAERP [NH3+]Cc1c(F)cccc1OCCC[NH+]1CCCC1 ZINC000049331642 527242865 /nfs/dbraw/zinc/24/28/65/527242865.db2.gz RDSWTCBMCLNHFD-UHFFFAOYSA-N 2 0 252.333 2.149 10 0 CEAERP C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919589 624695292 /nfs/dbraw/zinc/69/52/92/624695292.db2.gz XPPTWZJWKDCAFZ-RRFJBIMHSA-N 2 0 252.402 2.020 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000052097272 624773148 /nfs/dbraw/zinc/77/31/48/624773148.db2.gz VRABEGMAXHKVAL-KRWDZBQOSA-N 2 0 276.424 2.168 10 0 CEAERP Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000311831380 627702657 /nfs/dbraw/zinc/70/26/57/627702657.db2.gz PDHODLBDSJMHMH-SOUVJXGZSA-N 2 0 260.381 2.043 10 0 CEAERP Fc1cc(F)cc(CC[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000129229052 651880836 /nfs/dbraw/zinc/88/08/36/651880836.db2.gz FWPJRADKMCJHSD-CQSZACIVSA-N 2 0 254.324 2.239 10 0 CEAERP COCC1=CC[N@H+](CC2CCC(C[NH3+])CC2)CC1 ZINC000097031487 185155336 /nfs/dbraw/zinc/15/53/36/185155336.db2.gz SYMFJGVWBOHSME-UHFFFAOYSA-N 2 0 252.402 2.030 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000261565017 282188152 /nfs/dbraw/zinc/18/81/52/282188152.db2.gz XZKXFFBYRAKKLD-GHMZBOCLSA-N 2 0 251.761 2.089 10 0 CEAERP [NH3+]CCCN1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000039173055 343435398 /nfs/dbraw/zinc/43/53/98/343435398.db2.gz UUFAPTHUEHHMIS-QGZVFWFLSA-N 2 0 273.424 2.030 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401028 343800923 /nfs/dbraw/zinc/80/09/23/343800923.db2.gz CKKXSOFANOKPTB-CVEARBPZSA-N 2 0 289.423 2.067 10 0 CEAERP Cc1nc2cc(NC(=O)[C@@]3(C)CCCC[NH2+]3)ccc2[nH]1 ZINC000136168778 344384331 /nfs/dbraw/zinc/38/43/31/344384331.db2.gz WNXYEUOCUFTETR-OAHLLOKOSA-N 2 0 272.352 2.342 10 0 CEAERP CC[NH2+][C@@H](C)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000084392564 178879753 /nfs/dbraw/zinc/87/97/53/178879753.db2.gz WSKGIADIPCSKIG-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](CO)CC[NH+]1CCC(CCC)CC1 ZINC000085210904 178973506 /nfs/dbraw/zinc/97/35/06/178973506.db2.gz UWCANIQSLYHJHL-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP C[C@H]1CCC[C@](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000085370615 179040770 /nfs/dbraw/zinc/04/07/70/179040770.db2.gz BRDWGMQEUYGRSE-IVSAIRAKSA-N 2 0 295.471 2.131 10 0 CEAERP C[NH+](C)CCCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606051 179099998 /nfs/dbraw/zinc/09/99/98/179099998.db2.gz PJQHGIWRZVOOEE-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP CC(C)C[C@H]1C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085621910 179105490 /nfs/dbraw/zinc/10/54/90/179105490.db2.gz MIBMVEGIBPWOKB-KKUMJFAQSA-N 2 0 254.418 2.264 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086143125 179237407 /nfs/dbraw/zinc/23/74/07/179237407.db2.gz LQTIJYQOZUTXGS-IRXDYDNUSA-N 2 0 273.424 2.117 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182511 179247479 /nfs/dbraw/zinc/24/74/79/179247479.db2.gz JGXJSVUJPBGYMN-KURKYZTESA-N 2 0 291.483 2.179 10 0 CEAERP CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173673 179244320 /nfs/dbraw/zinc/24/43/20/179244320.db2.gz PXNABJGOBWOLQW-SJORKVTESA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H](C)CC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086173270 179244765 /nfs/dbraw/zinc/24/47/65/179244765.db2.gz ZCIOUAGEKKHBMC-YHUYYLMFSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086172522 179244904 /nfs/dbraw/zinc/24/49/04/179244904.db2.gz QGASANBRWDEDOY-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)NC[C@@H]2C(C)C)CC1 ZINC000086173700 179244923 /nfs/dbraw/zinc/24/49/23/179244923.db2.gz AXBMYQMWNDCAJG-GDBMZVCRSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1CCCC[NH+](C)C ZINC000086174279 179245722 /nfs/dbraw/zinc/24/57/22/179245722.db2.gz DWEYKGVHHLCIQN-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+]1CCC(CN2CC[NH2+][C@H](CC(C)C)C2)CC1 ZINC000086145730 179238865 /nfs/dbraw/zinc/23/88/65/179238865.db2.gz FRROJDXNMQDCDJ-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217851 179249400 /nfs/dbraw/zinc/24/94/00/179249400.db2.gz CMLMYBHRMWXKOI-QAPCUYQASA-N 2 0 287.451 2.290 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1CCC[NH+](C)C ZINC000086217782 179249507 /nfs/dbraw/zinc/24/95/07/179249507.db2.gz IWDZIDORVNWPAD-CABCVRRESA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223045 179250476 /nfs/dbraw/zinc/25/04/76/179250476.db2.gz KWYBSMGXXBRCRR-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223071 179251129 /nfs/dbraw/zinc/25/11/29/179251129.db2.gz DDUXYZJLJWAJPA-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223062 179251138 /nfs/dbraw/zinc/25/11/38/179251138.db2.gz NFJAGYOXHOXUAL-BRWVUGGUSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224021 179253871 /nfs/dbraw/zinc/25/38/71/179253871.db2.gz NZYRDGAJAQXFBV-OAGGEKHMSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260731 179259712 /nfs/dbraw/zinc/25/97/12/179259712.db2.gz TXOHEJOTPDKCFQ-NXHRZFHOSA-N 2 0 293.499 2.425 10 0 CEAERP CCC1(CC)CN(CCCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000086261083 179260044 /nfs/dbraw/zinc/26/00/44/179260044.db2.gz OGRCSILYYXFVQS-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC1(CC)CN([C@@H](C)CC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086255839 179257152 /nfs/dbraw/zinc/25/71/52/179257152.db2.gz YCCRXDFXJOABDQ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291371 179265758 /nfs/dbraw/zinc/26/57/58/179265758.db2.gz WWQGWETVOVRNCY-KKUMJFAQSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293268 179266953 /nfs/dbraw/zinc/26/69/53/179266953.db2.gz FQFXFWHIOFTVPE-OAHLLOKOSA-N 3 0 255.450 2.038 10 0 CEAERP C1CCC2(CC1)C[N@@H+]([C@@H]1CCCOC1)CCC[NH2+]2 ZINC000086297577 179267267 /nfs/dbraw/zinc/26/72/67/179267267.db2.gz IQZIRJDPCBOLCX-CQSZACIVSA-N 2 0 252.402 2.164 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293505 179267460 /nfs/dbraw/zinc/26/74/60/179267460.db2.gz NLBYXSPJTXIWOZ-XQLPTFJDSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](COC)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086299457 179269242 /nfs/dbraw/zinc/26/92/42/179269242.db2.gz XWUHYDYUBWPOEQ-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP CN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000086443083 179293970 /nfs/dbraw/zinc/29/39/70/179293970.db2.gz MGNXOFGGVUWPHE-MNOVXSKESA-N 2 0 280.441 2.010 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH2+]C)CC1 ZINC000086441975 179294232 /nfs/dbraw/zinc/29/42/32/179294232.db2.gz AJMPJEIQNRSSBE-GFCCVEGCSA-N 2 0 294.468 2.272 10 0 CEAERP CC[C@H]1CN(C2CC[NH+](C(C)C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086445390 179295010 /nfs/dbraw/zinc/29/50/10/179295010.db2.gz XLJMXTXEFNJQGJ-GJZGRUSLSA-N 2 0 267.461 2.322 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000086676950 179319575 /nfs/dbraw/zinc/31/95/75/179319575.db2.gz HHTFYRSLWZDIRI-LSDHHAIUSA-N 2 0 255.450 2.024 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cn2ccnc2)C(C)(C)C)CC1 ZINC000086818550 179347591 /nfs/dbraw/zinc/34/75/91/179347591.db2.gz UHSUOMREOKNIMP-CABCVRRESA-N 2 0 278.444 2.372 10 0 CEAERP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818562 179347621 /nfs/dbraw/zinc/34/76/21/179347621.db2.gz JMAAWMPIOYBSJO-OCCSQVGLSA-N 2 0 290.411 2.312 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847585 179356837 /nfs/dbraw/zinc/35/68/37/179356837.db2.gz DSQZPXDGQCHBMV-MRXNPFEDSA-N 2 0 279.428 2.303 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C(C)C)CC1 ZINC000086848122 179356864 /nfs/dbraw/zinc/35/68/64/179356864.db2.gz GBZZSRJFZOWZOW-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848488 179356981 /nfs/dbraw/zinc/35/69/81/179356981.db2.gz OAMYCXQXQNIIJS-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NCCC[NH+]2CCCCC2)CC1 ZINC000086836399 179351899 /nfs/dbraw/zinc/35/18/99/179351899.db2.gz CBSWKZKVRMUTBL-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843353 179353319 /nfs/dbraw/zinc/35/33/19/179353319.db2.gz AOBGCPQRRYTECS-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH+](C(C)C)CC2)C1 ZINC000086840755 179353580 /nfs/dbraw/zinc/35/35/80/179353580.db2.gz NTTDCHSSAMPLGU-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843437 179353682 /nfs/dbraw/zinc/35/36/82/179353682.db2.gz GDVOMOLTJHOFLB-HUUCEWRRSA-N 2 0 265.445 2.076 10 0 CEAERP CC(C)CN(C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846813 179354537 /nfs/dbraw/zinc/35/45/37/179354537.db2.gz RVRNECAUJPFKIX-HNNXBMFYSA-N 2 0 255.450 2.166 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845178 179354842 /nfs/dbraw/zinc/35/48/42/179354842.db2.gz SMDHCUUOOGWJAC-LBPRGKRZSA-N 2 0 282.350 2.418 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)CC1 ZINC000086890711 179366348 /nfs/dbraw/zinc/36/63/48/179366348.db2.gz ZALAAADOGYBXBH-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[C@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086948969 179368855 /nfs/dbraw/zinc/36/88/55/179368855.db2.gz CMCSRRUWEWISIO-JKSUJKDBSA-N 2 0 269.477 2.414 10 0 CEAERP CCOc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH3+])C1)CCC2 ZINC000067674050 362916967 /nfs/dbraw/zinc/91/69/67/362916967.db2.gz VJTKSHKDMKGJJJ-CYBMUJFWSA-N 2 0 274.408 2.355 10 0 CEAERP CC[NH+]1CCC(C[NH2+]CCOc2ccc(OC)cc2)CC1 ZINC000088400504 179593062 /nfs/dbraw/zinc/59/30/62/179593062.db2.gz JKKQOLZCYOVXIA-UHFFFAOYSA-N 2 0 292.423 2.396 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000104191032 185923095 /nfs/dbraw/zinc/92/30/95/185923095.db2.gz OWLSBSJBGNPHSJ-OAHLLOKOSA-N 2 0 267.392 2.017 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1F ZINC000400490712 233179502 /nfs/dbraw/zinc/17/95/02/233179502.db2.gz ZCZRBSBTLNGJGW-GMXVVIOVSA-N 2 0 266.360 2.483 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342603 233176537 /nfs/dbraw/zinc/17/65/37/233176537.db2.gz JDXFSBWLHGIFLG-CGTJXYLNSA-N 2 0 287.451 2.239 10 0 CEAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400398969 233177487 /nfs/dbraw/zinc/17/74/87/233177487.db2.gz PYDZVELLGLSLBD-BPUTZDHNSA-N 2 0 261.413 2.019 10 0 CEAERP CC1CCC([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000089576796 179822936 /nfs/dbraw/zinc/82/29/36/179822936.db2.gz QRQDBNOTNRCKEK-SJJHQCBESA-N 2 0 279.472 2.310 10 0 CEAERP C([C@@H]1CCCCO1)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694376 180026466 /nfs/dbraw/zinc/02/64/66/180026466.db2.gz IGPHHXDNZWBKHR-LSDHHAIUSA-N 2 0 252.402 2.020 10 0 CEAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894306 180055878 /nfs/dbraw/zinc/05/58/78/180055878.db2.gz YXPMSTRAOSCRPN-CABCVRRESA-N 2 0 278.371 2.333 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897476 180057000 /nfs/dbraw/zinc/05/70/00/180057000.db2.gz RKUPLMGRVSBCJK-RHSMWYFYSA-N 2 0 286.419 2.372 10 0 CEAERP CC1CCC([C@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905845 180060694 /nfs/dbraw/zinc/06/06/94/180060694.db2.gz YRUYHZSLKYJHIQ-PCGVCOGMSA-N 2 0 252.402 2.003 10 0 CEAERP CCC[C@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000669377127 539758410 /nfs/dbraw/zinc/75/84/10/539758410.db2.gz HAIZILGNUQAUAD-MRXNPFEDSA-N 2 0 276.424 2.389 10 0 CEAERP C(C[N@@H+]1CCC[C@@H]1C1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000091314039 180133489 /nfs/dbraw/zinc/13/34/89/180133489.db2.gz PDWAZYLSBCDYOA-HUUCEWRRSA-N 2 0 252.402 2.020 10 0 CEAERP CCCC1CCN([C@@H](C[NH3+])CC(=O)N(CC)CC)CC1 ZINC000091322873 180134535 /nfs/dbraw/zinc/13/45/35/180134535.db2.gz FACNPTUMJQSIBW-OAHLLOKOSA-N 2 0 283.460 2.084 10 0 CEAERP CCCc1c(C[NH2+]CC(C)C)cnn1CC[NH+](C)C ZINC000091338544 180136576 /nfs/dbraw/zinc/13/65/76/180136576.db2.gz CJOHMMKBHLBOII-UHFFFAOYSA-N 2 0 266.433 2.143 10 0 CEAERP CC(C)[NH+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362319 180141693 /nfs/dbraw/zinc/14/16/93/180141693.db2.gz TVXYBHJJPGJWCY-ULQDDVLXSA-N 2 0 279.472 2.323 10 0 CEAERP C[N@@H+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1(C)C ZINC000091362848 180142327 /nfs/dbraw/zinc/14/23/27/180142327.db2.gz BMNDVZTYQRTPRA-JYJNAYRXSA-N 2 0 279.472 2.323 10 0 CEAERP COc1ccc(C[NH+]2CCC(C[NH3+])(SC)CC2)cc1F ZINC000091473022 180165488 /nfs/dbraw/zinc/16/54/88/180165488.db2.gz GXNVJTFWXMQNAZ-UHFFFAOYSA-N 2 0 298.427 2.491 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](C)CC2CC(O)C2)CCC[C@@H](C)C1 ZINC000091498655 180174247 /nfs/dbraw/zinc/17/42/47/180174247.db2.gz AUUBWBGXJAQJPB-LMPOIIKSSA-N 2 0 268.445 2.105 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392583 180144857 /nfs/dbraw/zinc/14/48/57/180144857.db2.gz LHPIDLRRPFHETE-RYQLBKOJSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091391753 180145078 /nfs/dbraw/zinc/14/50/78/180145078.db2.gz DVWSLSLVDJRSKH-JONQDZQNSA-N 2 0 267.461 2.179 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091393131 180145628 /nfs/dbraw/zinc/14/56/28/180145628.db2.gz BAEXMSWSIPTBGV-CJNGLKHVSA-N 2 0 291.439 2.241 10 0 CEAERP COc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393577 180145648 /nfs/dbraw/zinc/14/56/48/180145648.db2.gz RXPMIUPKMZEXPL-KMFMINBZSA-N 2 0 291.439 2.110 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393613 180145708 /nfs/dbraw/zinc/14/57/08/180145708.db2.gz ZWTQRHBKXRAZFG-IRXDYDNUSA-N 2 0 275.440 2.275 10 0 CEAERP C[C@@H]1CC[C@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000091394428 180146049 /nfs/dbraw/zinc/14/60/49/180146049.db2.gz KVKSGTWLAYFXSX-UGUYLWEFSA-N 2 0 267.461 2.166 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C2(C[NH3+])CCCCCCC2)C1 ZINC000091395214 180146512 /nfs/dbraw/zinc/14/65/12/180146512.db2.gz DNTZDKUSKYMXOU-OAHLLOKOSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[C@H]([NH+](C)C)C1 ZINC000091404951 180147230 /nfs/dbraw/zinc/14/72/30/180147230.db2.gz OEEHGWLFKLARAD-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000091404503 180147369 /nfs/dbraw/zinc/14/73/69/180147369.db2.gz TXADSTRAWVWJEP-HNNXBMFYSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH+]1CCN(CC(C)(C)[C@@H](C)[NH2+]CC)CC1 ZINC000091402262 180147429 /nfs/dbraw/zinc/14/74/29/180147429.db2.gz CQEDKNBQWXVRRJ-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)CN(CC[NH+](C)C)CC(C)C ZINC000091403266 180147553 /nfs/dbraw/zinc/14/75/53/180147553.db2.gz CHEKEFFJFJHMNW-AWEZNQCLSA-N 2 0 257.466 2.140 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CC2CC2)CC1 ZINC000091404509 180147613 /nfs/dbraw/zinc/14/76/13/180147613.db2.gz IQHGOACCDBNUBP-CQSZACIVSA-N 2 0 267.461 2.038 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427795 180152106 /nfs/dbraw/zinc/15/21/06/180152106.db2.gz PKHPWYHXLSLBPV-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)[C@](C)(CC)[C@@H](O)Cc1c[nH+]ccc1N ZINC000091573031 180196131 /nfs/dbraw/zinc/19/61/31/180196131.db2.gz WLZCJYWXMMEHFB-LSDHHAIUSA-N 2 0 265.401 2.078 10 0 CEAERP CC(C)C[NH2+]CC[C@](C)(O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091521034 180178054 /nfs/dbraw/zinc/17/80/54/180178054.db2.gz GHIQCMGRJCZTQF-HOTGVXAUSA-N 2 0 262.397 2.218 10 0 CEAERP CC(C)(C)[NH2+]CC[C@](C)(O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091523053 180178414 /nfs/dbraw/zinc/17/84/14/180178414.db2.gz UHPRTQNJHIEBEO-HOCLYGCPSA-N 2 0 262.397 2.360 10 0 CEAERP CC[NH+](CC)CC[C@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091714246 180231752 /nfs/dbraw/zinc/23/17/52/180231752.db2.gz DSSSBSDZPYFEPA-AWEZNQCLSA-N 2 0 280.412 2.342 10 0 CEAERP CC[N@H+](Cc1nc(C)c(C)o1)C1CCC([NH3+])CC1 ZINC000091850852 180272454 /nfs/dbraw/zinc/27/24/54/180272454.db2.gz IBLRWXQOLBYRQA-UHFFFAOYSA-N 2 0 251.374 2.383 10 0 CEAERP CC[N@H+](C[C@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850702 180272051 /nfs/dbraw/zinc/27/20/51/180272051.db2.gz RDUAWTATLUAIAT-GPANFISMSA-N 2 0 262.397 2.312 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000091870543 180276886 /nfs/dbraw/zinc/27/68/86/180276886.db2.gz DXSYUXNNDPWIMD-WUCCLRPBSA-N 2 0 254.418 2.406 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N[C@@H](C)CC)CC1 ZINC000091870102 180277083 /nfs/dbraw/zinc/27/70/83/180277083.db2.gz MUENMPUMKKULIO-NFOMZHRRSA-N 2 0 283.460 2.144 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCn2ccnc2C)CC1 ZINC000091870462 180277113 /nfs/dbraw/zinc/27/71/13/180277113.db2.gz VAQFGZFTOFWZSJ-UHFFFAOYSA-N 2 0 264.417 2.044 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000091871433 180277454 /nfs/dbraw/zinc/27/74/54/180277454.db2.gz KSJVTXXRWSTEDV-UHFFFAOYSA-N 2 0 276.380 2.378 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000091870095 180277509 /nfs/dbraw/zinc/27/75/09/180277509.db2.gz DGWWFSFUNIJZAX-FHERZECASA-N 2 0 297.487 2.390 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@H]2COC3(CCCC3)O2)CC1 ZINC000091873135 180277954 /nfs/dbraw/zinc/27/79/54/180277954.db2.gz ALWANPKJBOIJRI-NRXISQOPSA-N 2 0 282.428 2.135 10 0 CEAERP CC(C)[NH2+]Cc1csc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092005055 180305499 /nfs/dbraw/zinc/30/54/99/180305499.db2.gz CJAUQNSKMUBBTQ-KGLIPLIRSA-N 2 0 294.468 2.314 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203690 180343480 /nfs/dbraw/zinc/34/34/80/180343480.db2.gz YUWRYHRQMXUJTJ-CABCVRRESA-N 2 0 287.407 2.370 10 0 CEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1CSc2ccccc21 ZINC000092290793 180357669 /nfs/dbraw/zinc/35/76/69/180357669.db2.gz YBNMVIWWPKFRKN-BHPKHCPMSA-N 2 0 274.433 2.416 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000092300436 180358517 /nfs/dbraw/zinc/35/85/17/180358517.db2.gz OTAQOHZDNPJRGC-AWEZNQCLSA-N 2 0 260.381 2.094 10 0 CEAERP Cc1nn(-c2cc[nH+]cc2)c(C)c1CC[NH2+]C(C)C ZINC000092321788 180362496 /nfs/dbraw/zinc/36/24/96/180362496.db2.gz MWMMVNFVZGNXQJ-UHFFFAOYSA-N 2 0 258.369 2.425 10 0 CEAERP CCc1nn(-c2cc[nH+]cc2)c(CC)c1CC[NH2+]C ZINC000092321760 180362503 /nfs/dbraw/zinc/36/25/03/180362503.db2.gz AONKHKSLUIVQFZ-UHFFFAOYSA-N 2 0 258.369 2.154 10 0 CEAERP C[N@H+](Cc1cc(Cl)ccn1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000092417349 180380948 /nfs/dbraw/zinc/38/09/48/180380948.db2.gz DNVMTALDCJHNCM-ZWNOBZJWSA-N 2 0 253.777 2.294 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(NC)cc[nH+]2)CC1 ZINC000092419010 180381792 /nfs/dbraw/zinc/38/17/92/180381792.db2.gz XWRXUVWTWJZYTJ-ZDUSSCGKSA-N 2 0 262.401 2.039 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000092419414 180382531 /nfs/dbraw/zinc/38/25/31/180382531.db2.gz ZQIBLJKASZAWGC-OAHLLOKOSA-N 2 0 262.401 2.039 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000109496059 186256901 /nfs/dbraw/zinc/25/69/01/186256901.db2.gz MQIGBJAMLSZEFX-DGCLKSJQSA-N 2 0 268.405 2.041 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000109604120 186267955 /nfs/dbraw/zinc/26/79/55/186267955.db2.gz ZBCMTCSYUHVJGJ-AWEZNQCLSA-N 2 0 294.370 2.202 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C[C@@]2(CC)CCC[NH2+]C2)C1 ZINC000110370759 186294057 /nfs/dbraw/zinc/29/40/57/186294057.db2.gz WJGIPPACIPIWNL-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H]1CN([C@@H](c2cccs2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704079 186314136 /nfs/dbraw/zinc/31/41/36/186314136.db2.gz CTZFNKMFNGYGIV-YRGRVCCFSA-N 2 0 267.442 2.162 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cc(C)sc2C)C[C@@H]1C ZINC000110708573 186314321 /nfs/dbraw/zinc/31/43/21/186314321.db2.gz LKLJXEZMQYRHRR-NHYWBVRUSA-N 2 0 281.469 2.391 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704651 186314735 /nfs/dbraw/zinc/31/47/35/186314735.db2.gz GQMPDXLOUSKUNO-HOCLYGCPSA-N 2 0 275.440 2.409 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716979 186316735 /nfs/dbraw/zinc/31/67/35/186316735.db2.gz KRRDBCNVXRLJJO-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@@H+]1CCN(C[C@@](C)(C[NH2+]C)c2ccccc2)C[C@@H]1C ZINC000110745688 186319602 /nfs/dbraw/zinc/31/96/02/186319602.db2.gz JEOZRDRPJILDOK-FUHWJXTLSA-N 2 0 289.467 2.190 10 0 CEAERP CC[NH2+]CC1(CN2CC[N@H+](C)C(C)(C)C2)CCCC1 ZINC000110747145 186319885 /nfs/dbraw/zinc/31/98/85/186319885.db2.gz HOERQPAQXSSLMR-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCN(Cc2c3ccccc3oc2C[NH3+])CC1(C)C ZINC000110754613 186320451 /nfs/dbraw/zinc/32/04/51/186320451.db2.gz RTTXJXAMAVVQOT-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP CN(CCC[NH+](C)C)Cc1ccccc1C[NH2+]C1CC1 ZINC000111150061 186360516 /nfs/dbraw/zinc/36/05/16/186360516.db2.gz PFLKPYGFDMDPIE-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP Cc1oc(CN(C)CCC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000111150275 186360533 /nfs/dbraw/zinc/36/05/33/186360533.db2.gz YAMFSENFTOUJMD-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP CC(C)CC[C@@H](C)[NH2+]CCN(C)CCC[NH+](C)C ZINC000111150831 186360877 /nfs/dbraw/zinc/36/08/77/186360877.db2.gz CDBAKYBJEBOIAJ-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000111149675 186361181 /nfs/dbraw/zinc/36/11/81/186361181.db2.gz MTKHTSYPUNQYNF-CYBMUJFWSA-N 2 0 292.427 2.382 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131157 186355835 /nfs/dbraw/zinc/35/58/35/186355835.db2.gz OKHALBQTSRZFQH-JKSUJKDBSA-N 2 0 281.419 2.488 10 0 CEAERP CC(C)Oc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133282 186355858 /nfs/dbraw/zinc/35/58/58/186355858.db2.gz CDDYSXRIQCPHRW-QGZVFWFLSA-N 2 0 293.455 2.357 10 0 CEAERP C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CC[NH+](C)C)C1 ZINC000111132453 186355978 /nfs/dbraw/zinc/35/59/78/186355978.db2.gz BIOCJZXENDPPHT-ZFWWWQNUSA-N 2 0 255.450 2.024 10 0 CEAERP C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000111133345 186356024 /nfs/dbraw/zinc/35/60/24/186356024.db2.gz UBPXFSCPQRKCMU-GOEBONIOSA-N 2 0 269.477 2.414 10 0 CEAERP C[C@@H](C[C@H](C[NH3+])N(C)CCC[NH+](C)C)c1ccccc1 ZINC000111133836 186356384 /nfs/dbraw/zinc/35/63/84/186356384.db2.gz LUSKKICALJYROO-DOTOQJQBSA-N 2 0 277.456 2.391 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000111130124 186356705 /nfs/dbraw/zinc/35/67/05/186356705.db2.gz MQIFITJKQQJXNT-JOYOIKCWSA-N 2 0 275.849 2.283 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000111131337 186356721 /nfs/dbraw/zinc/35/67/21/186356721.db2.gz HYWYIPORNUQANH-YPMHNXCESA-N 2 0 255.431 2.020 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccc(C)cc1C ZINC000111135691 186358048 /nfs/dbraw/zinc/35/80/48/186358048.db2.gz QPZJIFSORAIGLN-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136333 186358086 /nfs/dbraw/zinc/35/80/86/186358086.db2.gz YVOYOEFCVHQOKK-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111147743 186359101 /nfs/dbraw/zinc/35/91/01/186359101.db2.gz BUHBGRQQPLTAOM-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)(C)C)CN(C)CC[NH+](C)C ZINC000111146957 186359555 /nfs/dbraw/zinc/35/95/55/186359555.db2.gz HFGJBIDTGQZXME-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N(C)CCC[NH+](C)C)n1 ZINC000111149392 186359661 /nfs/dbraw/zinc/35/96/61/186359661.db2.gz KAHIDLGRIFPNMU-UHFFFAOYSA-N 2 0 278.444 2.215 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)CN(C)CCC[NH+](C)C ZINC000111147534 186359665 /nfs/dbraw/zinc/35/96/65/186359665.db2.gz YTARXZGKHCYODY-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N(C)CCC[NH+](C)C ZINC000111150261 186359977 /nfs/dbraw/zinc/35/99/77/186359977.db2.gz VLKXYRFIUGJVBC-OAHLLOKOSA-N 2 0 257.466 2.140 10 0 CEAERP CC[C@]1(C[N@H+](C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111179318 186366579 /nfs/dbraw/zinc/36/65/79/186366579.db2.gz QXSORKVTOFXBFF-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)C(C)C)CCCOC1 ZINC000111323991 186396578 /nfs/dbraw/zinc/39/65/78/186396578.db2.gz BTPHUANLFSQAMZ-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP COCC[N@H+](CC(C)C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326498 186398837 /nfs/dbraw/zinc/39/88/37/186398837.db2.gz SZYBHZYSSLNDHK-KRWDZBQOSA-N 2 0 298.471 2.140 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2ccc(CC[NH3+])cc2)C1 ZINC000111482572 186422743 /nfs/dbraw/zinc/42/27/43/186422743.db2.gz VCFAIYWESHXBLJ-INIZCTEOSA-N 2 0 261.413 2.108 10 0 CEAERP C[NH+](C)CCOc1cccc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000133682393 366246493 /nfs/dbraw/zinc/24/64/93/366246493.db2.gz DOQGCGVJMNHPMO-CQSZACIVSA-N 2 0 277.412 2.181 10 0 CEAERP CC(C)[NH+](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000578062607 366437133 /nfs/dbraw/zinc/43/71/33/366437133.db2.gz ADQPLBWDYMJZRL-GJZGRUSLSA-N 2 0 255.450 2.083 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)[C@]2(C)CCCC[NH2+]2)([NH+](C)C)C1 ZINC000136204364 366503632 /nfs/dbraw/zinc/50/36/32/366503632.db2.gz OCDSOJSSSXACRG-HYVNUMGLSA-N 2 0 295.471 2.145 10 0 CEAERP [NH3+]C1CCC([NH2+][C@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000333160181 283413228 /nfs/dbraw/zinc/41/32/28/283413228.db2.gz NTJZXOIRUCCUOV-BACDZXNISA-N 2 0 291.414 2.131 10 0 CEAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151280877 366637190 /nfs/dbraw/zinc/63/71/90/366637190.db2.gz WKJOALNNKRORAT-HFTRVMKXSA-N 2 0 288.435 2.356 10 0 CEAERP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400724675 299305225 /nfs/dbraw/zinc/30/52/25/299305225.db2.gz PCZDTKFJDCDELI-ZNMIVQPWSA-N 2 0 277.412 2.004 10 0 CEAERP [NH3+]CC1CC[NH+](CCc2c[nH]c3ccccc23)CC1 ZINC000027996781 361665139 /nfs/dbraw/zinc/66/51/39/361665139.db2.gz GLUCUZLJEZLPKA-UHFFFAOYSA-N 2 0 257.381 2.381 10 0 CEAERP c1n[nH]cc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680145308 541371744 /nfs/dbraw/zinc/37/17/44/541371744.db2.gz NUFJRHYRQLGBAE-BZSNNMDCSA-N 2 0 296.418 2.410 10 0 CEAERP Cc1cccc(NC[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178982740 368318049 /nfs/dbraw/zinc/31/80/49/368318049.db2.gz RPJIBFHLEFGALJ-MRXNPFEDSA-N 3 0 288.439 2.123 10 0 CEAERP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449723 296122257 /nfs/dbraw/zinc/12/22/57/296122257.db2.gz OKLAYQCNADKQFT-CABCVRRESA-N 2 0 267.461 2.229 10 0 CEAERP c1cc2c(cc1CN1CC[N@@H+]3CCCC[C@@H]3C1)C[NH2+]CC2 ZINC000211869144 370164757 /nfs/dbraw/zinc/16/47/57/370164757.db2.gz OGKUDRFZNNBNNO-GOSISDBHSA-N 2 0 285.435 2.002 10 0 CEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705471 371707359 /nfs/dbraw/zinc/70/73/59/371707359.db2.gz CXCABVWRVHHJQO-NVXWUHKLSA-N 3 0 288.439 2.123 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@@H]12 ZINC000261658569 371696124 /nfs/dbraw/zinc/69/61/24/371696124.db2.gz YWERCUJDMZJNLB-NILFDRSVSA-N 2 0 280.799 2.388 10 0 CEAERP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000261803673 371738440 /nfs/dbraw/zinc/73/84/40/371738440.db2.gz HEKFGXAKBXSLJD-LSDHHAIUSA-N 2 0 282.428 2.088 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@@H]12 ZINC000261844827 371748441 /nfs/dbraw/zinc/74/84/41/371748441.db2.gz WBETWCVKQSJNIF-IACUBPJLSA-N 2 0 282.334 2.457 10 0 CEAERP C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456969 373126801 /nfs/dbraw/zinc/12/68/01/373126801.db2.gz KXMUMPRFORGTFT-PMPSAXMXSA-N 2 0 267.461 2.229 10 0 CEAERP C[C@H](C[NH2+]C1CC1)[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000093070643 184645911 /nfs/dbraw/zinc/64/59/11/184645911.db2.gz GMKOWBMREDGNSF-VYDXJSESSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+]C[C@@H](C)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000093070694 184646086 /nfs/dbraw/zinc/64/60/86/184646086.db2.gz UAEODOLHNZUXKG-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1F ZINC000400490713 533171876 /nfs/dbraw/zinc/17/18/76/533171876.db2.gz ZCZRBSBTLNGJGW-GVXVVHGQSA-N 2 0 266.360 2.483 10 0 CEAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093472005 184680773 /nfs/dbraw/zinc/68/07/73/184680773.db2.gz BUNZXZICFKKVDX-IXDOHACOSA-N 3 0 279.472 2.229 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093472154 184680997 /nfs/dbraw/zinc/68/09/97/184680997.db2.gz QXKORTGBHQPETK-MTERUZRBSA-N 3 0 265.445 2.157 10 0 CEAERP COC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093472086 184681084 /nfs/dbraw/zinc/68/10/84/184681084.db2.gz UZIHRSVDGAWDIY-APIJFGDWSA-N 2 0 254.418 2.169 10 0 CEAERP [NH3+]C[C@]1(N2CCC[N@@H+]3CCC[C@@H]3C2)CCC[C@@H](C2CC2)C1 ZINC000081642022 177835002 /nfs/dbraw/zinc/83/50/02/177835002.db2.gz DVZGCLATVYGECB-KURKYZTESA-N 2 0 291.483 2.454 10 0 CEAERP C(C1CCN(C[C@@H]2CCCCC[NH2+]2)CC1)[NH+]1CCCC1 ZINC000081038839 177758677 /nfs/dbraw/zinc/75/86/77/177758677.db2.gz HVZYQCMABKVRAK-KRWDZBQOSA-N 2 0 279.472 2.326 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080994395 177750459 /nfs/dbraw/zinc/75/04/59/177750459.db2.gz WATKSTPCMCZNLN-HNNXBMFYSA-N 2 0 275.396 2.219 10 0 CEAERP CCC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCCCCC1 ZINC000093584090 184692305 /nfs/dbraw/zinc/69/23/05/184692305.db2.gz MVOMLPNHXBRXDR-RDJZCZTQSA-N 2 0 295.471 2.276 10 0 CEAERP C[NH2+][C@@H]1[C@@H](CN2CCC[C@H]([NH+](C)C)C2)CCCC1(C)C ZINC000094288933 184776073 /nfs/dbraw/zinc/77/60/73/184776073.db2.gz LENUCWXQIXUIAL-OWCLPIDISA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H]1[C@H](C[N@@H+]2CCCC[C@@H]2CCO)C(C)(C)OC1(C)C ZINC000094427595 184796628 /nfs/dbraw/zinc/79/66/28/184796628.db2.gz IBPCMPLZLLYWPQ-QLFBSQMISA-N 2 0 298.471 2.015 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000089482657 135059213 /nfs/dbraw/zinc/05/92/13/135059213.db2.gz ZCDLUZOGHSZJSB-LSDHHAIUSA-N 2 0 291.414 2.323 10 0 CEAERP CC[C@H]([NH3+])Cc1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091430364 135069881 /nfs/dbraw/zinc/06/98/81/135069881.db2.gz SJPHKVVRQJBBNM-HOTGVXAUSA-N 2 0 275.440 2.497 10 0 CEAERP Cc1cc(N2CCC([N@H+](C)CCO)CC2)c2ccccc2[nH+]1 ZINC000272187568 135102018 /nfs/dbraw/zinc/10/20/18/135102018.db2.gz KIDSRGMHRVDHLV-UHFFFAOYSA-N 2 0 299.418 2.436 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000261561860 286388927 /nfs/dbraw/zinc/38/89/27/286388927.db2.gz GCBDUZIRPHEOIE-YIYPIFLZSA-N 2 0 254.418 2.297 10 0 CEAERP c1csc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979781 165268920 /nfs/dbraw/zinc/26/89/20/165268920.db2.gz JNHINVGZIWIMDZ-CYBMUJFWSA-N 2 0 265.426 2.322 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N2CCCCCCC2)CC1 ZINC000020265336 171122789 /nfs/dbraw/zinc/12/27/89/171122789.db2.gz AORLLJLQPVYBBH-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000020315934 171146408 /nfs/dbraw/zinc/14/64/08/171146408.db2.gz FGGZBUVXJKNPOC-KGLIPLIRSA-N 2 0 285.476 2.390 10 0 CEAERP Cc1ccc(OC[C@H](CC[NH3+])[NH+]2CCCC2)c(C)c1 ZINC000020402077 171182353 /nfs/dbraw/zinc/18/23/53/171182353.db2.gz OTQHNOAFPFZANW-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP CCCCCC[C@@](C)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020520453 171233927 /nfs/dbraw/zinc/23/39/27/171233927.db2.gz IUEQAMGFAQIVGK-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP [NH3+]Cc1ccc(NC(=O)CCC[NH+]2CCCCC2)cc1 ZINC000022169099 171367120 /nfs/dbraw/zinc/36/71/20/171367120.db2.gz FZRLQJSDCGFZOP-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP CC[NH+]1CCN(C[C@H]([NH3+])c2c(C)cc(C)cc2C)CC1 ZINC000022563154 171390990 /nfs/dbraw/zinc/39/09/90/171390990.db2.gz SZPKXUQPWWJACG-INIZCTEOSA-N 2 0 275.440 2.249 10 0 CEAERP CC(C)=CC[NH+]1CCC(NCC[NH+]2CCCC2)CC1 ZINC000037228702 173048968 /nfs/dbraw/zinc/04/89/68/173048968.db2.gz CPYOXMWCTPQYSU-UHFFFAOYSA-N 2 0 265.445 2.102 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccncc1 ZINC000037491933 173232787 /nfs/dbraw/zinc/23/27/87/173232787.db2.gz KYQJDXAJVIKZLF-HNNXBMFYSA-N 2 0 261.413 2.478 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccncc1 ZINC000037491932 173232953 /nfs/dbraw/zinc/23/29/53/173232953.db2.gz KYQJDXAJVIKZLF-OAHLLOKOSA-N 2 0 261.413 2.478 10 0 CEAERP CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CCO1 ZINC000261610391 287283230 /nfs/dbraw/zinc/28/32/30/287283230.db2.gz BEPHWAYVPBQGII-BFHYXJOUSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)(C)[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693966 174377913 /nfs/dbraw/zinc/37/79/13/174377913.db2.gz OPJVOJHCWUTXEO-HNNXBMFYSA-N 2 0 267.461 2.310 10 0 CEAERP CCN(C1CC[NH+](C(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747485 174392487 /nfs/dbraw/zinc/39/24/87/174392487.db2.gz BOFQTLJMTDDFBP-FKEKPDDDSA-N 2 0 279.472 2.464 10 0 CEAERP Cc1cccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750136 174395351 /nfs/dbraw/zinc/39/53/51/174395351.db2.gz PQOVHWOEDOJKGV-GOOCMWNKSA-N 2 0 260.381 2.328 10 0 CEAERP CC(C)[C@@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000041156471 174500786 /nfs/dbraw/zinc/50/07/86/174500786.db2.gz FRPQSTBFDFBBNJ-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP COc1ccc(Cl)cc1[C@@H](C[NH3+])CC[NH+](C)C ZINC000041327453 174523985 /nfs/dbraw/zinc/52/39/85/174523985.db2.gz BWTXDFOVPRFIEH-SNVBAGLBSA-N 2 0 256.777 2.343 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000042615570 174828839 /nfs/dbraw/zinc/82/88/39/174828839.db2.gz XMRDLTHNAOJFGS-CQSZACIVSA-N 2 0 281.469 2.472 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](C(C)C)CC2)c1C ZINC000043314682 175004551 /nfs/dbraw/zinc/00/45/51/175004551.db2.gz YKKJFEKVOYEVMJ-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CC[NH+](C)C)CC(C)C ZINC000043341175 175014947 /nfs/dbraw/zinc/01/49/47/175014947.db2.gz CUBRQQIRYIOYPJ-NVXWUHKLSA-N 2 0 292.471 2.380 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354132 175021712 /nfs/dbraw/zinc/02/17/12/175021712.db2.gz CGNHOZPHMHQCDI-HZPDHXFCSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC([NH+](C)C)CC1 ZINC000043364377 175024487 /nfs/dbraw/zinc/02/44/87/175024487.db2.gz MHRKMSCZEQDLDT-ZBFHGGJFSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC([NH+](C)C)CC1 ZINC000043364376 175024990 /nfs/dbraw/zinc/02/49/90/175024990.db2.gz MHRKMSCZEQDLDT-HOCLYGCPSA-N 2 0 279.428 2.392 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806113 175108045 /nfs/dbraw/zinc/10/80/45/175108045.db2.gz XOXNLNWXRFOBSM-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806180 175108264 /nfs/dbraw/zinc/10/82/64/175108264.db2.gz DELGLRDPIYATRC-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043810485 175109305 /nfs/dbraw/zinc/10/93/05/175109305.db2.gz RPQSNACILJWWJI-AWDGRILASA-N 2 0 291.483 2.038 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C(C)C)cc1 ZINC000043810582 175109605 /nfs/dbraw/zinc/10/96/05/175109605.db2.gz UZUPXQSIJGHWEX-QGZVFWFLSA-N 2 0 275.440 2.318 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815459 175112385 /nfs/dbraw/zinc/11/23/85/175112385.db2.gz OTWBFLYSHLSLPJ-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818532 175113916 /nfs/dbraw/zinc/11/39/16/175113916.db2.gz DLAXFWGAKYGDHE-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897239 175119996 /nfs/dbraw/zinc/11/99/96/175119996.db2.gz SOXBNYSVCNHVBE-WMLDXEAASA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043897419 175120558 /nfs/dbraw/zinc/12/05/58/175120558.db2.gz UVKCRXBNRMRPAL-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1CC)OCCO2 ZINC000043904632 175122472 /nfs/dbraw/zinc/12/24/72/175122472.db2.gz KONKTQWTHLKJTI-SOUVJXGZSA-N 2 0 282.428 2.135 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000043965436 175126641 /nfs/dbraw/zinc/12/66/41/175126641.db2.gz TWBUVPDGEUFYGA-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967513 175128643 /nfs/dbraw/zinc/12/86/43/175128643.db2.gz XWKLUVJQDHSXAS-WMLDXEAASA-N 2 0 273.424 2.116 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967850 175129225 /nfs/dbraw/zinc/12/92/25/175129225.db2.gz DYSRLXXKKWSVDD-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967771 175129347 /nfs/dbraw/zinc/12/93/47/175129347.db2.gz DGRNQRPGXQNJKX-DLBZAZTESA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073256 175302860 /nfs/dbraw/zinc/30/28/60/175302860.db2.gz ZRNNDKIDIJSTHT-XHSDSOJGSA-N 2 0 266.429 2.408 10 0 CEAERP CC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135377 175312543 /nfs/dbraw/zinc/31/25/43/175312543.db2.gz QJUBFWXXQUNRQH-JYJNAYRXSA-N 2 0 267.461 2.037 10 0 CEAERP C([NH2+]C1CC1)[C@@]1(C[NH+](CC2CC2)CC2CC2)CCOC1 ZINC000070507082 175959602 /nfs/dbraw/zinc/95/96/02/175959602.db2.gz HAPJRQNVQJNPAV-QGZVFWFLSA-N 2 0 278.440 2.267 10 0 CEAERP c1ccc(C[N@H+]2C[C@H](CN[C@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277292 415670188 /nfs/dbraw/zinc/67/01/88/415670188.db2.gz YKSYOXBOQXABPF-ROUUACIJSA-N 2 0 299.462 2.240 10 0 CEAERP c1ccc(C[N@H+]2C[C@@H](CN[C@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277290 415671115 /nfs/dbraw/zinc/67/11/15/415671115.db2.gz YKSYOXBOQXABPF-MSOLQXFVSA-N 2 0 299.462 2.240 10 0 CEAERP CN(CCC[NH+](C)C)c1nc2ccccc2cc1C[NH3+] ZINC000070943316 176015654 /nfs/dbraw/zinc/01/56/54/176015654.db2.gz USAANNVJSQWVQJ-UHFFFAOYSA-N 2 0 272.396 2.081 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@H]2OCCc3ccccc32)CC1 ZINC000071090978 176031143 /nfs/dbraw/zinc/03/11/43/176031143.db2.gz QJMMNAJLNUVWGA-QGZVFWFLSA-N 2 0 274.408 2.232 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124164 176035494 /nfs/dbraw/zinc/03/54/94/176035494.db2.gz MESIQKMBIZHTJN-HRCADAONSA-N 2 0 286.460 2.267 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000071148763 176044607 /nfs/dbraw/zinc/04/46/07/176044607.db2.gz IEGAYEBJMGNPKS-HOTGVXAUSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000071161672 176046436 /nfs/dbraw/zinc/04/64/36/176046436.db2.gz VVDXPDZVMUIMFV-HOTGVXAUSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187859 176062037 /nfs/dbraw/zinc/06/20/37/176062037.db2.gz LAOXRNIQUHAMMB-XYPHTWIQSA-N 2 0 293.430 2.488 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188395 176062448 /nfs/dbraw/zinc/06/24/48/176062448.db2.gz VXAFSUQFHFPTEK-PBHICJAKSA-N 2 0 275.440 2.132 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188139 176062697 /nfs/dbraw/zinc/06/26/97/176062697.db2.gz XHYWZQVXYGIQAM-FMKPAKJESA-N 2 0 279.428 2.250 10 0 CEAERP CC[C@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188213 176062743 /nfs/dbraw/zinc/06/27/43/176062743.db2.gz RXQVDDFLLNQEQT-ZJIFWQFVSA-N 2 0 267.461 2.024 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188774 176064026 /nfs/dbraw/zinc/06/40/26/176064026.db2.gz HNQUNFIVOFQYTE-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP C[NH2+][C@@H](C)c1ccccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189414 176064270 /nfs/dbraw/zinc/06/42/70/176064270.db2.gz PRNDLXBZCIPGKE-UONOGXRCSA-N 2 0 261.413 2.355 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189012 176064820 /nfs/dbraw/zinc/06/48/20/176064820.db2.gz BGOKIQAFQOGVDV-VQHPVUNQSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188986 176064840 /nfs/dbraw/zinc/06/48/40/176064840.db2.gz OVWXUZIFTXXADT-ZMSDIMECSA-N 2 0 275.440 2.219 10 0 CEAERP CCC[C@@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190579 176066782 /nfs/dbraw/zinc/06/67/82/176066782.db2.gz DBCAKVYFWDOSGU-FPCVCCKLSA-N 2 0 268.445 2.200 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191481 176069846 /nfs/dbraw/zinc/06/98/46/176069846.db2.gz GBBAHFDXDUYPFL-CVEARBPZSA-N 2 0 269.477 2.286 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192420 176073849 /nfs/dbraw/zinc/07/38/49/176073849.db2.gz OIUNCPRVIIYHOA-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CCCCC[C@H](C)[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192247 176074049 /nfs/dbraw/zinc/07/40/49/176074049.db2.gz OTCOCGLPFMIKHH-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCC1(C[NH2+]Cc2scnc2C)CC[NH2+]CC1 ZINC000071213770 176085318 /nfs/dbraw/zinc/08/53/18/176085318.db2.gz VFAZJNQGZVZPET-UHFFFAOYSA-N 2 0 253.415 2.321 10 0 CEAERP CCC[NH2+]CCCCCC[N@H+](C)CCC[NH+](C)C ZINC000071290146 176110563 /nfs/dbraw/zinc/11/05/63/176110563.db2.gz OMPMEYALAOLYNG-UHFFFAOYSA-N 3 0 257.466 2.430 10 0 CEAERP CCC[N@H+](CCCCCC[NH2+]CC)CCN(C)C ZINC000071289371 176110684 /nfs/dbraw/zinc/11/06/84/176110684.db2.gz HUCRDCUCGTWWGK-UHFFFAOYSA-N 2 0 257.466 2.430 10 0 CEAERP [NH3+]Cc1cc2ccccc2nc1OCC[NH+]1CCCC1 ZINC000071385921 176147550 /nfs/dbraw/zinc/14/75/50/176147550.db2.gz BXTJCUCCOJOQGN-UHFFFAOYSA-N 2 0 271.364 2.168 10 0 CEAERP COCCC[N@H+](CCC[C@@H]([NH3+])c1ccccc1)CCOC ZINC000071401904 176153955 /nfs/dbraw/zinc/15/39/55/176153955.db2.gz POQQFQHOZNVJJT-QGZVFWFLSA-N 2 0 294.439 2.452 10 0 CEAERP COc1ccc(Cl)cc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076663541 177049853 /nfs/dbraw/zinc/04/98/53/177049853.db2.gz UYTVBJVTHAHREU-JTQLQIEISA-N 2 0 256.777 2.343 10 0 CEAERP C[C@@H](CC[NH3+])CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000079118863 177436911 /nfs/dbraw/zinc/43/69/11/177436911.db2.gz MEDISAGWOKYZMT-OAHLLOKOSA-N 2 0 295.471 2.228 10 0 CEAERP C[C@@H](CC[NH3+])CCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000079194677 177442977 /nfs/dbraw/zinc/44/29/77/177442977.db2.gz KXWVZDWIVDMJAH-CQSZACIVSA-N 3 0 255.450 2.025 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000079237755 177453086 /nfs/dbraw/zinc/45/30/86/177453086.db2.gz BJESPICVLCCWJP-CQSZACIVSA-N 2 0 295.471 2.275 10 0 CEAERP CC[NH+]1CCC(CNC(=O)CC[C@H](CC[NH3+])C(C)C)CC1 ZINC000079278227 177462205 /nfs/dbraw/zinc/46/22/05/177462205.db2.gz HTDVSYQGYILEIQ-MRXNPFEDSA-N 2 0 297.487 2.236 10 0 CEAERP CCC1CCC([N@H+](CCO)C[C@H]2CCC[NH2+]C2)CC1 ZINC000261999468 276221969 /nfs/dbraw/zinc/22/19/69/276221969.db2.gz TZDVSTJHTLYZHR-PCKAHOCUSA-N 2 0 268.445 2.249 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccsc2)CC1 ZINC000179517784 278395360 /nfs/dbraw/zinc/39/53/60/278395360.db2.gz WKJNFMMLIDNJMV-CYBMUJFWSA-N 2 0 282.453 2.273 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000252775088 279323521 /nfs/dbraw/zinc/32/35/21/279323521.db2.gz JYYMZFJPKPVCIS-MAZHCROVSA-N 2 0 259.397 2.205 10 0 CEAERP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246505793 280297772 /nfs/dbraw/zinc/29/77/72/280297772.db2.gz SIXCDIGAVJWVGN-LJIZCISZSA-N 2 0 295.471 2.093 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272848 313086338 /nfs/dbraw/zinc/08/63/38/313086338.db2.gz MZURLLMHXHEIDL-RYRKJORJSA-N 2 0 289.467 2.485 10 0 CEAERP C[C@H](NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204739 314352264 /nfs/dbraw/zinc/35/22/64/314352264.db2.gz DDAUDCZHAZPHQC-UAGQMJEPSA-N 2 0 275.440 2.267 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711762 519720260 /nfs/dbraw/zinc/72/02/60/519720260.db2.gz OICJLWCRSTWHCH-CQSZACIVSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540110 519743231 /nfs/dbraw/zinc/74/32/31/519743231.db2.gz GLKAKDZZRSXVKD-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559445 519858537 /nfs/dbraw/zinc/85/85/37/519858537.db2.gz YNLMSIZZWMTLDD-IKGGRYGDSA-N 2 0 281.488 2.414 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)[C@@H](C)COC)CCOCC1 ZINC000052182330 519909895 /nfs/dbraw/zinc/90/98/95/519909895.db2.gz QSEHKMRFHVVPBT-HNNXBMFYSA-N 2 0 286.460 2.140 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540298 519913371 /nfs/dbraw/zinc/91/33/71/519913371.db2.gz FSNLPHSMRQXNIC-KKUMJFAQSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000052180790 519913196 /nfs/dbraw/zinc/91/31/96/519913196.db2.gz WDCACHYJPCOZBK-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](C)CCOC)c(C)o1 ZINC000052572951 519945474 /nfs/dbraw/zinc/94/54/74/519945474.db2.gz RHBZBDDKGLKSRX-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066156 519987105 /nfs/dbraw/zinc/98/71/05/519987105.db2.gz GDLUDOWBLSIWTP-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]Cc1cn(CC[N@H+](CC)CC(CC)CC)nn1 ZINC000052540678 520012864 /nfs/dbraw/zinc/01/28/64/520012864.db2.gz NSMLAVLGHRDKBU-UHFFFAOYSA-N 2 0 281.448 2.146 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000054560321 520120812 /nfs/dbraw/zinc/12/08/12/520120812.db2.gz LYLZDKCRXVEJHH-QBPKDAKJSA-N 2 0 282.472 2.494 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](CC)Cc1cccs1 ZINC000062741044 520515942 /nfs/dbraw/zinc/51/59/42/520515942.db2.gz MTNDQGOONUTTOQ-LBPRGKRZSA-N 2 0 256.415 2.324 10 0 CEAERP CC[N@H+](CCOC)Cc1ccoc1C[NH2+]C(C)C ZINC000052542693 521135407 /nfs/dbraw/zinc/13/54/07/521135407.db2.gz WXGJFTGEJMBDOM-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000054897678 521567564 /nfs/dbraw/zinc/56/75/64/521567564.db2.gz ZXCOCIJOWNQTMW-JTQLQIEISA-N 2 0 282.457 2.392 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(F)cc1C ZINC000050579219 521658058 /nfs/dbraw/zinc/65/80/58/521658058.db2.gz PZPHESCCCYHPSC-MRXNPFEDSA-N 2 0 281.419 2.408 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C)CC[NH2+]CC(C)C ZINC000052544304 521657365 /nfs/dbraw/zinc/65/73/65/521657365.db2.gz URPYARIKJQUMTK-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400392054 533844545 /nfs/dbraw/zinc/84/45/45/533844545.db2.gz IMIRZMMIJHLIIG-KBPBESRZSA-N 2 0 299.459 2.173 10 0 CEAERP CCc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1C[NH2+]C ZINC000055001498 522385762 /nfs/dbraw/zinc/38/57/62/522385762.db2.gz YFCARCGONRSICV-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)c2cccs2)CC1 ZINC000053382804 517440402 /nfs/dbraw/zinc/44/04/02/517440402.db2.gz HFRLIKTZFHCXGY-CQSZACIVSA-N 2 0 281.469 2.425 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000050953920 518383943 /nfs/dbraw/zinc/38/39/43/518383943.db2.gz IEFXGTQNGPUAPD-JKSUJKDBSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)(C)CC(C)(C)[NH2+]CCN1CCC[NH2+]CC1 ZINC000061275619 518630174 /nfs/dbraw/zinc/63/01/74/518630174.db2.gz RRJFAQGZUMDXBJ-UHFFFAOYSA-N 2 0 255.450 2.086 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000050951970 519614535 /nfs/dbraw/zinc/61/45/35/519614535.db2.gz LOHJIAAHBLBSAV-UHFFFAOYSA-N 2 0 283.460 2.003 10 0 CEAERP CC(C)CC[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655156 519663490 /nfs/dbraw/zinc/66/34/90/519663490.db2.gz GHADSRHQBAUYTE-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000061819070 519669552 /nfs/dbraw/zinc/66/95/52/519669552.db2.gz DIPVHJVJSLCXLB-UHFFFAOYSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061625067 519716727 /nfs/dbraw/zinc/71/67/27/519716727.db2.gz GDXZFDZCYNBHNN-GOSISDBHSA-N 2 0 291.483 2.466 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479524 519724030 /nfs/dbraw/zinc/72/40/30/519724030.db2.gz BQKIOLREAFRCPU-JKSUJKDBSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673641 519725875 /nfs/dbraw/zinc/72/58/75/519725875.db2.gz GMKDMHJULCUCKY-ARFHVFGLSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055076018 519726154 /nfs/dbraw/zinc/72/61/54/519726154.db2.gz DVSNICRNRUTCFW-UHFFFAOYSA-N 2 0 275.440 2.050 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000055077394 519727689 /nfs/dbraw/zinc/72/76/89/519727689.db2.gz WIFHVSVJEVCZAG-RHSMWYFYSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000055078408 519728075 /nfs/dbraw/zinc/72/80/75/519728075.db2.gz SONIWCVVCDRQQN-HOTGVXAUSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655459 519748354 /nfs/dbraw/zinc/74/83/54/519748354.db2.gz MQMQIQMVRFHOJP-CYBMUJFWSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943325 519775146 /nfs/dbraw/zinc/77/51/46/519775146.db2.gz WZEWCSBCJOAWQJ-GJZGRUSLSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC1=[NH+]C(C)(C)CS1 ZINC000049559159 519775750 /nfs/dbraw/zinc/77/57/50/519775750.db2.gz OHRKOZPRFFOGGE-NSHDSACASA-N 2 0 257.447 2.434 10 0 CEAERP CCC1CC[NH+](CCCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000045428348 519859010 /nfs/dbraw/zinc/85/90/10/519859010.db2.gz YPEJKBOAZRXQLG-KRWDZBQOSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@@H]1O ZINC000054628646 519908417 /nfs/dbraw/zinc/90/84/17/519908417.db2.gz ZOUWJTOYNWXVRT-BMRXWSCTSA-N 2 0 266.429 2.285 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)C[NH+](C)C ZINC000054627376 519910663 /nfs/dbraw/zinc/91/06/63/519910663.db2.gz FZPSHLXKXGGODZ-GOOCMWNKSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571715 519918602 /nfs/dbraw/zinc/91/86/02/519918602.db2.gz HIBXIMZEZDTONJ-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417073 519930995 /nfs/dbraw/zinc/93/09/95/519930995.db2.gz DBBKLZIJADQTHR-SFHVURJKSA-N 2 0 289.467 2.438 10 0 CEAERP CCC[NH2+]C[C@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000053012714 519937326 /nfs/dbraw/zinc/93/73/26/519937326.db2.gz ILGGJNJPBGBIBW-OAHLLOKOSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccn1 ZINC000061654174 519948909 /nfs/dbraw/zinc/94/89/09/519948909.db2.gz LECQXHLXYLDKJC-INIZCTEOSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457380 519952086 /nfs/dbraw/zinc/95/20/86/519952086.db2.gz WNRHAEJJTIRMOK-KBPBESRZSA-N 2 0 268.426 2.337 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000062970242 519957660 /nfs/dbraw/zinc/95/76/60/519957660.db2.gz NYUQYERJXFOWJQ-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000052371427 519975581 /nfs/dbraw/zinc/97/55/81/519975581.db2.gz CMXDHDFEXWYTBT-QGZVFWFLSA-N 2 0 273.424 2.117 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccs2)O1 ZINC000052456353 519977100 /nfs/dbraw/zinc/97/71/00/519977100.db2.gz BVKVGVLMPYIJGR-OLZOCXBDSA-N 2 0 268.426 2.337 10 0 CEAERP CCC[NH2+][C@@H](C)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643381 519985196 /nfs/dbraw/zinc/98/51/96/519985196.db2.gz VMAFYDQXRFNLFM-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]Cc1cccc(N2CC[NH+]([C@@H](C)CC)CC2)n1 ZINC000055073525 520003066 /nfs/dbraw/zinc/00/30/66/520003066.db2.gz IRCJIQYVBJNGRJ-AWEZNQCLSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)C2CCN(C)CC2)c1 ZINC000052419808 520003524 /nfs/dbraw/zinc/00/35/24/520003524.db2.gz IOXIUCBMWSPEQB-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052380880 520008134 /nfs/dbraw/zinc/00/81/34/520008134.db2.gz NVBNBQSTLVNZNE-OKILXGFUSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000062971464 520011400 /nfs/dbraw/zinc/01/14/00/520011400.db2.gz ZTDTZDRUHKVOQT-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CCCCC[N@H+](CCn1cc(C[NH2+]CC)nn1)C(C)C ZINC000052544803 520174188 /nfs/dbraw/zinc/17/41/88/520174188.db2.gz JAZWNTRVDXBNHV-UHFFFAOYSA-N 2 0 281.448 2.288 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554616 520217918 /nfs/dbraw/zinc/21/79/18/520217918.db2.gz ZLPNPEDAQXLBNB-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC1(C)CC[NH+](C[C@@H](O)COc2ccccc2C[NH3+])CC1 ZINC000061818795 520377853 /nfs/dbraw/zinc/37/78/53/520377853.db2.gz CWJKPLRSMMKUAQ-OAHLLOKOSA-N 2 0 292.423 2.007 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccc(C)cc1 ZINC000062740786 520516765 /nfs/dbraw/zinc/51/67/65/520516765.db2.gz MEYUAZRFSALBAA-HNNXBMFYSA-N 2 0 250.386 2.181 10 0 CEAERP CC[NH+](CC)CCOc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860377 520698081 /nfs/dbraw/zinc/69/80/81/520698081.db2.gz CNNYQYDJITUVCR-UHFFFAOYSA-N 2 0 269.776 2.345 10 0 CEAERP CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC000069237262 520964235 /nfs/dbraw/zinc/96/42/35/520964235.db2.gz GHJUCKCZJSINPD-LBPRGKRZSA-N 2 0 275.396 2.204 10 0 CEAERP CCC(C)(C)[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000069446804 521300816 /nfs/dbraw/zinc/30/08/16/521300816.db2.gz LYEXCJLDFBNMGT-OAHLLOKOSA-N 2 0 271.449 2.129 10 0 CEAERP CCC(CC)(C[NH2+]C(C)(C)C)C[N@@H+]1CC[C@@H](O)C1 ZINC000061711752 521439164 /nfs/dbraw/zinc/43/91/64/521439164.db2.gz GYWMRLOEGHKUFK-CYBMUJFWSA-N 2 0 256.434 2.248 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062970482 521440325 /nfs/dbraw/zinc/44/03/25/521440325.db2.gz FIYNASXLLSTTDO-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000062999816 521585683 /nfs/dbraw/zinc/58/56/83/521585683.db2.gz PZTOTDDZCSPKQT-YOEHRIQHSA-N 2 0 276.424 2.430 10 0 CEAERP CCC[N@H+](CC1(C[NH2+]CC)CCOCC1)C1CC1 ZINC000052181420 521618518 /nfs/dbraw/zinc/61/85/18/521618518.db2.gz LYQVAORTTMXLTO-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH+]1CCN(C[C@@](C)(CC)C[NH2+]C(C)C)CC1 ZINC000051207764 521685672 /nfs/dbraw/zinc/68/56/72/521685672.db2.gz VKPSGGSBHIEVDF-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000061642010 521843004 /nfs/dbraw/zinc/84/30/04/521843004.db2.gz BHEKJIXVYPQTAO-QWRGUYRKSA-N 2 0 287.860 2.427 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@](C)(C[NH3+])CCc1ccccc1 ZINC000061642977 521873958 /nfs/dbraw/zinc/87/39/58/521873958.db2.gz ONLRNBTUFGKEKH-QZTJIDSGSA-N 2 0 289.467 2.363 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](CC(C)C)C[NH+](C)C ZINC000054628823 521956850 /nfs/dbraw/zinc/95/68/50/521956850.db2.gz LCLFADMOIWEUJM-UYTSQGDYSA-N 2 0 267.461 2.178 10 0 CEAERP C[NH2+]CCC1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000070188773 521985564 /nfs/dbraw/zinc/98/55/64/521985564.db2.gz NTQDKWFNVGZWQY-UHFFFAOYSA-N 2 0 278.396 2.222 10 0 CEAERP C[NH2+]CCCCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702392 521995022 /nfs/dbraw/zinc/99/50/22/521995022.db2.gz KGAFXOKCKXAOBH-MRXNPFEDSA-N 2 0 262.397 2.277 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418220 521998310 /nfs/dbraw/zinc/99/83/10/521998310.db2.gz FCXIVZZOUSFXQX-CQSZACIVSA-N 2 0 279.403 2.336 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000055074718 522124865 /nfs/dbraw/zinc/12/48/65/522124865.db2.gz LYRJHTHJKQVICC-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507702 522133322 /nfs/dbraw/zinc/13/33/22/522133322.db2.gz ACHZZLWDUUQVSL-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453643 522133658 /nfs/dbraw/zinc/13/36/58/522133658.db2.gz TXVJPUWQXJBRIC-AWEZNQCLSA-N 2 0 250.411 2.343 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000055076283 522137501 /nfs/dbraw/zinc/13/75/01/522137501.db2.gz MBDSPEZIRRLFMA-GHMZBOCLSA-N 2 0 282.457 2.392 10 0 CEAERP C[NH2+]Cc1coc(C[N@H+](CCOC)[C@H](C)C2CC2)c1 ZINC000052545400 522148202 /nfs/dbraw/zinc/14/82/02/522148202.db2.gz NDPXHPMLCQYOHV-GFCCVEGCSA-N 2 0 266.385 2.246 10 0 CEAERP C[NH2+]Cc1coc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484224 522148701 /nfs/dbraw/zinc/14/87/01/522148701.db2.gz AJEPTFNZFAYCBX-UHFFFAOYSA-N 2 0 291.439 2.449 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562087 522333240 /nfs/dbraw/zinc/33/32/40/522333240.db2.gz UEKHCRGNBXHSQV-STQMWFEESA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@@H](C)c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054905642 522336662 /nfs/dbraw/zinc/33/66/62/522336662.db2.gz DVTCLZRXGHKLJF-LBPRGKRZSA-N 2 0 294.468 2.488 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977585 522340117 /nfs/dbraw/zinc/34/01/17/522340117.db2.gz ILMJPWYEVLEGHY-ZOBUZTSGSA-N 2 0 288.439 2.030 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963985 522340170 /nfs/dbraw/zinc/34/01/70/522340170.db2.gz WHKVFKGKMYHDEM-YDHLFZDLSA-N 2 0 281.469 2.471 10 0 CEAERP C[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000062970010 522461157 /nfs/dbraw/zinc/46/11/57/522461157.db2.gz BKXKWVZZBKIVNY-JKSUJKDBSA-N 2 0 279.403 2.112 10 0 CEAERP CN(CC[NH2+]CC1CCCCC1)CC[NH+]1CCCC1 ZINC000063054274 522866389 /nfs/dbraw/zinc/86/63/89/522866389.db2.gz UWXWOXMSERFUIC-UHFFFAOYSA-N 2 0 267.461 2.184 10 0 CEAERP C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052346359 523227788 /nfs/dbraw/zinc/22/77/88/523227788.db2.gz QBEVSVZHWVIKQR-KGLIPLIRSA-N 2 0 268.788 2.278 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1)Cc1ccnc(C[NH3+])c1 ZINC000068749602 523252449 /nfs/dbraw/zinc/25/24/49/523252449.db2.gz PXFJQNHAINMMOY-UHFFFAOYSA-N 2 0 259.328 2.311 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@@H+]1C ZINC000068812063 523301461 /nfs/dbraw/zinc/30/14/61/523301461.db2.gz UGVDLAULGDDLHI-GJZGRUSLSA-N 2 0 287.407 2.459 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C[NH2+]C)c1 ZINC000052570856 523342162 /nfs/dbraw/zinc/34/21/62/523342162.db2.gz OJCRSDWERWWEQV-BBRMVZONSA-N 2 0 262.397 2.405 10 0 CEAERP CCn1cc(C[N@H+](CCC[NH3+])C2CCCCC2)cn1 ZINC000050539175 523365254 /nfs/dbraw/zinc/36/52/54/523365254.db2.gz PZNISSWMDIMVOU-UHFFFAOYSA-N 2 0 264.417 2.387 10 0 CEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642537 523367775 /nfs/dbraw/zinc/36/77/75/523367775.db2.gz USWSIGFDDOHJFA-KLHDSHLOSA-N 2 0 267.461 2.166 10 0 CEAERP CC[C@](C)(CO)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062035819 523463557 /nfs/dbraw/zinc/46/35/57/523463557.db2.gz SBRUWUXLAFMKNS-INIZCTEOSA-N 2 0 268.445 2.203 10 0 CEAERP COCC[N@H+]([C@@H](C)CC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545475 523780408 /nfs/dbraw/zinc/78/04/08/523780408.db2.gz GVOOMEFREBTRIA-STQMWFEESA-N 2 0 254.418 2.264 10 0 CEAERP C[NH+]1CCC(Oc2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052907628 523783022 /nfs/dbraw/zinc/78/30/22/523783022.db2.gz PPJQITSYICGAHW-UHFFFAOYSA-N 2 0 267.760 2.097 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000055072427 523954337 /nfs/dbraw/zinc/95/43/37/523954337.db2.gz YWOVBCBHZKTBKE-KBPBESRZSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065439 523955298 /nfs/dbraw/zinc/95/52/98/523955298.db2.gz LNNXBKFBPUPNQC-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625178 523958389 /nfs/dbraw/zinc/95/83/89/523958389.db2.gz XPZZCSJYIXTGGL-FUHWJXTLSA-N 2 0 289.467 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000055064041 523959020 /nfs/dbraw/zinc/95/90/20/523959020.db2.gz SDBKNVAAEVDFKH-UONOGXRCSA-N 2 0 281.469 2.472 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063763 523959326 /nfs/dbraw/zinc/95/93/26/523959326.db2.gz XYWINYJDFLLRBJ-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075909 524003740 /nfs/dbraw/zinc/00/37/40/524003740.db2.gz CYKROUVJHSLXJH-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023303 524049911 /nfs/dbraw/zinc/04/99/11/524049911.db2.gz SEHRGNKIMKQCHJ-INIZCTEOSA-N 3 0 288.439 2.327 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016910 524049946 /nfs/dbraw/zinc/04/99/46/524049946.db2.gz BLRKMXHVEPXSME-KRWDZBQOSA-N 3 0 275.440 2.350 10 0 CEAERP C[NH+](C)CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000045697617 524052727 /nfs/dbraw/zinc/05/27/27/524052727.db2.gz NGHQGJFGOVNBAD-AWEZNQCLSA-N 2 0 270.804 2.305 10 0 CEAERP Cc1cc(C)c(C(N)=S)c(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000049560172 524247114 /nfs/dbraw/zinc/24/71/14/524247114.db2.gz MVWKHSVVNCOLBD-SNVBAGLBSA-N 2 0 280.441 2.085 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]CCCOc1ccccc1 ZINC000061815748 524474489 /nfs/dbraw/zinc/47/44/89/524474489.db2.gz WQFOMOBJQCMRDL-AWEZNQCLSA-N 2 0 250.386 2.385 10 0 CEAERP C[C@H]([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000070315486 524832729 /nfs/dbraw/zinc/83/27/29/524832729.db2.gz BXLQVHGYBCHEEU-ZDUSSCGKSA-N 2 0 275.396 2.348 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CCC[C@@H]1C[NH+](C)C ZINC000061642188 524854244 /nfs/dbraw/zinc/85/42/44/524854244.db2.gz QDZGLMZLXZSXTL-WOSRLPQWSA-N 2 0 279.403 2.240 10 0 CEAERP COc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641933 525381486 /nfs/dbraw/zinc/38/14/86/525381486.db2.gz QXXZADYBFPODKV-LXZKKBNFSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643532 526020524 /nfs/dbraw/zinc/02/05/24/526020524.db2.gz WSHBTVQHIKOEQX-FVQBIDKESA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642807 526104759 /nfs/dbraw/zinc/10/47/59/526104759.db2.gz PYDCMHBZMMPLFG-OIISXLGYSA-N 2 0 275.440 2.143 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055125532 526248281 /nfs/dbraw/zinc/24/82/81/526248281.db2.gz NOTCOXKWTPGCSE-JYJNAYRXSA-N 2 0 295.471 2.275 10 0 CEAERP Cc1csc2nc(C)c(C[NH2+]C3CCC([NH3+])CC3)n12 ZINC000051694104 526451726 /nfs/dbraw/zinc/45/17/26/526451726.db2.gz ZNKLSVZPDCEBAC-UHFFFAOYSA-N 2 0 278.425 2.372 10 0 CEAERP c1csc(CC[NH2+]CCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062974570 526577406 /nfs/dbraw/zinc/57/74/06/526577406.db2.gz ZDRIWIVIWBEYMT-OAHLLOKOSA-N 2 0 293.480 2.050 10 0 CEAERP Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH2+]C(C)C ZINC000054998287 526951532 /nfs/dbraw/zinc/95/15/32/526951532.db2.gz GPQHWANVFGQQCC-CYBMUJFWSA-N 2 0 296.484 2.480 10 0 CEAERP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000052758460 527253242 /nfs/dbraw/zinc/25/32/42/527253242.db2.gz VSONPLQREYPMNK-CQSZACIVSA-N 2 0 266.360 2.021 10 0 CEAERP [NH3+]Cc1ccc(F)cc1C[N@H+](CCO)C1CCCCC1 ZINC000069401415 527254812 /nfs/dbraw/zinc/25/48/12/527254812.db2.gz JPFIYIYTBOYGFM-UHFFFAOYSA-N 2 0 280.387 2.411 10 0 CEAERP [NH3+]Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702140 527260252 /nfs/dbraw/zinc/26/02/52/527260252.db2.gz RQHHSHCVTGVSSP-INIZCTEOSA-N 2 0 283.375 2.194 10 0 CEAERP Nc1[nH+]c2cc(F)ccc2n1CC[NH+]1CCCCC1 ZINC000049575354 527560765 /nfs/dbraw/zinc/56/07/65/527560765.db2.gz SKFSNSYMJWIZHC-UHFFFAOYSA-N 2 0 262.332 2.244 10 0 CEAERP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000087535234 535341728 /nfs/dbraw/zinc/34/17/28/535341728.db2.gz WTUSSZBLCLIJBK-INIZCTEOSA-N 2 0 275.440 2.492 10 0 CEAERP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCC2)cc1 ZINC000399678192 574420802 /nfs/dbraw/zinc/42/08/02/574420802.db2.gz VVMXFOVWHCQZBP-DFNIBXOVSA-N 2 0 299.462 2.192 10 0 CEAERP C1C[C@H]2CC3(C[C@@H]1[NH2+]2)[NH2+]C1(CCCCC1)CCO3 ZINC000757146150 574510397 /nfs/dbraw/zinc/51/03/97/574510397.db2.gz JOAFTGJJDXXQNZ-NNQSOWQGSA-N 2 0 250.386 2.310 10 0 CEAERP CO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000308378479 623676050 /nfs/dbraw/zinc/67/60/50/623676050.db2.gz UZFQSJVYXMFYBN-CHWSQXEVSA-N 2 0 254.418 2.121 10 0 CEAERP C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]C1 ZINC000051919595 624695540 /nfs/dbraw/zinc/69/55/40/624695540.db2.gz XPPTWZJWKDCAFZ-KKUMJFAQSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH2+]C2CCC([NH3+])CC2)(N(C)C)C1 ZINC000094088113 628756134 /nfs/dbraw/zinc/75/61/34/628756134.db2.gz QFLDVRIBIRKTGT-PRLABOORSA-N 2 0 267.461 2.356 10 0 CEAERP [NH3+]CCCCN1CC[NH+](C2CCCCCC2)CC1 ZINC000082556426 178094114 /nfs/dbraw/zinc/09/41/14/178094114.db2.gz AWEMEGUNTDNCQN-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412802 539030914 /nfs/dbraw/zinc/03/09/14/539030914.db2.gz HBLSKSBLZIPFTE-SRXPKIRMSA-N 2 0 266.429 2.095 10 0 CEAERP CCN1CCO[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC000122434498 539163765 /nfs/dbraw/zinc/16/37/65/539163765.db2.gz DASYIUKHBICCAM-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123948833 539179631 /nfs/dbraw/zinc/17/96/31/539179631.db2.gz YAFJVZSSYLXNBE-ZWKOTPCHSA-N 2 0 286.419 2.476 10 0 CEAERP CC(C)(C)OC(=O)C1(C[NH3+])CC[NH+](C(C)(C)C)CC1 ZINC000725243925 539190892 /nfs/dbraw/zinc/19/08/92/539190892.db2.gz BGNVIIRQLBIKNE-UHFFFAOYSA-N 2 0 270.417 2.168 10 0 CEAERP Cc1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000336720593 365784363 /nfs/dbraw/zinc/78/43/63/365784363.db2.gz UILGGJYAAXGFCG-KRWDZBQOSA-N 2 0 298.434 2.340 10 0 CEAERP C[C@H]1CN(CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235680339 344591959 /nfs/dbraw/zinc/59/19/59/344591959.db2.gz OSYQOEHKLMLQCU-FZMZJTMJSA-N 2 0 268.788 2.388 10 0 CEAERP CC(C)C[NH+]1CCN(CCC2([NH3+])CCCCC2)CC1 ZINC000084188849 178821679 /nfs/dbraw/zinc/82/16/79/178821679.db2.gz WAVDJRXNXRACQE-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@H]1CCC[N@@H+]1CCCC[C@@](C)(CO)[NH2+]C1CC1 ZINC000085215460 178979079 /nfs/dbraw/zinc/97/90/79/178979079.db2.gz HZLPJNCIPKGQEN-ZFWWWQNUSA-N 2 0 254.418 2.144 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCC[NH+]1CCC(CC)CC1 ZINC000085260800 178991621 /nfs/dbraw/zinc/99/16/21/178991621.db2.gz YPZAWMGQNUZRRM-OAHLLOKOSA-N 2 0 256.434 2.249 10 0 CEAERP CC(C)(CC[NH+]1CCN(c2ccccc2)CC1)C(N)=[NH2+] ZINC000087593344 535028332 /nfs/dbraw/zinc/02/83/32/535028332.db2.gz MBAPIEVQISKAGV-UHFFFAOYSA-N 2 0 274.412 2.161 10 0 CEAERP C[NH2+]CCc1ccc(C[N@@H+]2CCS[C@H](C)C2)cc1 ZINC000097806969 185670222 /nfs/dbraw/zinc/67/02/22/185670222.db2.gz PYQKRGIJGVTKMX-CYBMUJFWSA-N 2 0 264.438 2.386 10 0 CEAERP CC(C)c1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573032 179097921 /nfs/dbraw/zinc/09/79/21/179097921.db2.gz VXIUCKASGVNDOV-ZDUSSCGKSA-N 2 0 274.412 2.061 10 0 CEAERP C[C@@H](CC[NH+](C)C)n1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085573466 179098762 /nfs/dbraw/zinc/09/87/62/179098762.db2.gz KTQFWHCYSVEEQE-LBPRGKRZSA-N 2 0 278.444 2.339 10 0 CEAERP C[NH+](C)C(C)(C)Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085574087 179099734 /nfs/dbraw/zinc/09/97/34/179099734.db2.gz SZGONFRQSBTOSK-UHFFFAOYSA-N 2 0 278.444 2.167 10 0 CEAERP C(C1CCOCC1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612732 179102624 /nfs/dbraw/zinc/10/26/24/179102624.db2.gz CHLADMBVVARUAX-UHFFFAOYSA-N 2 0 252.402 2.021 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085623377 179105440 /nfs/dbraw/zinc/10/54/40/179105440.db2.gz VQEIUJLLVQAQFJ-KBPBESRZSA-N 2 0 252.402 2.020 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086152514 179240982 /nfs/dbraw/zinc/24/09/82/179240982.db2.gz WBWGRBALPNLNLJ-LEUOFYLZSA-N 2 0 293.499 2.425 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182771 179247504 /nfs/dbraw/zinc/24/75/04/179247504.db2.gz CCFHMDCFNKMITC-GVDBMIGSSA-N 2 0 293.499 2.425 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173701 179244211 /nfs/dbraw/zinc/24/42/11/179244211.db2.gz QQPPEAIKAZMYBL-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086173268 179244351 /nfs/dbraw/zinc/24/43/51/179244351.db2.gz ZCIOUAGEKKHBMC-VGWMRTNUSA-N 2 0 269.477 2.425 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C(C)C)NC[C@@H]2C)CC1 ZINC000086173694 179244711 /nfs/dbraw/zinc/24/47/11/179244711.db2.gz JVEAOPOKGVOLFJ-HOCLYGCPSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH+]1CCC(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086173175 179244997 /nfs/dbraw/zinc/24/49/97/179244997.db2.gz QHBRIFDADILKFT-GOEBONIOSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1CN[C@@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174319 179246005 /nfs/dbraw/zinc/24/60/05/179246005.db2.gz DHLDPFQEXONBIR-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217749 179249793 /nfs/dbraw/zinc/24/97/93/179249793.db2.gz KDSDVBJJHMXMNZ-WBVHZDCISA-N 2 0 275.440 2.147 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1CCC[NH+](C)C ZINC000086217781 179249919 /nfs/dbraw/zinc/24/99/19/179249919.db2.gz IWDZIDORVNWPAD-GJZGRUSLSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223064 179250576 /nfs/dbraw/zinc/25/05/76/179250576.db2.gz NFJAGYOXHOXUAL-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223094 179250596 /nfs/dbraw/zinc/25/05/96/179250596.db2.gz OUPMFZNXFDWWRO-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223018 179251278 /nfs/dbraw/zinc/25/12/78/179251278.db2.gz NDESTCBSEFKPDJ-USXIJHARSA-N 2 0 279.472 2.037 10 0 CEAERP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223987 179252851 /nfs/dbraw/zinc/25/28/51/179252851.db2.gz MGPTTXKCUUSMIR-JQHSSLGASA-N 2 0 287.451 2.290 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224022 179253172 /nfs/dbraw/zinc/25/31/72/179253172.db2.gz NZYRDGAJAQXFBV-OWCLPIDISA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CC3(CCCC3)NC[C@@H]2C)CC1 ZINC000086259175 179258187 /nfs/dbraw/zinc/25/81/87/179258187.db2.gz RSLCPQBEDIJJCL-HNNXBMFYSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259261 179258506 /nfs/dbraw/zinc/25/85/06/179258506.db2.gz NMODZGHGFFQCMW-KFWWJZLASA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086288664 179264338 /nfs/dbraw/zinc/26/43/38/179264338.db2.gz GRYZHYVUWIYECD-ARFHVFGLSA-N 2 0 267.461 2.038 10 0 CEAERP COCCCC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291736 179266663 /nfs/dbraw/zinc/26/66/63/179266663.db2.gz RHCMKBHXNCFHTK-UHFFFAOYSA-N 2 0 254.418 2.411 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291564 179266830 /nfs/dbraw/zinc/26/68/30/179266830.db2.gz WVLJDNWROQIARW-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CCC1(CC)C[N@@H+]([C@@H]2CCC[C@@H]2OC)CCC[NH2+]1 ZINC000086293597 179267817 /nfs/dbraw/zinc/26/78/17/179267817.db2.gz PHDBOCQQZVTNPJ-KGLIPLIRSA-N 2 0 254.418 2.408 10 0 CEAERP [NH3+][C@H]1CCCc2sc(N3CC[NH+](CC4CC4)CC3)nc21 ZINC000086443940 179294114 /nfs/dbraw/zinc/29/41/14/179294114.db2.gz PFOKDZUZWUYMLU-LBPRGKRZSA-N 2 0 292.452 2.011 10 0 CEAERP CC(C)Cn1c2ccc(C[NH3+])cc2nc1CC[NH+](C)C ZINC000086641697 179315120 /nfs/dbraw/zinc/31/51/20/179315120.db2.gz GMPACNZIWAGUMO-UHFFFAOYSA-N 2 0 274.412 2.255 10 0 CEAERP CCc1ccc(N(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819515 179348245 /nfs/dbraw/zinc/34/82/45/179348245.db2.gz ZMLJITLSYATCEU-KRWDZBQOSA-N 2 0 275.440 2.498 10 0 CEAERP CCN(c1cccc(F)c1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819496 179348867 /nfs/dbraw/zinc/34/88/67/179348867.db2.gz JDIAPHXFSHSZCO-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[NH+](C)CC1 ZINC000086817117 179345463 /nfs/dbraw/zinc/34/54/63/179345463.db2.gz ONEXODOGBROHIK-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847137 179355994 /nfs/dbraw/zinc/35/59/94/179355994.db2.gz GPLHQCASCGMYPX-KRWDZBQOSA-N 2 0 290.455 2.107 10 0 CEAERP CCOC1CCN([C@@]2(C[NH3+])CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086847419 179356579 /nfs/dbraw/zinc/35/65/79/179356579.db2.gz UDFMOQSOTAQCIN-KRWDZBQOSA-N 2 0 297.487 2.079 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC000086848268 179356653 /nfs/dbraw/zinc/35/66/53/179356653.db2.gz ICYLQQCSIBPIJC-NVXWUHKLSA-N 2 0 297.487 2.078 10 0 CEAERP CCN(C1CCCC1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847024 179357003 /nfs/dbraw/zinc/35/70/03/179357003.db2.gz FOMZQTVUBKSBFL-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)[C@@H](CN(C)C)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842876 179353173 /nfs/dbraw/zinc/35/31/73/179353173.db2.gz BZFFZXPRRGSJGU-HZPDHXFCSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840515 179353446 /nfs/dbraw/zinc/35/34/46/179353446.db2.gz MWZBLUXOTOQWFV-GJZGRUSLSA-N 2 0 264.417 2.126 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840838 179353920 /nfs/dbraw/zinc/35/39/20/179353920.db2.gz ONZGTFALTIAYJF-JKSUJKDBSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843374 179353983 /nfs/dbraw/zinc/35/39/83/179353983.db2.gz MBLXNIIGMBEILQ-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2nccs2)CC1 ZINC000086844780 179354468 /nfs/dbraw/zinc/35/44/68/179354468.db2.gz QICJLMQPMRYTPF-LBPRGKRZSA-N 2 0 253.415 2.150 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC)C2CC2)CC1 ZINC000086846684 179354597 /nfs/dbraw/zinc/35/45/97/179354597.db2.gz UBPIRUXRSRFWQY-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC(C)C)CC1 ZINC000086846824 179355323 /nfs/dbraw/zinc/35/53/23/179355323.db2.gz GHZOOZFKWUAKBY-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846135 179355561 /nfs/dbraw/zinc/35/55/61/179355561.db2.gz NLXBATPBSAKLKI-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[N@@H+]1CCC[C@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849628 179358191 /nfs/dbraw/zinc/35/81/91/179358191.db2.gz PHQZYBXMAHTVEZ-MRXNPFEDSA-N 2 0 281.444 2.027 10 0 CEAERP CC(C)[NH+]1CCN([C@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890705 179366168 /nfs/dbraw/zinc/36/61/68/179366168.db2.gz XNUVWRVDFYMQAB-JKSUJKDBSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952102 179368543 /nfs/dbraw/zinc/36/85/43/179368543.db2.gz PROHLWCQSMQSRC-CVEARBPZSA-N 2 0 268.445 2.393 10 0 CEAERP CC(C)[C@@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950406 179368988 /nfs/dbraw/zinc/36/89/88/179368988.db2.gz DMDVTWTUACRDFH-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000087050259 179388891 /nfs/dbraw/zinc/38/88/91/179388891.db2.gz DOPNDSUTLRZCEP-YCPHGPKFSA-N 2 0 268.445 2.248 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C)C2)CC1 ZINC000087049533 179388997 /nfs/dbraw/zinc/38/89/97/179388997.db2.gz XWCDJLUIYAISSX-ZFWWWQNUSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[C@H](CNC(=O)CCC(C)(C)CC[NH3+])[NH+](C)C ZINC000087699230 179472685 /nfs/dbraw/zinc/47/26/85/179472685.db2.gz AEACBVRKMPYVNB-CQSZACIVSA-N 2 0 285.476 2.234 10 0 CEAERP CC(C)[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104198133 185927099 /nfs/dbraw/zinc/92/70/99/185927099.db2.gz FEOJUFUVTMGMAJ-HOTGVXAUSA-N 2 0 263.429 2.204 10 0 CEAERP C[C@H](NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753362 233181084 /nfs/dbraw/zinc/18/10/84/233181084.db2.gz WGVJDUNCFSRJLO-RYQLBKOJSA-N 2 0 287.451 2.239 10 0 CEAERP CCC[NH2+]C[C@H]1CCCN(CC[NH+](CC)CC)C1 ZINC000104413018 185992503 /nfs/dbraw/zinc/99/25/03/185992503.db2.gz BKZSGFHYXLZGPM-OAHLLOKOSA-N 2 0 255.450 2.040 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCOc2ccccc21 ZINC000090329970 179961061 /nfs/dbraw/zinc/96/10/61/179961061.db2.gz DMGWGYOHKMVHRN-DTZQCDIJSA-N 2 0 272.392 2.440 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566292 180005718 /nfs/dbraw/zinc/00/57/18/180005718.db2.gz VLNSRHMWYOIWKJ-DLBZAZTESA-N 2 0 276.424 2.441 10 0 CEAERP c1nc(CC[NH2+]CCCC2CC[NH2+]CC2)cs1 ZINC000104445042 186005205 /nfs/dbraw/zinc/00/52/05/186005205.db2.gz ZTFCXHBIOPMTPY-UHFFFAOYSA-N 2 0 253.415 2.055 10 0 CEAERP CCC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876224 180051082 /nfs/dbraw/zinc/05/10/82/180051082.db2.gz FKWUNNJFUUBHAY-INIZCTEOSA-N 2 0 274.408 2.454 10 0 CEAERP c1ccc2c(c1)C[C@H](C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)O2 ZINC000090876244 180051255 /nfs/dbraw/zinc/05/12/55/180051255.db2.gz YGMYKWXHIFLLKS-IAGOWNOFSA-N 2 0 286.419 2.454 10 0 CEAERP [NH3+]CCC[C@H]1CCC[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090877565 180051644 /nfs/dbraw/zinc/05/16/44/180051644.db2.gz XNPOBHRYJPGFCM-GJZGRUSLSA-N 2 0 260.381 2.193 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893514 180055226 /nfs/dbraw/zinc/05/52/26/180055226.db2.gz VORZUMMGCYBXGX-OAHLLOKOSA-N 2 0 278.371 2.061 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894359 180055734 /nfs/dbraw/zinc/05/57/34/180055734.db2.gz RILHZJYCZXZHTK-AEGPPILISA-N 2 0 290.382 2.059 10 0 CEAERP CC1(C)CC[NH+](Cc2csc(CC[NH3+])n2)CC1 ZINC000090958554 180075109 /nfs/dbraw/zinc/07/51/09/180075109.db2.gz SJIHJLROEIEHIJ-UHFFFAOYSA-N 2 0 253.415 2.266 10 0 CEAERP c1c(C[NH2+]C2CC2)c2cccnc2n1CC[NH+]1CCCC1 ZINC000091020823 180088315 /nfs/dbraw/zinc/08/83/15/180088315.db2.gz URHPQROMORNAOL-UHFFFAOYSA-N 2 0 284.407 2.384 10 0 CEAERP CCCC1CCN([C@H](C[NH3+])CC(=O)N(CC)CC)CC1 ZINC000091322872 180134717 /nfs/dbraw/zinc/13/47/17/180134717.db2.gz FACNPTUMJQSIBW-HNNXBMFYSA-N 2 0 283.460 2.084 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362837 180142684 /nfs/dbraw/zinc/14/26/84/180142684.db2.gz NCVZLLBEFHVCDG-QAETUUGQSA-N 2 0 279.472 2.181 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000091429167 180153180 /nfs/dbraw/zinc/15/31/80/180153180.db2.gz DTLNHGJHCSUKFE-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP CN(C)[C@@H]1CCC[N@H+](CCCC(C)(C)CC[NH3+])C1 ZINC000091392428 180144891 /nfs/dbraw/zinc/14/48/91/180144891.db2.gz MJJUYLFQOCYOEV-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP CCC1CCC(C[NH3+])(N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000091393059 180145796 /nfs/dbraw/zinc/14/57/96/180145796.db2.gz JXHLGAVVFBBRLW-HWOWSKLDSA-N 2 0 267.461 2.310 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091394401 180146058 /nfs/dbraw/zinc/14/60/58/180146058.db2.gz BLUYVAZQHVDSHV-YDHLFZDLSA-N 2 0 281.469 2.471 10 0 CEAERP CCCC1(C[N@@H+]2CCC[C@H](N(C)C)C2)CC[NH2+]CC1 ZINC000091395114 180146704 /nfs/dbraw/zinc/14/67/04/180146704.db2.gz AXZBCQBGTQYCRT-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@](C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091602054 180203264 /nfs/dbraw/zinc/20/32/64/180203264.db2.gz SBHQDRLKHWGMHE-OAHLLOKOSA-N 2 0 261.369 2.040 10 0 CEAERP CC[C@@](C)([C@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608557 180205183 /nfs/dbraw/zinc/20/51/83/180205183.db2.gz CGTKBMWBUZIQIS-CVEARBPZSA-N 2 0 277.412 2.222 10 0 CEAERP CC[C@](C)([C@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608558 180205637 /nfs/dbraw/zinc/20/56/37/180205637.db2.gz CGTKBMWBUZIQIS-HZPDHXFCSA-N 2 0 277.412 2.222 10 0 CEAERP CCC1(CC)CSC(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)=[NH+]1 ZINC000091675474 180225130 /nfs/dbraw/zinc/22/51/30/180225130.db2.gz IJNCXQJHPBZPFO-CHWSQXEVSA-N 2 0 297.468 2.101 10 0 CEAERP CCN[C@@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716486 180232555 /nfs/dbraw/zinc/23/25/55/180232555.db2.gz KGBMAWWKRYKAND-AWEZNQCLSA-N 2 0 250.390 2.046 10 0 CEAERP CCC[N@H+]([C@@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091851419 180273108 /nfs/dbraw/zinc/27/31/08/180273108.db2.gz JGJKUMHNAOKIBT-UYSNPLJNSA-N 2 0 267.461 2.451 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268923 /nfs/dbraw/zinc/26/89/23/180268923.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 3 0 267.461 2.451 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCOCC(F)(F)F)CC1 ZINC000091870386 180277235 /nfs/dbraw/zinc/27/72/35/180277235.db2.gz FIUSQHKOBXVPCI-UHFFFAOYSA-N 2 0 282.350 2.418 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000091871019 180277237 /nfs/dbraw/zinc/27/72/37/180277237.db2.gz ZLFDWPOEYOWACD-OZEOOWDWSA-N 3 0 265.445 2.074 10 0 CEAERP CCCCNC(=O)C[N@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870084 180277370 /nfs/dbraw/zinc/27/73/70/180277370.db2.gz AUMKVUOHUUNDFE-UHFFFAOYSA-N 2 0 283.460 2.145 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCOCC(F)(F)F)CC1 ZINC000091870638 180277535 /nfs/dbraw/zinc/27/75/35/180277535.db2.gz SFYOMJZSUKXZMK-UHFFFAOYSA-N 2 0 268.323 2.028 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2c(C)nn(C)c2Cl)CC1 ZINC000091872886 180278264 /nfs/dbraw/zinc/27/82/64/180278264.db2.gz CKSWGXVNCCOHHN-UHFFFAOYSA-N 2 0 284.835 2.344 10 0 CEAERP CCC[NH+]1CCC(O)([C@@]2(C[NH3+])CC[C@H](CC)C2)CC1 ZINC000091906356 180284257 /nfs/dbraw/zinc/28/42/57/180284257.db2.gz WYUUTMTWKWLTCO-GJZGRUSLSA-N 2 0 268.445 2.379 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(C2(O)CC[NH+](CC)CC2)C1 ZINC000091906324 180284262 /nfs/dbraw/zinc/28/42/62/180284262.db2.gz UZVUMUDVECCQDF-CABCVRRESA-N 2 0 268.445 2.379 10 0 CEAERP C[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091922424 180286723 /nfs/dbraw/zinc/28/67/23/180286723.db2.gz WLTIKUVWBJUVFN-OAHLLOKOSA-N 2 0 254.418 2.133 10 0 CEAERP Cc1ccc(O)c(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000091994891 180301094 /nfs/dbraw/zinc/30/10/94/180301094.db2.gz BSPROIHWMJHBEL-AGUYFDCRSA-N 2 0 275.396 2.058 10 0 CEAERP C[C@H]1C[NH+](CCCC(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000092082050 180319898 /nfs/dbraw/zinc/31/98/98/180319898.db2.gz JMNXXPZEOATMSG-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088679 180321508 /nfs/dbraw/zinc/32/15/08/180321508.db2.gz IWAZNXZOBGRNJF-GASCZTMLSA-N 2 0 268.445 2.369 10 0 CEAERP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092304500 180360227 /nfs/dbraw/zinc/36/02/27/180360227.db2.gz JJQBRQPOHPTZJD-ZIAGYGMSSA-N 2 0 260.381 2.366 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CSc3ccccc32)C1 ZINC000092290509 180357812 /nfs/dbraw/zinc/35/78/12/180357812.db2.gz XDIDTKFTWVIZCB-QWHCGFSZSA-N 2 0 262.422 2.417 10 0 CEAERP Cc1cc(NS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)cc[nH+]1 ZINC000092364746 180368178 /nfs/dbraw/zinc/36/81/78/180368178.db2.gz SIUOSEAJTPFDLV-LLVKDONJSA-N 2 0 291.376 2.211 10 0 CEAERP C[NH2+]CC1CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC000092417175 180381362 /nfs/dbraw/zinc/38/13/62/180381362.db2.gz WRMRKMCLKRZTTF-UHFFFAOYSA-N 2 0 253.777 2.166 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)C[C@@H]1C ZINC000107907005 186197816 /nfs/dbraw/zinc/19/78/16/186197816.db2.gz KGAAPMCQUADUAM-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000092627916 180419145 /nfs/dbraw/zinc/41/91/45/180419145.db2.gz VWKTVCMNBSZVOO-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP CCC[NH2+][C@@H]1C(=O)Nc2cc(-n3ccnc3CC)ccc21 ZINC000109573065 186263381 /nfs/dbraw/zinc/26/33/81/186263381.db2.gz DCIGSJDVAQZXOU-HNNXBMFYSA-N 2 0 284.363 2.428 10 0 CEAERP CCC[NH2+][C@H]1C(=O)Nc2cc(-n3ccnc3CC)ccc21 ZINC000109573062 186263724 /nfs/dbraw/zinc/26/37/24/186263724.db2.gz DCIGSJDVAQZXOU-OAHLLOKOSA-N 2 0 284.363 2.428 10 0 CEAERP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cnc(C)c3C)ccc21 ZINC000109573174 186263843 /nfs/dbraw/zinc/26/38/43/186263843.db2.gz HPOQEHXOVKVRAN-AWEZNQCLSA-N 2 0 270.336 2.092 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1[C@@H](CC[NH3+])c1ccccc1 ZINC000109604155 186267380 /nfs/dbraw/zinc/26/73/80/186267380.db2.gz MTINICOKYCEVRE-HOTGVXAUSA-N 2 0 290.407 2.494 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH3+])c1 ZINC000109604110 186267673 /nfs/dbraw/zinc/26/76/73/186267673.db2.gz IQFWQAKTEMMGDY-OAHLLOKOSA-N 2 0 276.380 2.063 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000109603744 186268187 /nfs/dbraw/zinc/26/81/87/186268187.db2.gz LTDIKSBDTPQELM-CVEARBPZSA-N 2 0 290.407 2.352 10 0 CEAERP Cc1ccc(C[NH+]2CCN(C(C)(C)C[NH3+])CC2)cc1C ZINC000109465170 186253951 /nfs/dbraw/zinc/25/39/51/186253951.db2.gz FTNRGJLKEULCOM-UHFFFAOYSA-N 2 0 275.440 2.158 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)C[C@@H]1C ZINC000110702826 186314606 /nfs/dbraw/zinc/31/46/06/186314606.db2.gz RCFTWQDQJAWOSK-WFASDCNBSA-N 2 0 281.831 2.366 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)c(C)c2)CC[N@@H+]1C ZINC000110710141 186316082 /nfs/dbraw/zinc/31/60/82/186316082.db2.gz OKSVPHYTXRWTFD-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000110741938 186319572 /nfs/dbraw/zinc/31/95/72/186319572.db2.gz XKEKXHBWXXRLOS-HOTGVXAUSA-N 2 0 289.423 2.019 10 0 CEAERP C[C@@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC[N@@H+]1C ZINC000110751624 186319702 /nfs/dbraw/zinc/31/97/02/186319702.db2.gz ZJEVKSHXKWJVJX-CYBMUJFWSA-N 2 0 279.428 2.304 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110757282 186319734 /nfs/dbraw/zinc/31/97/34/186319734.db2.gz BGQSKYLSIZQEKC-ZFWWWQNUSA-N 2 0 255.450 2.179 10 0 CEAERP CN(CC[NH+](C)C)Cc1c2ccccc2sc1C[NH3+] ZINC000111149966 186360769 /nfs/dbraw/zinc/36/07/69/186360769.db2.gz KNSZXTLQTSCPIM-UHFFFAOYSA-N 2 0 277.437 2.353 10 0 CEAERP CCC[NH2+]Cc1sc(N(C)CCC[NH+](C)C)nc1C ZINC000111151991 186361179 /nfs/dbraw/zinc/36/11/79/186361179.db2.gz JCUCAUZSDGSTRN-UHFFFAOYSA-N 2 0 284.473 2.339 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)CC[NH+](C)C ZINC000111129477 186355842 /nfs/dbraw/zinc/35/58/42/186355842.db2.gz MVRHGQIVDRWRCQ-AAEUAGOBSA-N 2 0 255.431 2.020 10 0 CEAERP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133612 186356653 /nfs/dbraw/zinc/35/66/53/186356653.db2.gz OVODXBNUFSZEOM-GOEBONIOSA-N 2 0 263.429 2.001 10 0 CEAERP C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135441 186357828 /nfs/dbraw/zinc/35/78/28/186357828.db2.gz ALZPSPKRKPNMGJ-KURKYZTESA-N 2 0 289.467 2.404 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N(C)CCC[NH+](C)C ZINC000111135969 186357924 /nfs/dbraw/zinc/35/79/24/186357924.db2.gz HBKAROUHMCLFEV-CABCVRRESA-N 2 0 257.466 2.427 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccccc1C ZINC000111134288 186358015 /nfs/dbraw/zinc/35/80/15/186358015.db2.gz URITXJLZFOGGTO-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP C[NH+](C)CCC[N@H+](C)C[C@@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111143708 186358999 /nfs/dbraw/zinc/35/89/99/186358999.db2.gz MAHYBLNNRCCTMF-AWDGRILASA-N 2 0 294.483 2.447 10 0 CEAERP C[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172691 186365426 /nfs/dbraw/zinc/36/54/26/186365426.db2.gz MZIXGOHHNFXBMX-GJZGRUSLSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH2+]C[C@]1(C[NH+]2CCC(C)CC2)CCCOC1 ZINC000111323611 186397869 /nfs/dbraw/zinc/39/78/69/186397869.db2.gz TVPZCTZWXPTXPG-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP COCC[N@H+](C[C@]1(C[NH2+]CC(C)C)CCCOC1)C1CC1 ZINC000111327250 186398032 /nfs/dbraw/zinc/39/80/32/186398032.db2.gz IACCAVWUYMNDED-QGZVFWFLSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@H+](C[C@@]1(C[NH3+])CCCOC1)C1CCCCCC1 ZINC000111325837 186398195 /nfs/dbraw/zinc/39/81/95/186398195.db2.gz CSHBGPYNVACCSP-HNNXBMFYSA-N 2 0 254.418 2.397 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326081 186398311 /nfs/dbraw/zinc/39/83/11/186398311.db2.gz LSSHTCYQQCGZAC-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326076 186398685 /nfs/dbraw/zinc/39/86/85/186398685.db2.gz FQDKUUPGGAELOK-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[N@H+](C)C[C@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324794 186399299 /nfs/dbraw/zinc/39/92/99/186399299.db2.gz AHMVGNKRUADUBA-OAHLLOKOSA-N 2 0 256.434 2.371 10 0 CEAERP [NH3+]C[C@]1(C[N@@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329304 186399501 /nfs/dbraw/zinc/39/95/01/186399501.db2.gz AGYWEGRXHYPYTQ-KRWDZBQOSA-N 2 0 274.408 2.190 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](C)CC2CCOCC2)CCCOC1 ZINC000111329938 186399592 /nfs/dbraw/zinc/39/95/92/186399592.db2.gz ZZKFXCWZBRAQQH-QGZVFWFLSA-N 2 0 298.471 2.141 10 0 CEAERP CN(CC[NH+]1CCCC1)c1cccc(Cl)c1CC[NH3+] ZINC000111482362 186422438 /nfs/dbraw/zinc/42/24/38/186422438.db2.gz OJWHZPFOHDHEFO-UHFFFAOYSA-N 2 0 281.831 2.373 10 0 CEAERP CCC[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)CCC)CC1 ZINC000111696228 186445635 /nfs/dbraw/zinc/44/56/35/186445635.db2.gz SKNMWYPYXDUKTH-HUUCEWRRSA-N 2 0 297.487 2.391 10 0 CEAERP C[C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000070145012 363037182 /nfs/dbraw/zinc/03/71/82/363037182.db2.gz ITENVVWXTWJWCX-YJBOKZPZSA-N 2 0 287.451 2.320 10 0 CEAERP [NH3+]CCCC[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000575438938 366287383 /nfs/dbraw/zinc/28/73/83/366287383.db2.gz HFZNOUDQFTVZKD-SNVBAGLBSA-N 2 0 273.174 2.284 10 0 CEAERP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000388991226 540336487 /nfs/dbraw/zinc/33/64/87/540336487.db2.gz CFHRZHYNFXGBIV-BZUAXINKSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832315 299280331 /nfs/dbraw/zinc/28/03/31/299280331.db2.gz HVRQGHJISCIEMC-SZMVWBNQSA-N 2 0 287.451 2.239 10 0 CEAERP CN(c1ccncc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094272623 364264070 /nfs/dbraw/zinc/26/40/70/364264070.db2.gz IGJFIMRRPLOTRG-ZACCUICWSA-N 2 0 251.761 2.454 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000116399426 365054209 /nfs/dbraw/zinc/05/42/09/365054209.db2.gz WOFSURYALIQSOD-CYBMUJFWSA-N 2 0 279.384 2.036 10 0 CEAERP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837691 367577413 /nfs/dbraw/zinc/57/74/13/367577413.db2.gz WFIHSTUJTNAMJS-NEPJUHHUSA-N 2 0 268.401 2.444 10 0 CEAERP C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000631841175 367582553 /nfs/dbraw/zinc/58/25/53/367582553.db2.gz ZGSTTWYMXCBVRD-JSGCOSHPSA-N 2 0 271.364 2.368 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841915 367582907 /nfs/dbraw/zinc/58/29/07/367582907.db2.gz RQKKXOAHVCSUQG-RYUDHWBXSA-N 2 0 295.814 2.195 10 0 CEAERP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400759704 296122502 /nfs/dbraw/zinc/12/25/02/296122502.db2.gz XWIDIQQLIOTCST-CABCVRRESA-N 2 0 261.413 2.101 10 0 CEAERP c1ccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)nc1 ZINC000189367350 369506141 /nfs/dbraw/zinc/50/61/41/369506141.db2.gz MOZRBIJPLIFISN-CABCVRRESA-N 2 0 275.396 2.385 10 0 CEAERP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000231453747 370479268 /nfs/dbraw/zinc/47/92/68/370479268.db2.gz BEWKMAKIHSGORV-CQSZACIVSA-N 2 0 278.396 2.278 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000234696446 370540422 /nfs/dbraw/zinc/54/04/22/370540422.db2.gz BQJISDNNIPVCLM-PWSUYJOCSA-N 2 0 272.339 2.369 10 0 CEAERP CN1CC[C@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647363 371388996 /nfs/dbraw/zinc/38/89/96/371388996.db2.gz VRTDNNMRSZEZRJ-XCBNKYQSSA-N 2 0 275.215 2.462 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]12 ZINC000261601784 371673270 /nfs/dbraw/zinc/67/32/70/371673270.db2.gz BTJFFPKXIZKUDZ-HYVNUMGLSA-N 3 0 282.391 2.041 10 0 CEAERP CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261579780 371658866 /nfs/dbraw/zinc/65/88/66/371658866.db2.gz DXLJHONWXHRZEF-NWANDNLSSA-N 2 0 260.381 2.254 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000261792272 371733942 /nfs/dbraw/zinc/73/39/42/371733942.db2.gz GHFVTQIKRMWCOM-GZBFAFLISA-N 2 0 278.371 2.394 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000261932011 371775299 /nfs/dbraw/zinc/77/52/99/371775299.db2.gz LQTXVNCDICMHQZ-KFWWJZLASA-N 2 0 282.428 2.088 10 0 CEAERP C[C@H]1CN(Cc2ccccc2OCC2CC2)C[C@H]1[NH3+] ZINC000262008060 371797256 /nfs/dbraw/zinc/79/72/56/371797256.db2.gz MBZVZABWUSOAFG-SWLSCSKDSA-N 2 0 260.381 2.254 10 0 CEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262536223 371873861 /nfs/dbraw/zinc/87/38/61/371873861.db2.gz BEMJIPQAHJSVCG-HRCADAONSA-N 2 0 289.423 2.053 10 0 CEAERP CCC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000134483691 220209343 /nfs/dbraw/zinc/20/93/43/220209343.db2.gz NCSAVKHYUXSMJM-MRXNPFEDSA-N 2 0 291.439 2.095 10 0 CEAERP CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C2)cc1OC ZINC000389444848 375303002 /nfs/dbraw/zinc/30/30/02/375303002.db2.gz OUJFXBTZIJGOSP-CQSZACIVSA-N 2 0 278.396 2.278 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000423109815 377003408 /nfs/dbraw/zinc/00/34/08/377003408.db2.gz UZVSJXHCKAXWLT-XLWJZTARSA-N 2 0 254.418 2.297 10 0 CEAERP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301661306 379294784 /nfs/dbraw/zinc/29/47/84/379294784.db2.gz JNNWKHOZJMUFDB-HNNXBMFYSA-N 2 0 299.418 2.436 10 0 CEAERP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000521859026 379545442 /nfs/dbraw/zinc/54/54/42/379545442.db2.gz PDGCXWOUPDNNON-AEFFLSMTSA-N 2 0 289.467 2.486 10 0 CEAERP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000520793844 379504280 /nfs/dbraw/zinc/50/42/80/379504280.db2.gz LMRGSNMODHOYFS-WBVHZDCISA-N 2 0 275.440 2.096 10 0 CEAERP CSCC[C@H]([NH3+])c1csc(CC[NH+](C)C)n1 ZINC000075658671 184584458 /nfs/dbraw/zinc/58/44/58/184584458.db2.gz JSUZVECONFWQKE-VIFPVBQESA-N 2 0 259.444 2.000 10 0 CEAERP CC(C)[NH2+]C[C@H](C)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000093070613 184646087 /nfs/dbraw/zinc/64/60/87/184646087.db2.gz XYBFDZJIAMLRRJ-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640872 177835156 /nfs/dbraw/zinc/83/51/56/177835156.db2.gz JGPJRAWUGUKORS-IAGOWNOFSA-N 2 0 279.472 2.310 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000093797571 184722318 /nfs/dbraw/zinc/72/23/18/184722318.db2.gz XXJQTALHRPYRGH-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)C1 ZINC000094445597 184801871 /nfs/dbraw/zinc/80/18/71/184801871.db2.gz PTHIISYIYHTXDC-QZWWFDLISA-N 2 0 279.472 2.453 10 0 CEAERP C[NH+](C)C(C)(C)COc1nc2ccccc2cc1C(N)=[NH2+] ZINC000093955182 184746015 /nfs/dbraw/zinc/74/60/15/184746015.db2.gz AEMFYXVCFYDLSE-UHFFFAOYSA-N 2 0 286.379 2.238 10 0 CEAERP FC(F)Oc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094009604 184749607 /nfs/dbraw/zinc/74/96/07/184749607.db2.gz NVXTUWQMNAMSDV-UHFFFAOYSA-N 2 0 270.323 2.377 10 0 CEAERP [NH3+]CCC1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094384263 184792620 /nfs/dbraw/zinc/79/26/20/184792620.db2.gz HWBRMPKPYJGIHS-CQSZACIVSA-N 2 0 252.402 2.149 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000094751867 184853254 /nfs/dbraw/zinc/85/32/54/184853254.db2.gz KGBLKHQUKJKGRD-CVEARBPZSA-N 2 0 295.471 2.227 10 0 CEAERP CCC[NH2+]Cc1cc(CN2CC[N@@H+]3CCC[C@@H]3C2)oc1C ZINC000094467205 184806316 /nfs/dbraw/zinc/80/63/16/184806316.db2.gz MAWAUAIMVFBNRM-MRXNPFEDSA-N 2 0 291.439 2.368 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@H](C)SCC[NH+](C)C)cc1 ZINC000095021472 184917730 /nfs/dbraw/zinc/91/77/30/184917730.db2.gz WIVXCTHRNVIUOV-SMDDNHRTSA-N 2 0 268.426 2.378 10 0 CEAERP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000262708607 131254580 /nfs/dbraw/zinc/25/45/80/131254580.db2.gz OBYBWYNJEDXUIV-CZUORRHYSA-N 2 0 295.427 2.296 10 0 CEAERP CC[NH+]1CCN(c2ccc(CCCC[NH3+])cc2)CC1 ZINC000082296764 135005496 /nfs/dbraw/zinc/00/54/96/135005496.db2.gz HQDNACSSEBRQKH-UHFFFAOYSA-N 2 0 261.413 2.110 10 0 CEAERP COc1cccc(N2CC[NH+](C[C@H](C[NH3+])C(C)C)CC2)c1 ZINC000087535306 135051000 /nfs/dbraw/zinc/05/10/00/135051000.db2.gz WMIQVFFKWWRVLO-HNNXBMFYSA-N 2 0 291.439 2.048 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394747 135069035 /nfs/dbraw/zinc/06/90/35/135069035.db2.gz DLBSHIHXCHYDAD-NEPJUHHUSA-N 2 0 265.376 2.376 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H]3CC[C@@H]([NH3+])C3)CC2)c1C ZINC000093224233 135079965 /nfs/dbraw/zinc/07/99/65/135079965.db2.gz JMBCICRXPPEABH-HZPDHXFCSA-N 2 0 273.424 2.305 10 0 CEAERP CC(C)[NH2+]Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094443183 135088744 /nfs/dbraw/zinc/08/87/44/135088744.db2.gz LIHYBIOHORECJG-QGZVFWFLSA-N 2 0 288.439 2.254 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094444536 135088781 /nfs/dbraw/zinc/08/87/81/135088781.db2.gz JQENCJZAEDODRY-RHSMWYFYSA-N 2 0 273.424 2.251 10 0 CEAERP Cc1cc(N2CCN([C@H]3CC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC000262457196 394618029 /nfs/dbraw/zinc/61/80/29/394618029.db2.gz IGOAVWDPPUCNCG-HNNXBMFYSA-N 2 0 296.418 2.027 10 0 CEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000422858260 394833832 /nfs/dbraw/zinc/83/38/32/394833832.db2.gz ZNOIOJKFBQDDAT-AXFHLTTASA-N 2 0 250.308 2.307 10 0 CEAERP C(CN1CC[N@@H+]2CCCC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000161852600 395066700 /nfs/dbraw/zinc/06/67/00/395066700.db2.gz OPVXJYZXLHIACF-MRXNPFEDSA-N 2 0 265.445 2.033 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000389248502 400536532 /nfs/dbraw/zinc/53/65/32/400536532.db2.gz CTRKQIDSKPPDDP-PMPSAXMXSA-N 2 0 268.445 2.392 10 0 CEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000263252639 154044431 /nfs/dbraw/zinc/04/44/31/154044431.db2.gz QCHCDVQFWXBEEH-UKRRQHHQSA-N 2 0 288.416 2.085 10 0 CEAERP Cc1ccc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)c2)cc1 ZINC000263283191 154049881 /nfs/dbraw/zinc/04/98/81/154049881.db2.gz UOYVRABWMJCYTR-RBUKOAKNSA-N 2 0 296.414 2.332 10 0 CEAERP CC(C)[C@H](CNC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000020145510 171031285 /nfs/dbraw/zinc/03/12/85/171031285.db2.gz ZVGYKIPCIZLKDL-HNNXBMFYSA-N 2 0 255.450 2.035 10 0 CEAERP [NH3+]CC[C@@H](COc1ccc(F)cc1F)[NH+]1CCCC1 ZINC000020402159 171182699 /nfs/dbraw/zinc/18/26/99/171182699.db2.gz ZTYWAKBIIAFIMO-LBPRGKRZSA-N 2 0 270.323 2.157 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022214152 171374751 /nfs/dbraw/zinc/37/47/51/171374751.db2.gz XIZPWGDQOPXSHA-MCIONIFRSA-N 2 0 289.423 2.450 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022221496 171378482 /nfs/dbraw/zinc/37/84/82/171378482.db2.gz MYKICRPBHCBHOA-QGZVFWFLSA-N 2 0 275.440 2.275 10 0 CEAERP CC[NH+]1CCN([C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022566047 171391649 /nfs/dbraw/zinc/39/16/49/171391649.db2.gz NZGHQZYQSJCRKU-SJORKVTESA-N 2 0 275.440 2.349 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCC[NH+](C)C)CC1 ZINC000037210220 173031215 /nfs/dbraw/zinc/03/12/15/173031215.db2.gz PNPPJTPGBKNLIM-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)COCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221365 173040605 /nfs/dbraw/zinc/04/06/05/173040605.db2.gz IXFAWWLAIWCWDW-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[N@H+](CCC[NH3+])Cc1ncc(C)c(OC)c1C ZINC000037299556 173103731 /nfs/dbraw/zinc/10/37/31/173103731.db2.gz YOHHOAMWBAJMSE-UHFFFAOYSA-N 2 0 265.401 2.268 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484577 173228725 /nfs/dbraw/zinc/22/87/25/173228725.db2.gz WECHEBPGFWKSRF-GFCCVEGCSA-N 2 0 283.213 2.490 10 0 CEAERP C[NH+]1CCN(CC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000037496777 173235596 /nfs/dbraw/zinc/23/55/96/173235596.db2.gz RKISNIAPZUTQOV-UHFFFAOYSA-N 2 0 283.419 2.177 10 0 CEAERP COc1ccc(CC[C@@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038087086 174098900 /nfs/dbraw/zinc/09/89/00/174098900.db2.gz YDIUDHPTOSBRDV-CQSZACIVSA-N 2 0 262.397 2.312 10 0 CEAERP C[NH2+]C[C@@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000040593244 174347833 /nfs/dbraw/zinc/34/78/33/174347833.db2.gz AHYGJVYECRLXFY-ZWKOTPCHSA-N 2 0 287.451 2.192 10 0 CEAERP [NH3+]CC[C@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000040693683 174377170 /nfs/dbraw/zinc/37/71/70/174377170.db2.gz OSWRRAQGMWEFQH-ZDUSSCGKSA-N 2 0 293.377 2.216 10 0 CEAERP CC(C)C[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693749 174377644 /nfs/dbraw/zinc/37/76/44/174377644.db2.gz WRWSUGJRFRBCQJ-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](CO)CC(C)C)CC1 ZINC000040775335 174402566 /nfs/dbraw/zinc/40/25/66/174402566.db2.gz LUFSPWBZPUKXAF-GDBMZVCRSA-N 2 0 270.461 2.494 10 0 CEAERP COCC[N@H+](CCOc1cccc(C[NH3+])c1)CC(C)C ZINC000042367605 174698684 /nfs/dbraw/zinc/69/86/84/174698684.db2.gz YOYVPNFIFOEHRU-UHFFFAOYSA-N 2 0 280.412 2.129 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC([NH+](C)C)CC2)cc1 ZINC000042908646 174909362 /nfs/dbraw/zinc/90/93/62/174909362.db2.gz XDJRRYMNHKBTKU-YOEHRIQHSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N1CC[NH+](CC)CC1 ZINC000043115505 174975247 /nfs/dbraw/zinc/97/52/47/174975247.db2.gz TWALVVZKCHVKRQ-KBPBESRZSA-N 2 0 267.442 2.164 10 0 CEAERP c1cc(C[NH+]2CCCC2)cc(N[C@@H]2CCC[NH2+]C2)c1 ZINC000043326253 175007638 /nfs/dbraw/zinc/00/76/38/175007638.db2.gz FHNATCMNKGMRFY-MRXNPFEDSA-N 2 0 259.397 2.446 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347944 175017692 /nfs/dbraw/zinc/01/76/92/175017692.db2.gz JNTTZIKYCURXJZ-IAGOWNOFSA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](CC)CC1 ZINC000043354755 175022088 /nfs/dbraw/zinc/02/20/88/175022088.db2.gz OBVUWVHZCQQUSC-IRXDYDNUSA-N 2 0 290.455 2.276 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(CC(C)C)cc1 ZINC000043810499 175109439 /nfs/dbraw/zinc/10/94/39/175109439.db2.gz XLVRLICSWHWYPC-GOSISDBHSA-N 2 0 289.467 2.393 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810746 175110030 /nfs/dbraw/zinc/11/00/30/175110030.db2.gz PLUUVZFLUJNTMD-XHSDSOJGSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043810925 175110491 /nfs/dbraw/zinc/11/04/91/175110491.db2.gz PQVYYSWWEPQMCI-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815178 175111782 /nfs/dbraw/zinc/11/17/82/175111782.db2.gz IQMZTSQJCNJAAH-PBHICJAKSA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043889932 175117645 /nfs/dbraw/zinc/11/76/45/175117645.db2.gz ADEZPPONPWIKGT-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000043896870 175119271 /nfs/dbraw/zinc/11/92/71/175119271.db2.gz NVNCYFVTQWOOKQ-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897264 175119725 /nfs/dbraw/zinc/11/97/25/175119725.db2.gz VTXFWBPORVIDGR-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897423 175120375 /nfs/dbraw/zinc/12/03/75/175120375.db2.gz CBFGSPHDYQTUBD-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000043967762 175129234 /nfs/dbraw/zinc/12/92/34/175129234.db2.gz OHAAQISGBBENIH-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970721 175131755 /nfs/dbraw/zinc/13/17/55/175131755.db2.gz FYIPQFHUOHKVPL-DZGCQCFKSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970823 175131938 /nfs/dbraw/zinc/13/19/38/175131938.db2.gz LKKMXHZRHDQXET-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)C(C)(C)C ZINC000043970681 175132200 /nfs/dbraw/zinc/13/22/00/175132200.db2.gz QPBWPMAWOPXPQM-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP COCC[C@@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000045018339 175291341 /nfs/dbraw/zinc/29/13/41/175291341.db2.gz XSRBIIMCTWUELP-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP C[N@H+](C[C@@H](O)c1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068660 175300697 /nfs/dbraw/zinc/30/06/97/175300697.db2.gz QZKKPIXWUQBSAL-CQSZACIVSA-N 2 0 250.386 2.157 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)C(C)C)C(N)=O ZINC000045383699 175371530 /nfs/dbraw/zinc/37/15/30/175371530.db2.gz SMHNIHYKXHUYFM-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP C[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045419143 175377418 /nfs/dbraw/zinc/37/74/18/175377418.db2.gz KUCVXRYRWJLMHS-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200062 415636790 /nfs/dbraw/zinc/63/67/90/415636790.db2.gz IXGBQESELCTUNX-GJZGRUSLSA-N 2 0 261.413 2.219 10 0 CEAERP CCC[NH+]1CCC(O)([C@@H]2C[C@@H](CC)CC[NH2+]2)CC1 ZINC000070398630 175910048 /nfs/dbraw/zinc/91/00/48/175910048.db2.gz MPKHDCZRUJUTBL-KBPBESRZSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034906 176024757 /nfs/dbraw/zinc/02/47/57/176024757.db2.gz XXFIZIJBNZGUNM-OAHLLOKOSA-N 2 0 283.460 2.096 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071091594 176032148 /nfs/dbraw/zinc/03/21/48/176032148.db2.gz SMBBTLSVJSNCAO-KRWDZBQOSA-N 2 0 274.408 2.232 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000071123895 176034787 /nfs/dbraw/zinc/03/47/87/176034787.db2.gz KHWSCCJYFKKDGO-DOTOQJQBSA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188096 176061570 /nfs/dbraw/zinc/06/15/70/176061570.db2.gz OKGCUUBLTOPYFF-VNHYZAJKSA-N 2 0 281.469 2.410 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188089 176061841 /nfs/dbraw/zinc/06/18/41/176061841.db2.gz OHVYRORCZCWICR-XYPHTWIQSA-N 2 0 293.430 2.488 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188053 176061873 /nfs/dbraw/zinc/06/18/73/176061873.db2.gz VVUILDJMKJJWFB-YRGRVCCFSA-N 2 0 267.442 2.020 10 0 CEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188212 176062813 /nfs/dbraw/zinc/06/28/13/176062813.db2.gz RXQVDDFLLNQEQT-KLHDSHLOSA-N 2 0 267.461 2.024 10 0 CEAERP CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189007 176064810 /nfs/dbraw/zinc/06/48/10/176064810.db2.gz SHDZSXLJPIVJBK-ZJIFWQFVSA-N 2 0 267.461 2.037 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188970 176064832 /nfs/dbraw/zinc/06/48/32/176064832.db2.gz TUIORZVYWGLZNB-GJZGRUSLSA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191439 176069469 /nfs/dbraw/zinc/06/94/69/176069469.db2.gz OGHQLUZJYFJLMB-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191972 176071051 /nfs/dbraw/zinc/07/10/51/176071051.db2.gz UWKWLTIMQAWCKS-CVEARBPZSA-N 2 0 269.477 2.140 10 0 CEAERP CN(CCC[NH2+]C1CCCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192203 176073177 /nfs/dbraw/zinc/07/31/77/176073177.db2.gz FCRFBWJJPDHTPZ-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192089 176073539 /nfs/dbraw/zinc/07/35/39/176073539.db2.gz NGWBNXAXSHRLKX-HNNXBMFYSA-N 2 0 293.455 2.409 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200518 176077598 /nfs/dbraw/zinc/07/75/98/176077598.db2.gz QMHHHWSOJAVZRQ-HOTGVXAUSA-N 2 0 267.461 2.179 10 0 CEAERP COCCN(CCC[NH3+])c1cc[nH+]c2ccccc21 ZINC000071223562 176088343 /nfs/dbraw/zinc/08/83/43/176088343.db2.gz XHBDYCPBUYSPTQ-UHFFFAOYSA-N 2 0 259.353 2.036 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263633 176096693 /nfs/dbraw/zinc/09/66/93/176096693.db2.gz NRNWJCBJSFLXQX-ZDUSSCGKSA-N 2 0 279.403 2.201 10 0 CEAERP CN1CC[NH+](CCCCCC[NH2+]C(C)(C)C)CC1 ZINC000071287042 176109940 /nfs/dbraw/zinc/10/99/40/176109940.db2.gz BQPRGYNWVQDTLE-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[NH2+]CCCCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000071289753 176110515 /nfs/dbraw/zinc/11/05/15/176110515.db2.gz PWWMNUVWKBRCMB-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP C[NH2+]CCCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000071290047 176110710 /nfs/dbraw/zinc/11/07/10/176110710.db2.gz SZVXDOIXRGKFJU-UHFFFAOYSA-N 3 0 255.450 2.040 10 0 CEAERP CCC[NH2+]CCCCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290063 176110797 /nfs/dbraw/zinc/11/07/97/176110797.db2.gz OZJMBTXUSSXZDB-MRXNPFEDSA-N 3 0 269.477 2.430 10 0 CEAERP [NH3+][C@@H](CCC[NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000071401978 176153872 /nfs/dbraw/zinc/15/38/72/176153872.db2.gz WFZDMERMEUVDPR-RDJZCZTQSA-N 2 0 273.424 2.293 10 0 CEAERP COCC[NH+](CCC[C@H]([NH3+])c1ccccc1)CCOC ZINC000071401797 176154108 /nfs/dbraw/zinc/15/41/08/176154108.db2.gz DXHNOCSVGCNPDR-INIZCTEOSA-N 2 0 280.412 2.061 10 0 CEAERP CCN(c1ccccc1)[C@H](C[NH3+])C[NH+]1CCCCC1 ZINC000076673494 177054948 /nfs/dbraw/zinc/05/49/48/177054948.db2.gz JRNLJKSSEFSXPO-MRXNPFEDSA-N 2 0 261.413 2.326 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(OC)OC ZINC000079613192 177524736 /nfs/dbraw/zinc/52/47/36/177524736.db2.gz UXBQAJGQRDGFIY-QWHCGFSZSA-N 2 0 260.422 2.094 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000079625444 177529008 /nfs/dbraw/zinc/52/90/08/177529008.db2.gz KNTGULCRUYFGIQ-RBSFLKMASA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)C1CCN(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000079655567 177531141 /nfs/dbraw/zinc/53/11/41/177531141.db2.gz RNQISWVIJIHQAV-UHFFFAOYSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@@H]2CC(C)(C)CC[C@@H]2O)CC1 ZINC000079658320 177532082 /nfs/dbraw/zinc/53/20/82/177532082.db2.gz DQXMMAXWTDQANX-CABCVRRESA-N 2 0 268.445 2.200 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666743896 419411975 /nfs/dbraw/zinc/41/19/75/419411975.db2.gz LRQQTASULZFOGG-SWLSCSKDSA-N 2 0 255.365 2.452 10 0 CEAERP C[C@H](CCC1CC1)[NH2+]C[C@@H](O)CN1CCCCC1 ZINC000186269891 262313329 /nfs/dbraw/zinc/31/33/29/262313329.db2.gz GOZRDEUDFMQGML-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP CC/C=C/CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184522100 270243462 /nfs/dbraw/zinc/24/34/62/270243462.db2.gz SBSUCZWHZIBMJS-LLYBFZRZSA-N 2 0 268.445 2.367 10 0 CEAERP CCOCc1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400703907 273703005 /nfs/dbraw/zinc/70/30/05/273703005.db2.gz KNHFYSDADLLTKC-KGLIPLIRSA-N 2 0 262.397 2.311 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061654719 524732284 /nfs/dbraw/zinc/73/22/84/524732284.db2.gz IGDPGJQTIUPPKD-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000562959199 298725881 /nfs/dbraw/zinc/72/58/81/298725881.db2.gz CNUZTRWATRFGPU-HUUCEWRRSA-N 2 0 267.461 2.229 10 0 CEAERP COc1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564824043 298850513 /nfs/dbraw/zinc/85/05/13/298850513.db2.gz RHQIGCUBWHCDRX-ZIAGYGMSSA-N 2 0 278.396 2.052 10 0 CEAERP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000516173841 313083169 /nfs/dbraw/zinc/08/31/69/313083169.db2.gz DJIALPWICLANIG-TWMKSMIVSA-N 2 0 281.488 2.475 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)CC1 ZINC000049553838 519847908 /nfs/dbraw/zinc/84/79/08/519847908.db2.gz BNSUAOJHMNJGPA-LSDHHAIUSA-N 3 0 269.477 2.427 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C)C1 ZINC000052372323 520318645 /nfs/dbraw/zinc/31/86/45/520318645.db2.gz HEYJXNVLSWCWJV-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])[N@H+](CCCOC)CCOC ZINC000069380365 521121966 /nfs/dbraw/zinc/12/19/66/521121966.db2.gz OOIZJGKMQCGKAY-HNNXBMFYSA-N 2 0 274.449 2.269 10 0 CEAERP CCC(C)(C)[N@H+](C)C[C@@H](O)COc1ccc(C[NH3+])cc1 ZINC000069429409 521305370 /nfs/dbraw/zinc/30/53/70/521305370.db2.gz IPUPLAOEHQFACR-CQSZACIVSA-N 2 0 280.412 2.005 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543622 522137567 /nfs/dbraw/zinc/13/75/67/522137567.db2.gz XERHTHVOMROTCV-ZDUSSCGKSA-N 2 0 262.397 2.405 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CCCN1CCC[NH+]1CCCC1 ZINC000053649841 518761571 /nfs/dbraw/zinc/76/15/71/518761571.db2.gz NPHOOBRZDKZSCG-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)C[C@H]1CSC(N[C@H](C)CC[NH+](C)C)=[NH+]1 ZINC000049559267 519418167 /nfs/dbraw/zinc/41/81/67/519418167.db2.gz SCIWQYGRWOUEAR-NEPJUHHUSA-N 2 0 257.447 2.434 10 0 CEAERP CC(C)CCC[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655212 519641248 /nfs/dbraw/zinc/64/12/48/519641248.db2.gz QNAZWUTTZSMVKS-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571556 519722699 /nfs/dbraw/zinc/72/26/99/519722699.db2.gz RPLWSXDXBDWKLB-HNNXBMFYSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[NH2+]C[C@H](OCC[NH+](C)C)c1ccccc1 ZINC000052669933 519724773 /nfs/dbraw/zinc/72/47/73/519724773.db2.gz VTYHDHICLAPOTD-HNNXBMFYSA-N 2 0 250.386 2.304 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000055076100 519725962 /nfs/dbraw/zinc/72/59/62/519725962.db2.gz MYLRSZHHZJSVND-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[NH2+]Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654175 519726911 /nfs/dbraw/zinc/72/69/11/519726911.db2.gz BYLDGJHGWVPCFF-MRXNPFEDSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC1 ZINC000055077316 519727443 /nfs/dbraw/zinc/72/74/43/519727443.db2.gz JYHDYSIWXXGGEG-UKRRQHHQSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055077262 519727642 /nfs/dbraw/zinc/72/76/42/519727642.db2.gz FBTVFRPHGDOFKO-INIZCTEOSA-N 2 0 279.403 2.099 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC(C[NH+](C)C)CC2)c1 ZINC000051484357 519727750 /nfs/dbraw/zinc/72/77/50/519727750.db2.gz BCKVOCRIBNICHF-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055077135 519728016 /nfs/dbraw/zinc/72/80/16/519728016.db2.gz NGJDRZHWNBGOOM-WBVHZDCISA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])CC1 ZINC000055077385 519728057 /nfs/dbraw/zinc/72/80/57/519728057.db2.gz GABWBSMHRGWAIS-PBHICJAKSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055078464 519728540 /nfs/dbraw/zinc/72/85/40/519728540.db2.gz ILAQWEGIFDCBLW-HOTGVXAUSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000055079658 519728928 /nfs/dbraw/zinc/72/89/28/519728928.db2.gz BSLQWNFOENUPDD-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654624 519729129 /nfs/dbraw/zinc/72/91/29/519729129.db2.gz FEEPLUUKHMZQEM-HNNXBMFYSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477746 519743794 /nfs/dbraw/zinc/74/37/94/519743794.db2.gz ZBQHDHFDPDEPEE-OAHLLOKOSA-N 3 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571609 519745798 /nfs/dbraw/zinc/74/57/98/519745798.db2.gz YMODHTOGFSNRAJ-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](C)OC(C)(C)C2)O1 ZINC000052543609 519746301 /nfs/dbraw/zinc/74/63/01/519746301.db2.gz CMDWWDISUCNVIV-OAGGEKHMSA-N 2 0 298.471 2.279 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571937 519748070 /nfs/dbraw/zinc/74/80/70/519748070.db2.gz DGVWLMDFNHYUIT-HNNXBMFYSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC[N@H+](C)CC1 ZINC000052424054 519794779 /nfs/dbraw/zinc/79/47/79/519794779.db2.gz MIGRWSNJVLZKLY-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CC2)CC1 ZINC000052371232 519815922 /nfs/dbraw/zinc/81/59/22/519815922.db2.gz QMHXVVQORNINAP-HNNXBMFYSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCC(NC(=[NH2+])NC2CCCCC2)CC1 ZINC000052048705 519845010 /nfs/dbraw/zinc/84/50/10/519845010.db2.gz GZTHEMVLGSQVJE-UHFFFAOYSA-N 2 0 266.433 2.307 10 0 CEAERP CCC[NH+]1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559448 519858616 /nfs/dbraw/zinc/85/86/16/519858616.db2.gz YNLMSIZZWMTLDD-BBWFWOEESA-N 2 0 281.488 2.414 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cn1cccn1 ZINC000054629759 519908483 /nfs/dbraw/zinc/90/84/83/519908483.db2.gz YHHRPCJMSRDZMJ-HNSVSWJLSA-N 2 0 276.428 2.267 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)C(C)C ZINC000054602294 519909781 /nfs/dbraw/zinc/90/97/81/519909781.db2.gz YYVRDQVNBVMEJS-MQVJKMGUSA-N 2 0 267.461 2.322 10 0 CEAERP CC[NH2+]CC[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417132 519928001 /nfs/dbraw/zinc/92/80/01/519928001.db2.gz VNWRTONDNWVHOG-INIZCTEOSA-N 2 0 275.440 2.192 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545253 519929901 /nfs/dbraw/zinc/92/99/01/519929901.db2.gz BCRWHFFJSZECDK-ZFWWWQNUSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[NH2+]C[C@H](C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074700 519930856 /nfs/dbraw/zinc/93/08/56/519930856.db2.gz KYFYZGTWASWYBQ-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481015 519937233 /nfs/dbraw/zinc/93/72/33/519937233.db2.gz BQLQLBBPCVYETP-CVEARBPZSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379026 519938055 /nfs/dbraw/zinc/93/80/55/519938055.db2.gz OLJZCHXBBOXSPP-ZNMIVQPWSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2CC)O1 ZINC000052375341 519938211 /nfs/dbraw/zinc/93/82/11/519938211.db2.gz GXJSFYMCAIORJI-ZNMIVQPWSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545254 519958470 /nfs/dbraw/zinc/95/84/70/519958470.db2.gz BCRWHFFJSZECDK-DZGCQCFKSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[NH2+][C@@H](C)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055066139 519987811 /nfs/dbraw/zinc/98/78/11/519987811.db2.gz ALKONKZKALZNQY-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](CCCOC)CCOC ZINC000052543318 520006686 /nfs/dbraw/zinc/00/66/86/520006686.db2.gz DURSQDFGJBWDGP-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@@H](C)COC ZINC000052511618 520007935 /nfs/dbraw/zinc/00/79/35/520007935.db2.gz FUWCJYMPHRTOFR-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP CC[NH2+]Cc1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907414 520015786 /nfs/dbraw/zinc/01/57/86/520015786.db2.gz DIIMGLUSGQKVFU-UHFFFAOYSA-N 2 0 282.457 2.031 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979560 520022381 /nfs/dbraw/zinc/02/23/81/520022381.db2.gz FRDFQJHPWMYYLL-GVDBMIGSSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000053858894 520117259 /nfs/dbraw/zinc/11/72/59/520117259.db2.gz NIUUHKUVMAZISG-DLBZAZTESA-N 3 0 281.488 2.428 10 0 CEAERP CCCCCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063178360 520126686 /nfs/dbraw/zinc/12/66/86/520126686.db2.gz BIEVTIRWBXSWMY-GJZGRUSLSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH2+][C@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073719 520199476 /nfs/dbraw/zinc/19/94/76/520199476.db2.gz ACGAZIHBTWNQAF-QZTJIDSGSA-N 2 0 287.451 2.363 10 0 CEAERP CCO[C@@H]1CCC[N@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052198132 520319524 /nfs/dbraw/zinc/31/95/24/520319524.db2.gz JRGSMTUHIBHEGX-MRXNPFEDSA-N 2 0 298.471 2.282 10 0 CEAERP CC1(C)CC[NH+](CC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000061818766 520376975 /nfs/dbraw/zinc/37/69/75/520376975.db2.gz ZIWHHFORKLJHNH-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)[NH2+]CC)CC1 ZINC000061272787 520398290 /nfs/dbraw/zinc/39/82/90/520398290.db2.gz BEXIUQKLOSEDNN-HNNXBMFYSA-N 2 0 297.487 2.345 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c(C[NH2+]C(C)C)c(C)n1 ZINC000054854292 520710686 /nfs/dbraw/zinc/71/06/86/520710686.db2.gz TVWFCXFEZJRVPV-UHFFFAOYSA-N 2 0 278.444 2.476 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C)C[NH2+]C2CCCC2)C1 ZINC000062974342 520874263 /nfs/dbraw/zinc/87/42/63/520874263.db2.gz AUQCVGBGJMVKHS-HOCLYGCPSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC1CC1 ZINC000069239475 521004845 /nfs/dbraw/zinc/00/48/45/521004845.db2.gz XOFGNWJGPVPGBU-INIZCTEOSA-N 2 0 283.460 2.131 10 0 CEAERP CC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052377154 521022655 /nfs/dbraw/zinc/02/26/55/521022655.db2.gz XFIOESFGROGWBV-HUUCEWRRSA-N 2 0 252.402 2.018 10 0 CEAERP CC[N@H+](CCOc1ccccc1C[NH2+]C)[C@@H](C)COC ZINC000052504855 521153700 /nfs/dbraw/zinc/15/37/00/521153700.db2.gz NYVYYQGEHYQZDS-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000069381188 521253696 /nfs/dbraw/zinc/25/36/96/521253696.db2.gz RHQNXIBTZJMLHU-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCC(C)(C)[N@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000069429396 521304514 /nfs/dbraw/zinc/30/45/14/521304514.db2.gz HPOFEYQOGZFDPB-AWEZNQCLSA-N 2 0 250.386 2.299 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000164387029 521604947 /nfs/dbraw/zinc/60/49/47/521604947.db2.gz MQOOFRNOOFSCND-JKSUJKDBSA-N 2 0 295.471 2.003 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052484137 521655779 /nfs/dbraw/zinc/65/57/79/521655779.db2.gz KZJOVLGUGUKGEG-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1CC1 ZINC000061654545 521840500 /nfs/dbraw/zinc/84/05/00/521840500.db2.gz NJCALVLOYQTVCK-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1CCC[NH2+]C1CCCCC1 ZINC000061655070 521865885 /nfs/dbraw/zinc/86/58/85/521865885.db2.gz DKQNKHVZAZOWPO-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+]C[C@@H](c1ccccc1)N1CCC(C[NH+](C)C)CC1 ZINC000052515478 522037845 /nfs/dbraw/zinc/03/78/45/522037845.db2.gz WMHDJUQAMOWESY-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052547325 522090993 /nfs/dbraw/zinc/09/09/93/522090993.db2.gz JXUINTKVWXTPLD-CYBMUJFWSA-N 2 0 283.416 2.420 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482373 522093002 /nfs/dbraw/zinc/09/30/02/522093002.db2.gz BGUQYOPTEXMASA-JJXSEGSLSA-N 2 0 266.429 2.266 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3sccc3[C@@H]2C)O1 ZINC000052505590 522094434 /nfs/dbraw/zinc/09/44/34/522094434.db2.gz HUUCSHRCSZGPJN-XQQFMLRXSA-N 2 0 280.437 2.434 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000055074537 522119035 /nfs/dbraw/zinc/11/90/35/522119035.db2.gz AAGWRBFAWWQXQQ-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074739 522120761 /nfs/dbraw/zinc/12/07/61/522120761.db2.gz QSEFDWGEVFLTDC-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000055073846 522125415 /nfs/dbraw/zinc/12/54/15/522125415.db2.gz OEPWBFRRPIQSOC-CYBMUJFWSA-N 2 0 279.428 2.224 10 0 CEAERP C[NH2+]Cc1ccoc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973567 522143267 /nfs/dbraw/zinc/14/32/67/522143267.db2.gz MAKLWVXXSPVOIA-HNNXBMFYSA-N 2 0 277.412 2.059 10 0 CEAERP C[NH2+]Cc1oc(CN(CC[NH+](C)C)CC(C)C)cc1C ZINC000052503429 522160522 /nfs/dbraw/zinc/16/05/22/522160522.db2.gz RQYQGAPLNIYSSX-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP C[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C1CC1 ZINC000069180130 522167305 /nfs/dbraw/zinc/16/73/05/522167305.db2.gz YREDAFRLWJKTAH-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078859 522402548 /nfs/dbraw/zinc/40/25/48/522402548.db2.gz GNVLYRGHKDJUMH-QZTJIDSGSA-N 2 0 287.451 2.145 10 0 CEAERP C[NH2+][C@H]1COc2cc(OCC[NH+]3CCCCC3)ccc21 ZINC000062804180 522508821 /nfs/dbraw/zinc/50/88/21/522508821.db2.gz FZKRFYHDJPFKLB-HNNXBMFYSA-N 2 0 276.380 2.204 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511956 522596405 /nfs/dbraw/zinc/59/64/05/522596405.db2.gz OZNVZRSFSSBJLA-ZDUSSCGKSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963956 522654807 /nfs/dbraw/zinc/65/48/07/522654807.db2.gz AFKRDORCUXTELW-MJBXVCDLSA-N 2 0 267.442 2.162 10 0 CEAERP C[N@H+](Cc1cccc(F)c1)CC1(C[NH3+])CCOCC1 ZINC000052181117 523311435 /nfs/dbraw/zinc/31/14/35/523311435.db2.gz CNSOSXBHGVEIOY-UHFFFAOYSA-N 2 0 266.360 2.013 10 0 CEAERP CCn1cc[nH+]c1N(CCC[NH3+])c1ccc(OC)cc1 ZINC000050607886 523547850 /nfs/dbraw/zinc/54/78/50/523547850.db2.gz GSXVPJUZTDDESO-UHFFFAOYSA-N 2 0 274.368 2.399 10 0 CEAERP COCC[N@H+]([C@H](C)CCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572407 523780124 /nfs/dbraw/zinc/78/01/24/523780124.db2.gz YZBIHBBSDIHIQR-CVEARBPZSA-N 2 0 288.476 2.384 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000055083581 523953131 /nfs/dbraw/zinc/95/31/31/523953131.db2.gz BIPAQGZWGAYNRZ-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065332 523954135 /nfs/dbraw/zinc/95/41/35/523954135.db2.gz FKSPYTBBGXVPAS-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074766 523955557 /nfs/dbraw/zinc/95/55/57/523955557.db2.gz YDGCGQWATZPIKL-CVEARBPZSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000055063846 523959030 /nfs/dbraw/zinc/95/90/30/523959030.db2.gz WPEGHSZIVUIXQY-QWHCGFSZSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063637 523959627 /nfs/dbraw/zinc/95/96/27/523959627.db2.gz BUHNIYGRUPGKJQ-WMLDXEAASA-N 2 0 291.439 2.111 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2nc(N)ccc2Cl)CC1 ZINC000061638364 524049541 /nfs/dbraw/zinc/04/95/41/524049541.db2.gz WPSZSTGOEGDQQO-UHFFFAOYSA-N 2 0 282.819 2.091 10 0 CEAERP C[NH+](C)CC1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000053428363 524049609 /nfs/dbraw/zinc/04/96/09/524049609.db2.gz VXKXAHUBZCNBFA-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1C ZINC000050563658 524217189 /nfs/dbraw/zinc/21/71/89/524217189.db2.gz QZIOULQODFQSHH-CHWSQXEVSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374725 524457746 /nfs/dbraw/zinc/45/77/46/524457746.db2.gz TYPUFDFHFFGNEA-ZDUSSCGKSA-N 2 0 265.376 2.075 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CC[NH+](CC2CC2)CC1 ZINC000052372432 524477829 /nfs/dbraw/zinc/47/78/29/524477829.db2.gz ZXAWTJLZPDQMNN-CQSZACIVSA-N 2 0 267.461 2.038 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077949 525003016 /nfs/dbraw/zinc/00/30/16/525003016.db2.gz DDVQKTBGBOPEHT-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684851 525189863 /nfs/dbraw/zinc/18/98/63/525189863.db2.gz KZIQVHNPNHNGDK-DYVFJYSZSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)ccc1F ZINC000050546439 525535703 /nfs/dbraw/zinc/53/57/03/525535703.db2.gz OCAMGQAHIBUWPR-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068629673 525648636 /nfs/dbraw/zinc/64/86/36/525648636.db2.gz JCWDEBODAJDHOH-YLFCFFPRSA-N 2 0 279.472 2.310 10 0 CEAERP NC(=[NH2+])c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000068761828 526819901 /nfs/dbraw/zinc/81/99/01/526819901.db2.gz RCEOAKIBTLBONF-OAHLLOKOSA-N 2 0 280.375 2.355 10 0 CEAERP [NH3+]CC[C@H]1CN(CC[NH+]2CCCC2)c2ccccc21 ZINC000063128871 527195142 /nfs/dbraw/zinc/19/51/42/527195142.db2.gz DHIWOMSWHBLIAP-AWEZNQCLSA-N 2 0 259.397 2.035 10 0 CEAERP C[C@@H]1C[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000225243036 628888457 /nfs/dbraw/zinc/88/84/57/628888457.db2.gz DEPVTLITSUZEFD-MLQJFRMTSA-N 2 0 252.402 2.016 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000236990204 629146199 /nfs/dbraw/zinc/14/61/99/629146199.db2.gz HDOYFYMTMSSJSO-LSDHHAIUSA-N 2 0 283.460 2.132 10 0 CEAERP Fc1cccnc1O[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955056 629389665 /nfs/dbraw/zinc/38/96/65/629389665.db2.gz OOIIWUSURSYMRW-KGLIPLIRSA-N 2 0 293.386 2.064 10 0 CEAERP CN(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911062 651656454 /nfs/dbraw/zinc/65/64/54/651656454.db2.gz ZKUOPKUHZOVJHC-OLZOCXBDSA-N 2 0 267.442 2.083 10 0 CEAERP CC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1COC ZINC000082446909 178024464 /nfs/dbraw/zinc/02/44/64/178024464.db2.gz WTIQTOJTFVHDQG-UHFFFAOYSA-N 2 0 285.457 2.283 10 0 CEAERP C[NH2+][C@@](C)(CO)CCC[N@H+](CCC(C)C)C1CC1 ZINC000096836993 185116411 /nfs/dbraw/zinc/11/64/11/185116411.db2.gz SMFQIJLOZUUJQL-OAHLLOKOSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH2+][C@@](C)(CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096837001 185116573 /nfs/dbraw/zinc/11/65/73/185116573.db2.gz UOJOCICROYUVCO-OAHLLOKOSA-N 2 0 256.434 2.248 10 0 CEAERP C[NH2+][C@](C)(CO)C[C@H](C)[N@H+](CCC(C)C)C1CC1 ZINC000096836996 185116723 /nfs/dbraw/zinc/11/67/23/185116723.db2.gz HGFCDSYFWPJGHT-ZFWWWQNUSA-N 2 0 256.434 2.246 10 0 CEAERP c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c2c(c1)C[NH2+]CC2 ZINC000228553352 539346849 /nfs/dbraw/zinc/34/68/49/539346849.db2.gz YAFJVZSSYLXNBE-QZTJIDSGSA-N 2 0 286.419 2.476 10 0 CEAERP COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH2+]CC2 ZINC000169789907 344482906 /nfs/dbraw/zinc/48/29/06/344482906.db2.gz VMMZJSVPSPMMDM-CQSZACIVSA-N 2 0 280.437 2.196 10 0 CEAERP Cc1noc(C)c1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000328655396 344757726 /nfs/dbraw/zinc/75/77/26/344757726.db2.gz YIGHGHJZSGATEC-CYBMUJFWSA-N 2 0 274.368 2.182 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@H]12 ZINC000381839663 344825311 /nfs/dbraw/zinc/82/53/11/344825311.db2.gz JSQVPIKDTDGGRV-VBNZEHGJSA-N 2 0 267.376 2.404 10 0 CEAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCOC23CC[NH2+]CC3)cc1 ZINC000584620444 344967383 /nfs/dbraw/zinc/96/73/83/344967383.db2.gz NNCCLCDGPZVGEG-CJNGLKHVSA-N 2 0 290.407 2.257 10 0 CEAERP CCC[NH2+][C@@H](C)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000084392532 178879921 /nfs/dbraw/zinc/87/99/21/178879921.db2.gz LJYJPJQTXDHUJJ-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCC[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000085212351 178976329 /nfs/dbraw/zinc/97/63/29/178976329.db2.gz FRPSTGKWUJTFPG-KKUMJFAQSA-N 2 0 256.434 2.103 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094462772 136513681 /nfs/dbraw/zinc/51/36/81/136513681.db2.gz TXUSJHRHBSJWFY-OAHLLOKOSA-N 2 0 259.397 2.081 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369460 179039312 /nfs/dbraw/zinc/03/93/12/179039312.db2.gz BQHOLZRFWRSJAW-CVEARBPZSA-N 2 0 295.471 2.084 10 0 CEAERP CCc1nc2c(n1[C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]C2 ZINC000085572641 179097146 /nfs/dbraw/zinc/09/71/46/179097146.db2.gz CPZPHUFDUZTDDD-ZDUSSCGKSA-N 2 0 278.444 2.240 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573164 179098405 /nfs/dbraw/zinc/09/84/05/179098405.db2.gz GAEZGCUYMNANQX-HNNXBMFYSA-N 2 0 276.428 2.165 10 0 CEAERP CC(C)c1nc2c(n1[C@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573486 179098687 /nfs/dbraw/zinc/09/86/87/179098687.db2.gz KLZGWIVECADEIW-GFCCVEGCSA-N 2 0 264.417 2.165 10 0 CEAERP CCc1nc2c(n1[C@H](C)C[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085574275 179099412 /nfs/dbraw/zinc/09/94/12/179099412.db2.gz NEUHPMNGQHMZOX-CYBMUJFWSA-N 2 0 276.428 2.138 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085623371 179106253 /nfs/dbraw/zinc/10/62/53/179106253.db2.gz AJCGCDHXQRDROB-CQSZACIVSA-N 2 0 266.429 2.410 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000111493834 136562638 /nfs/dbraw/zinc/56/26/38/136562638.db2.gz FZSSHSPNOLLWQF-OAHLLOKOSA-N 2 0 275.440 2.497 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971331 179206752 /nfs/dbraw/zinc/20/67/52/179206752.db2.gz JNXHIWCFRNGHBY-UGUYLWEFSA-N 2 0 268.445 2.248 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@H]([C@@H](C)CC)C2)CC1 ZINC000086144499 179237379 /nfs/dbraw/zinc/23/73/79/179237379.db2.gz GZSOXJQAUJGFSY-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173705 179245073 /nfs/dbraw/zinc/24/50/73/179245073.db2.gz NXUBSUUUIUUCRC-NUJGCVRESA-N 2 0 287.451 2.363 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223088 179250809 /nfs/dbraw/zinc/25/08/09/179250809.db2.gz LNBDZICTBDEZMC-HYVNUMGLSA-N 2 0 279.472 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225400 179253054 /nfs/dbraw/zinc/25/30/54/179253054.db2.gz SRFMLLLTKFREOL-LSDHHAIUSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259123 179257920 /nfs/dbraw/zinc/25/79/20/179257920.db2.gz IGXKDZHOFUQRET-SJORKVTESA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086260750 179259866 /nfs/dbraw/zinc/25/98/66/179259866.db2.gz QVBREKUBJAPEHT-GVDBMIGSSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261038 179259959 /nfs/dbraw/zinc/25/99/59/179259959.db2.gz XRHTTZFGBSNZSM-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288916 179264258 /nfs/dbraw/zinc/26/42/58/179264258.db2.gz GHIJUHAMVRKGED-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288945 179264560 /nfs/dbraw/zinc/26/45/60/179264560.db2.gz RLFUZLCVOSYRSE-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289437 179264712 /nfs/dbraw/zinc/26/47/12/179264712.db2.gz QVWIEUAKANVSDK-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP C1C[C@@H]2[C@@H](N3CCC[NH2+]C4(CCCCC4)C3)CC[N@@H+]2C1 ZINC000086290848 179265339 /nfs/dbraw/zinc/26/53/39/179265339.db2.gz IIEUKYLZKOYUGN-CVEARBPZSA-N 2 0 277.456 2.221 10 0 CEAERP CC(C)[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259021 179257329 /nfs/dbraw/zinc/25/73/29/179257329.db2.gz IYEQVBQQYLOIAR-SJORKVTESA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291664 179266250 /nfs/dbraw/zinc/26/62/50/179266250.db2.gz LMBVTENBKFTTNN-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCCc2sc(N3CCC[N@H+](C)CC3)nc21 ZINC000086441955 179293495 /nfs/dbraw/zinc/29/34/95/179293495.db2.gz ABDZERZARIJWSA-GFCCVEGCSA-N 2 0 294.468 2.272 10 0 CEAERP CC[N@@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C[C@@H]1C ZINC000086444154 179293793 /nfs/dbraw/zinc/29/37/93/179293793.db2.gz NDERYVLTTWPJJR-QWRGUYRKSA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)C[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817429 179344572 /nfs/dbraw/zinc/34/45/72/179344572.db2.gz VLRHFEFXGQSLJQ-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847105 179356508 /nfs/dbraw/zinc/35/65/08/179356508.db2.gz PMZNLMZDABTTIA-QGZVFWFLSA-N 2 0 290.455 2.105 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840502 179353028 /nfs/dbraw/zinc/35/30/28/179353028.db2.gz WFWLECVRFUAXRL-GJZGRUSLSA-N 2 0 264.417 2.124 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843127 179353114 /nfs/dbraw/zinc/35/31/14/179353114.db2.gz LVIGMCHZKATPPX-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842249 179353462 /nfs/dbraw/zinc/35/34/62/179353462.db2.gz TXRACDIZYWZIEL-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CCCCN(C)[C@@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846557 179354358 /nfs/dbraw/zinc/35/43/58/179354358.db2.gz XRCMRXVHUFTDRO-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCCCC2)CC1 ZINC000086846461 179354548 /nfs/dbraw/zinc/35/45/48/179354548.db2.gz VVJMXMQNFDILDT-HNNXBMFYSA-N 2 0 253.434 2.066 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850922 179358439 /nfs/dbraw/zinc/35/84/39/179358439.db2.gz TWOAXHZXWVXLHX-MRXNPFEDSA-N 2 0 273.424 2.471 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000086850968 179359069 /nfs/dbraw/zinc/35/90/69/179359069.db2.gz WVRPFLVFRAOALL-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP [NH3+]C[C@]1([N@@H+]2CCCc3ccccc3C2)CCCOCC1 ZINC000086875758 179365553 /nfs/dbraw/zinc/36/55/53/179365553.db2.gz ZTUGCOZQLORUCG-KRWDZBQOSA-N 2 0 274.408 2.333 10 0 CEAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCC[C@H](C)CC2)CC1 ZINC000086890463 179366322 /nfs/dbraw/zinc/36/63/22/179366322.db2.gz MPGGXKYQANDNQC-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC1(C)CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086912019 179366798 /nfs/dbraw/zinc/36/67/98/179366798.db2.gz IBLPOYNWRHVJBC-KRWDZBQOSA-N 2 0 279.472 2.454 10 0 CEAERP CC[NH+]1CCN([C@@]2(C[NH3+])CCCC(C)(C)CC2)CC1 ZINC000086910445 179367140 /nfs/dbraw/zinc/36/71/40/179367140.db2.gz CASSCILLDIYDGA-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917012 179367670 /nfs/dbraw/zinc/36/76/70/179367670.db2.gz GIPZLFBYJCEEBD-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087048478 179388331 /nfs/dbraw/zinc/38/83/31/179388331.db2.gz SDGCPFAPSBNNKP-CQSZACIVSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)[NH+](CCNC(=O)CCC(C)(C)CC[NH3+])C(C)C ZINC000087681981 179469724 /nfs/dbraw/zinc/46/97/24/179469724.db2.gz QRMNBODQSHVWOC-UHFFFAOYSA-N 2 0 285.476 2.377 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([NH2+]C[C@@H]2CCCO2)CC1 ZINC000087928286 179524441 /nfs/dbraw/zinc/52/44/41/179524441.db2.gz XPSNIGFQMDCBHL-ILXRZTDVSA-N 2 0 254.418 2.443 10 0 CEAERP C(C[NH2+][C@@H]1CCC[NH2+]CC1)COC1CCCCC1 ZINC000128916045 187398720 /nfs/dbraw/zinc/39/87/20/187398720.db2.gz DDIRYKLQSVMLNC-CQSZACIVSA-N 2 0 254.418 2.458 10 0 CEAERP COCc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000088569424 179627402 /nfs/dbraw/zinc/62/74/02/179627402.db2.gz APTQJIKXUSFBCF-CQSZACIVSA-N 2 0 262.397 2.394 10 0 CEAERP COc1ccc(F)cc1C[N@H+](C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112396 179707490 /nfs/dbraw/zinc/70/74/90/179707490.db2.gz FTMIIWISFWBDJW-BXUZGUMPSA-N 2 0 266.360 2.394 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400514771 233179355 /nfs/dbraw/zinc/17/93/55/233179355.db2.gz MSNGGJAWHOBMSO-BFYDXBDKSA-N 2 0 275.440 2.095 10 0 CEAERP C[C@H]1CCC[C@](C[NH2+]C2CC2)(C[NH+]2CCC(O)CC2)C1 ZINC000089612942 179830134 /nfs/dbraw/zinc/83/01/34/179830134.db2.gz OILZBCWIUSWOMA-YOEHRIQHSA-N 2 0 280.456 2.392 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCCC[C@@H]1CC ZINC000090566096 180005901 /nfs/dbraw/zinc/00/59/01/180005901.db2.gz DGCPYEGTTODRSW-SOUVJXGZSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@H+](CCC[C@H]1CCCO1)CC[C@@H]1CCCC[NH2+]1 ZINC000090693322 180025166 /nfs/dbraw/zinc/02/51/66/180025166.db2.gz UZMQOVQOQIIPOB-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP C[C@H](C(=O)N1CCCCCC1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693452 180025476 /nfs/dbraw/zinc/02/54/76/180025476.db2.gz SONAWNQXPPXGLM-CVEARBPZSA-N 2 0 295.471 2.242 10 0 CEAERP CCCCCNC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694180 180026432 /nfs/dbraw/zinc/02/64/32/180026432.db2.gz FPZMEAXIMHOVDF-CQSZACIVSA-N 2 0 283.460 2.003 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090874077 180050369 /nfs/dbraw/zinc/05/03/69/180050369.db2.gz LERCXNJWZKCIQW-AWEZNQCLSA-N 2 0 292.448 2.146 10 0 CEAERP C[NH+](C)CCCC[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892622 180055512 /nfs/dbraw/zinc/05/55/12/180055512.db2.gz LTFIUDWSJKOJRH-CQSZACIVSA-N 2 0 266.360 2.061 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894270 180056307 /nfs/dbraw/zinc/05/63/07/180056307.db2.gz YLUWGVQHWWLCHF-DKUMPPAJSA-N 2 0 276.355 2.083 10 0 CEAERP C[N@H+](C[C@@H]1Cc2cc(Cl)ccc2O1)C1CC[NH2+]CC1 ZINC000090900029 180059029 /nfs/dbraw/zinc/05/90/29/180059029.db2.gz ZWAQKMBLJQTUOL-AWEZNQCLSA-N 2 0 280.799 2.327 10 0 CEAERP CC[NH+]1CCC(C[NH2+]Cc2c[nH]c3ncccc23)CC1 ZINC000091017676 180086918 /nfs/dbraw/zinc/08/69/18/180086918.db2.gz NFIGHWLQRMWKIT-UHFFFAOYSA-N 2 0 272.396 2.384 10 0 CEAERP [NH3+]CC1([C@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000669377311 539760366 /nfs/dbraw/zinc/76/03/66/539760366.db2.gz MFRCVYPPRCNEIK-KRWDZBQOSA-N 2 0 274.408 2.143 10 0 CEAERP CCN(CC)C(=O)C[C@@H](CN)[NH+]1CCC(C)(CC)CC1 ZINC000091322906 180134619 /nfs/dbraw/zinc/13/46/19/180134619.db2.gz SMHRQOYXAJPQRP-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP C[NH+](C)C1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362324 180141805 /nfs/dbraw/zinc/14/18/05/180141805.db2.gz QGTPHJYBPMEULT-ZOBUZTSGSA-N 2 0 279.472 2.323 10 0 CEAERP CCC(CC)[N@H+](CCOC)CC[C@H]1CSCC[NH2+]1 ZINC000091292162 180123578 /nfs/dbraw/zinc/12/35/78/180123578.db2.gz XEZRKSHRHPMULJ-ZDUSSCGKSA-N 2 0 274.474 2.219 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000091427989 180153187 /nfs/dbraw/zinc/15/31/87/180153187.db2.gz DIPVWDHGMPJIGW-QWRGUYRKSA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091431872 180153832 /nfs/dbraw/zinc/15/38/32/180153832.db2.gz RQCRWBWUVHBQLU-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CN(C)[C@@H]1CCC[N@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000091449222 180157529 /nfs/dbraw/zinc/15/75/29/180157529.db2.gz PBVCVPKJGBOXTI-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[N@H+](CC1CC(O)C1)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000091451682 180159049 /nfs/dbraw/zinc/15/90/49/180159049.db2.gz RTZKLCHSGJRDII-KVDYFSNESA-N 2 0 282.472 2.479 10 0 CEAERP CSC1(C[NH3+])CC[NH+](CCOc2ccccc2)CC1 ZINC000091471884 180165136 /nfs/dbraw/zinc/16/51/36/180165136.db2.gz RJFYIDNFTFLPMM-UHFFFAOYSA-N 2 0 280.437 2.222 10 0 CEAERP CSC1(C[NH3+])CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091475568 180165921 /nfs/dbraw/zinc/16/59/21/180165921.db2.gz HQVJIOKSTMTCQQ-UHFFFAOYSA-N 2 0 268.401 2.482 10 0 CEAERP CCC[C@@](C)(C[NH2+]C(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091491131 180170258 /nfs/dbraw/zinc/17/02/58/180170258.db2.gz CLNHUPJUDXYUID-GPANFISMSA-N 2 0 270.461 2.494 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091394476 180146566 /nfs/dbraw/zinc/14/65/66/180146566.db2.gz JZBIWBQPRPGYQH-FXUDXRNXSA-N 2 0 267.461 2.309 10 0 CEAERP CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091519804 180177914 /nfs/dbraw/zinc/17/79/14/180177914.db2.gz NLJVNCBJOVLMTG-NVXWUHKLSA-N 2 0 276.424 2.403 10 0 CEAERP CC[NH2+][C@H](C1CCOCC1)C(C)(C)[NH+]1CCCC1 ZINC000091535085 180182191 /nfs/dbraw/zinc/18/21/91/180182191.db2.gz CBNQEVGAFHLPPI-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000091548864 180188410 /nfs/dbraw/zinc/18/84/10/180188410.db2.gz CPCBRSSPTQVZBP-HUUCEWRRSA-N 2 0 287.407 2.348 10 0 CEAERP CCC(CC)([C@@H]([NH2+]C)[C@H]1CCOC1)[NH+]1CCCC1 ZINC000091635073 180211157 /nfs/dbraw/zinc/21/11/57/180211157.db2.gz ZJPDSAWEYIUWRM-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cccnc1N ZINC000091716834 180231928 /nfs/dbraw/zinc/23/19/28/180231928.db2.gz IWOKZFWRUWJTDL-HNNXBMFYSA-N 2 0 278.444 2.306 10 0 CEAERP CCC1CCC([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720785 180235995 /nfs/dbraw/zinc/23/59/95/180235995.db2.gz XCGRWYYOCQWLMO-NCOXYXGASA-N 2 0 266.429 2.393 10 0 CEAERP CC[NH2+][C@@H](C)c1cccn1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000091802147 180259149 /nfs/dbraw/zinc/25/91/49/180259149.db2.gz BICMHBUCVDQMRO-LSDHHAIUSA-N 2 0 279.428 2.268 10 0 CEAERP CCCCNC(=O)[C@H](C)[N@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852526 180273042 /nfs/dbraw/zinc/27/30/42/180273042.db2.gz WHMSFHCFGQSDCB-NFOMZHRRSA-N 2 0 283.460 2.273 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852380 180273141 /nfs/dbraw/zinc/27/31/41/180273141.db2.gz LCIKAQOERLHGJK-IYXRBSQSSA-N 2 0 283.460 2.272 10 0 CEAERP CC[N@H+]([C@@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091849639 180271291 /nfs/dbraw/zinc/27/12/91/180271291.db2.gz FCMVYJNYYDRGQR-YMAMQOFZSA-N 2 0 253.434 2.061 10 0 CEAERP CC[N@H+](CC(=O)Nc1cccc(F)c1)C1CCC([NH3+])CC1 ZINC000091851094 180272146 /nfs/dbraw/zinc/27/21/46/180272146.db2.gz ZFHSCROCSOEWMF-UHFFFAOYSA-N 2 0 293.386 2.356 10 0 CEAERP C[NH2+]C1CCC(N(C)C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000091872278 180277968 /nfs/dbraw/zinc/27/79/68/180277968.db2.gz UJVSUQWKUKCMRS-QHSYURCPSA-N 2 0 295.471 2.237 10 0 CEAERP CC[C@H]1CC[C@@](C[NH3+])(C2(O)CC[NH+](C(C)C)CC2)C1 ZINC000091906412 180283979 /nfs/dbraw/zinc/28/39/79/180283979.db2.gz JSFXOZWHFLKMAI-LSDHHAIUSA-N 2 0 268.445 2.377 10 0 CEAERP CCC[NH2+][C@@H](C)c1cccn1C[C@H]1C[N@H+](CC)CCO1 ZINC000092060277 180315161 /nfs/dbraw/zinc/31/51/61/180315161.db2.gz RNMVYLOUGRTVKI-LSDHHAIUSA-N 2 0 279.428 2.269 10 0 CEAERP C[NH2+]Cc1c(C)cc(C)nc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003346 180304367 /nfs/dbraw/zinc/30/43/67/180304367.db2.gz NNSIXSSQRFDKGQ-CABCVRRESA-N 2 0 288.439 2.091 10 0 CEAERP CC[NH2+]CCCCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003539 180304759 /nfs/dbraw/zinc/30/47/59/180304759.db2.gz PFRUKXUNIZMSAA-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H]1C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000092082171 180319652 /nfs/dbraw/zinc/31/96/52/180319652.db2.gz KORMHJBRMZRMBG-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP [NH3+]CC1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092262865 180354779 /nfs/dbraw/zinc/35/47/79/180354779.db2.gz QJVNTXZLUHSFJG-AWEZNQCLSA-N 2 0 262.422 2.374 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2CSc3ccccc32)C1 ZINC000092274902 180356810 /nfs/dbraw/zinc/35/68/10/180356810.db2.gz FMMZCESBQHMAMF-CHWSQXEVSA-N 2 0 262.422 2.417 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1COc2ccccc21 ZINC000092299092 180358546 /nfs/dbraw/zinc/35/85/46/180358546.db2.gz OWRDQAOZWIVEDO-CYBMUJFWSA-N 2 0 262.397 2.340 10 0 CEAERP CC[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302671 180359267 /nfs/dbraw/zinc/35/92/67/180359267.db2.gz AZPUGXIHNJPWOH-HUUCEWRRSA-N 2 0 274.408 2.484 10 0 CEAERP Cc1nn(CC[NH+](C)C)c(C)c1C[C@@H](C)C[NH2+]C(C)C ZINC000092322992 180362476 /nfs/dbraw/zinc/36/24/76/180362476.db2.gz BDDVPUJZMISSQH-CYBMUJFWSA-N 2 0 280.460 2.238 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2sccc2C)CC[N@@H+]1C ZINC000107919715 186197449 /nfs/dbraw/zinc/19/74/49/186197449.db2.gz SXWHXULIQPPVRV-STQMWFEESA-N 2 0 267.442 2.082 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000092622043 180416409 /nfs/dbraw/zinc/41/64/09/180416409.db2.gz OTJGTRARQZUBKA-PVAVHDDUSA-N 2 0 275.440 2.409 10 0 CEAERP CCC[NH2+][C@H](CC)Cc1nc(CC[NH+](CC)CC)no1 ZINC000109496189 186256343 /nfs/dbraw/zinc/25/63/43/186256343.db2.gz JZVNOWJHSFEBDO-CYBMUJFWSA-N 2 0 282.432 2.275 10 0 CEAERP CC[NH2+][C@H](C)[C@H](CC)c1nc(CC[NH+](CC)CC)no1 ZINC000109496133 186256916 /nfs/dbraw/zinc/25/69/16/186256916.db2.gz FMXPELBKZOQTGF-OLZOCXBDSA-N 2 0 282.432 2.446 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603646 186266850 /nfs/dbraw/zinc/26/68/50/186266850.db2.gz IDBJRDZZUWWQAJ-BPLDGKMQSA-N 2 0 282.428 2.025 10 0 CEAERP Cc1ccc2c(ccn2CC[NH2+]CCC[NH+](C)C)c1 ZINC000110523701 186301247 /nfs/dbraw/zinc/30/12/47/186301247.db2.gz UQBOIBVMOIYUCM-UHFFFAOYSA-N 2 0 259.397 2.491 10 0 CEAERP CC[C@@H]1CN([C@@H](CC[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000110706033 186313761 /nfs/dbraw/zinc/31/37/61/186313761.db2.gz NPSAMOYHPKRBPY-CVEARBPZSA-N 2 0 261.413 2.103 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110701441 186313974 /nfs/dbraw/zinc/31/39/74/186313974.db2.gz DKQQHPKWDDWGKG-YWPYICTPSA-N 2 0 281.831 2.364 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccc(OC)cc2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703794 186314340 /nfs/dbraw/zinc/31/43/40/186314340.db2.gz CKNMOFXRRZGVBY-FRFSOERESA-N 2 0 291.439 2.110 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000110707828 186314345 /nfs/dbraw/zinc/31/43/45/186314345.db2.gz CKMQYXBUWJUSFI-FHERZECASA-N 2 0 267.461 2.166 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110716352 186315465 /nfs/dbraw/zinc/31/54/65/186315465.db2.gz BUHWIPOPIKZZAU-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110717339 186315611 /nfs/dbraw/zinc/31/56/11/186315611.db2.gz JCRKTGOWYGNBMN-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711721 186315636 /nfs/dbraw/zinc/31/56/36/186315636.db2.gz RBOHHCFPSABDNI-MRXNPFEDSA-N 2 0 275.440 2.275 10 0 CEAERP CC[N@@H+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714258 186316149 /nfs/dbraw/zinc/31/61/49/186316149.db2.gz FCHFXNRPJCASRF-XKQJLSEDSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110715237 186316561 /nfs/dbraw/zinc/31/65/61/186316561.db2.gz ZGWBUAUARRXAIT-YESZJQIVSA-N 2 0 275.440 2.491 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N1CC[N@H+](C)[C@@H](C)C1 ZINC000110713588 186316704 /nfs/dbraw/zinc/31/67/04/186316704.db2.gz WYQZRGQCOZOBSB-QGTPRVQTSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110753880 186319934 /nfs/dbraw/zinc/31/99/34/186319934.db2.gz HHGCIECONXGVCY-HNNXBMFYSA-N 2 0 279.428 2.304 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747009 186321589 /nfs/dbraw/zinc/32/15/89/186321589.db2.gz JBEMBINIQDSQCH-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCN(Cc2cc(C[NH2+]C(C)(C)C)no2)C[C@@H]1C ZINC000110752616 186321653 /nfs/dbraw/zinc/32/16/53/186321653.db2.gz OZPYLALAILEIAR-ZDUSSCGKSA-N 2 0 294.443 2.089 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755123 186321784 /nfs/dbraw/zinc/32/17/84/186321784.db2.gz FBRBQQFJJRLWEQ-CQSZACIVSA-N 2 0 255.450 2.035 10 0 CEAERP CC[C@@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753641 186322054 /nfs/dbraw/zinc/32/20/54/186322054.db2.gz FIRIMXMLZMTBAS-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150184 186360522 /nfs/dbraw/zinc/36/05/22/186360522.db2.gz KURAXDFCXCMUDO-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP C[N@@H+](Cc1ccc(F)cc1C[NH3+])C[C@@H]1CCCOC1 ZINC000111157196 186361825 /nfs/dbraw/zinc/36/18/25/186361825.db2.gz AAOMZAQNAXMOIB-LBPRGKRZSA-N 2 0 266.360 2.143 10 0 CEAERP CCOCC[N@H+](CC)Cc1cc(C)c(C[NH2+]C)o1 ZINC000111123863 186355505 /nfs/dbraw/zinc/35/55/05/186355505.db2.gz UCZJZLJSFXQUOT-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CC[NH+](C)C ZINC000111129642 186355801 /nfs/dbraw/zinc/35/58/01/186355801.db2.gz CVAQNIWYKYUNPK-CVEARBPZSA-N 2 0 263.429 2.267 10 0 CEAERP CC(C)Oc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133285 186355934 /nfs/dbraw/zinc/35/59/34/186355934.db2.gz CDDYSXRIQCPHRW-KRWDZBQOSA-N 2 0 293.455 2.357 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000111131684 186355997 /nfs/dbraw/zinc/35/59/97/186355997.db2.gz UCZKTVKHRMZXFY-JTQLQIEISA-N 2 0 275.849 2.285 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CC[NH+](C)C ZINC000111129997 186356105 /nfs/dbraw/zinc/35/61/05/186356105.db2.gz XKOQBFSEBYUZBG-GJZGRUSLSA-N 2 0 267.392 2.098 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000111131597 186356277 /nfs/dbraw/zinc/35/62/77/186356277.db2.gz MZQNQQVZQXEUJF-CQSZACIVSA-N 2 0 269.820 2.223 10 0 CEAERP CN(CC[NH+](C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000111135197 186356915 /nfs/dbraw/zinc/35/69/15/186356915.db2.gz RRNLOMZIBWRNOB-MELADBBJSA-N 2 0 255.450 2.022 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@H]1N(C)CC[NH+](C)C ZINC000111135486 186357245 /nfs/dbraw/zinc/35/72/45/186357245.db2.gz DKURWPHEWYPGDV-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H](CN(C)CCC[NH+](C)C)c1cccc(OC)c1 ZINC000111135947 186357943 /nfs/dbraw/zinc/35/79/43/186357943.db2.gz ZYGFWPPBIAIAHD-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN(C)CCC[NH+](C)C ZINC000111147717 186358658 /nfs/dbraw/zinc/35/86/58/186358658.db2.gz NLUPSLXEKSUKEL-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@](C)(C[NH2+]C1CC1)CN(C)CC[NH+](C)C ZINC000111146872 186359009 /nfs/dbraw/zinc/35/90/09/186359009.db2.gz VRWZNENSICAGOV-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCC[C@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171873 186365927 /nfs/dbraw/zinc/36/59/27/186365927.db2.gz IHVGWLXUHXQWEY-KKUMJFAQSA-N 2 0 254.418 2.123 10 0 CEAERP C[N@H+](Cc1cccc(F)c1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111324514 186398113 /nfs/dbraw/zinc/39/81/13/186398113.db2.gz ZXKZCEQMKZRBBX-HNNXBMFYSA-N 2 0 266.360 2.013 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327416 186398232 /nfs/dbraw/zinc/39/82/32/186398232.db2.gz XEGCGUXQXLOQBC-QGZVFWFLSA-N 2 0 298.471 2.020 10 0 CEAERP CCC[N@H+](CC1CC1)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111326721 186398918 /nfs/dbraw/zinc/39/89/18/186398918.db2.gz ODYVUOCREWKAJV-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CN(CCC[NH+](C)C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329884 186399441 /nfs/dbraw/zinc/39/94/41/186399441.db2.gz QDCMHLQCHBNCET-QGZVFWFLSA-N 2 0 299.503 2.055 10 0 CEAERP C[N@@H+]1CCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1(C)C ZINC000111237480 186373820 /nfs/dbraw/zinc/37/38/20/186373820.db2.gz LJJYYCFSVDMGFY-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CCCNC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH2+]CCC)CC1 ZINC000111710091 186449345 /nfs/dbraw/zinc/44/93/45/186449345.db2.gz WZVIJEGCTRXFGY-KGLIPLIRSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N(C)CCC[NH+](C)C ZINC000111762485 186455056 /nfs/dbraw/zinc/45/50/56/186455056.db2.gz YLZMXRNZRAKISH-UHFFFAOYSA-N 2 0 278.444 2.215 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000251253761 539972688 /nfs/dbraw/zinc/97/26/88/539972688.db2.gz UWTPUWTWEDSHBP-QPSCCSFWSA-N 2 0 254.418 2.190 10 0 CEAERP C[N@H+](CCOCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000309884124 539984452 /nfs/dbraw/zinc/98/44/52/539984452.db2.gz KPIJVKMQRBJYMD-INIZCTEOSA-N 2 0 262.397 2.277 10 0 CEAERP c1nc2ccccc2n1CCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000133577219 366237217 /nfs/dbraw/zinc/23/72/17/366237217.db2.gz WIOCQMAKTLTJMR-AWEZNQCLSA-N 2 0 272.396 2.158 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)ccc1Br ZINC000575439533 366287143 /nfs/dbraw/zinc/28/71/43/366287143.db2.gz FEHZKNUEFSJCIR-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575440031 366288126 /nfs/dbraw/zinc/28/81/26/366288126.db2.gz RRSCICIVWBVXFO-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP COCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572612611 299384352 /nfs/dbraw/zinc/38/43/52/299384352.db2.gz LVLJIDWQQFXXDJ-ZIAGYGMSSA-N 2 0 262.397 2.311 10 0 CEAERP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000187820906 369230126 /nfs/dbraw/zinc/23/01/26/369230126.db2.gz JPEKDKKKDQWSSY-GOEBONIOSA-N 2 0 294.414 2.193 10 0 CEAERP C[N@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000231668621 370485187 /nfs/dbraw/zinc/48/51/87/370485187.db2.gz MHGRXQUQKFMQFC-OAHLLOKOSA-N 2 0 293.386 2.228 10 0 CEAERP Cc1cccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231670932 370487742 /nfs/dbraw/zinc/48/77/42/370487742.db2.gz PHDNPKCOUDSLOW-OAHLLOKOSA-N 2 0 262.397 2.448 10 0 CEAERP c1ccc(C[N@H+]2CC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545741 371641922 /nfs/dbraw/zinc/64/19/22/371641922.db2.gz KHJLJPIPOCLPJY-ZWKOTPCHSA-N 2 0 287.451 2.240 10 0 CEAERP COCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261584693 371662271 /nfs/dbraw/zinc/66/22/71/371662271.db2.gz HXTSQLUYRXUONQ-XHSDSOJGSA-N 2 0 260.381 2.002 10 0 CEAERP c1csc(C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000261762619 371724563 /nfs/dbraw/zinc/72/45/63/371724563.db2.gz DAFPTOATRZBWEM-GFCCVEGCSA-N 2 0 265.426 2.322 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cncs2)C[C@H]1c1ccccc1 ZINC000261789738 371732620 /nfs/dbraw/zinc/73/26/20/371732620.db2.gz UVOSELLNWZJORF-HIFRSBDPSA-N 2 0 273.405 2.317 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658573 371696073 /nfs/dbraw/zinc/69/60/73/371696073.db2.gz YWERCUJDMZJNLB-TUKIKUTGSA-N 2 0 280.799 2.388 10 0 CEAERP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000262083958 371821318 /nfs/dbraw/zinc/82/13/18/371821318.db2.gz FRWBSQMJWAAHFE-XHSDSOJGSA-N 2 0 274.408 2.351 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054290162 541878552 /nfs/dbraw/zinc/87/85/52/541878552.db2.gz XYGGBXCVMFOZQB-LSDHHAIUSA-N 2 0 283.460 2.003 10 0 CEAERP Cc1cccc2c(N3CC[NH+](C[C@@H](C)O)CC3)cc[nH+]c12 ZINC000302494083 379382520 /nfs/dbraw/zinc/38/25/20/379382520.db2.gz AVMZMCKXHUIBQU-CQSZACIVSA-N 2 0 285.391 2.046 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCC[N@@H+]1CCCC[C@@H]1C ZINC000085218171 184606261 /nfs/dbraw/zinc/60/62/61/184606261.db2.gz CHKIUPOOEBIZGX-LSDHHAIUSA-N 2 0 256.434 2.392 10 0 CEAERP OC[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000093453232 184677508 /nfs/dbraw/zinc/67/75/08/184677508.db2.gz ALSIXIUJRBPBJB-TWMKSMIVSA-N 2 0 274.408 2.230 10 0 CEAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640436 177835381 /nfs/dbraw/zinc/83/53/81/177835381.db2.gz VQXJRZSLZHWBIH-SJORKVTESA-N 2 0 279.472 2.312 10 0 CEAERP CC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](C)[C@@H](C)C(C)C ZINC000093616916 184696360 /nfs/dbraw/zinc/69/63/60/184696360.db2.gz QNOOUHJNOKIWOI-XHSDSOJGSA-N 2 0 270.461 2.494 10 0 CEAERP CC[NH2+]Cc1nc(COCC(C)(C)[NH+](C)C)cs1 ZINC000093955593 184745561 /nfs/dbraw/zinc/74/55/61/184745561.db2.gz HFFNOQYAPMCZDT-UHFFFAOYSA-N 2 0 271.430 2.109 10 0 CEAERP c1cc(CC[N@H+](CC2CC[NH2+]CC2)C2CC2)ccn1 ZINC000094042815 184751864 /nfs/dbraw/zinc/75/18/64/184751864.db2.gz WDQWMBMHXAJSDC-UHFFFAOYSA-N 2 0 259.397 2.088 10 0 CEAERP CCC[C@H]([NH3+])[C@H](CC)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094459345 184804780 /nfs/dbraw/zinc/80/47/80/184804780.db2.gz GHDYHIBQZKBPDF-AJNGGQMLSA-N 2 0 253.434 2.061 10 0 CEAERP CC[NH2+][C@@H]1[C@H](CN2CCC[C@H]([NH+](C)C)C2)CCC1(C)C ZINC000094319141 184779942 /nfs/dbraw/zinc/77/99/42/184779942.db2.gz YILDORIIBJFHCB-HRCADAONSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+]([C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094413757 184794230 /nfs/dbraw/zinc/79/42/30/184794230.db2.gz DJKOMUNEVPOQOK-IRXDYDNUSA-N 2 0 296.455 2.035 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000094699525 184842703 /nfs/dbraw/zinc/84/27/03/184842703.db2.gz ALUILYVXJONQRY-HUUCEWRRSA-N 2 0 285.476 2.090 10 0 CEAERP CCC[NH2+][C@H](C[C@@H]1COCC[C@@H]1[NH3+])c1ccoc1 ZINC000094870134 184883873 /nfs/dbraw/zinc/88/38/73/184883873.db2.gz TUOYNHNFRBUOMV-HZSPNIEDSA-N 2 0 252.358 2.074 10 0 CEAERP Cc1c[nH+]ccc1N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000070489877 134950720 /nfs/dbraw/zinc/95/07/20/134950720.db2.gz WIORLJUZTMANPM-OAHLLOKOSA-N 2 0 253.349 2.280 10 0 CEAERP Cc1cc(N2CCC([NH+]3CCCCC3)CC2)[nH+]cc1N ZINC000092026805 135075273 /nfs/dbraw/zinc/07/52/73/135075273.db2.gz PACFSHYXXRKBTK-UHFFFAOYSA-N 2 0 274.412 2.427 10 0 CEAERP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000093463212 135080872 /nfs/dbraw/zinc/08/08/72/135080872.db2.gz IBJAQKHMIZMEPH-GDBMZVCRSA-N 2 0 288.439 2.171 10 0 CEAERP [NH3+]Cc1ccc(Cl)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094438315 135087555 /nfs/dbraw/zinc/08/75/55/135087555.db2.gz MWFWUYBAENOQCU-CQSZACIVSA-N 2 0 279.815 2.473 10 0 CEAERP C[C@@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000306778920 394518098 /nfs/dbraw/zinc/51/80/98/394518098.db2.gz SMQPPMIXJOBFIE-KYHPRHEASA-N 2 0 287.451 2.332 10 0 CEAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@@H](C)C1 ZINC000261927685 394608997 /nfs/dbraw/zinc/60/89/97/394608997.db2.gz LEHHLRIKAVTNIE-KFWWJZLASA-N 2 0 254.418 2.123 10 0 CEAERP FC1(F)CCCC[C@@H]1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381590738 395175226 /nfs/dbraw/zinc/17/52/26/395175226.db2.gz DMJBUIIYPFPFCU-JHJVBQTASA-N 2 0 258.356 2.496 10 0 CEAERP OCCC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000444570097 395437313 /nfs/dbraw/zinc/43/73/13/395437313.db2.gz GPZVWCALLCKZJL-OAHLLOKOSA-N 2 0 254.418 2.099 10 0 CEAERP CC(=[NH2+])N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000307731163 400340339 /nfs/dbraw/zinc/34/03/39/400340339.db2.gz MHPWVHQAWVACKK-OWCLPIDISA-N 2 0 257.381 2.484 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c(OC)c1 ZINC000251510286 286370708 /nfs/dbraw/zinc/37/07/08/286370708.db2.gz ICPJFFRSRNIRHO-HUBLWGQQSA-N 2 0 278.396 2.482 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2OCC)CC1 ZINC000020179692 171044162 /nfs/dbraw/zinc/04/41/62/171044162.db2.gz PFOOALLHUXKARY-INIZCTEOSA-N 2 0 291.439 2.113 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000020179480 171044447 /nfs/dbraw/zinc/04/44/47/171044447.db2.gz PAGYUBWFILYICZ-INIZCTEOSA-N 2 0 261.413 2.022 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362576 171161730 /nfs/dbraw/zinc/16/17/30/171161730.db2.gz QMGJZTUQCBXKHY-OAHLLOKOSA-N 2 0 279.453 2.046 10 0 CEAERP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365704 171164244 /nfs/dbraw/zinc/16/42/44/171164244.db2.gz VUWZAAHNYOJDQW-LSDHHAIUSA-N 2 0 285.476 2.343 10 0 CEAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc2c(c1)CCCC2 ZINC000020401605 171181422 /nfs/dbraw/zinc/18/14/22/171181422.db2.gz SGQLRYWHRABPCL-HNNXBMFYSA-N 2 0 262.397 2.223 10 0 CEAERP Cc1ccc(C)c(OC[C@H](CC[NH3+])[NH+](C)C)c1C ZINC000020401589 171181850 /nfs/dbraw/zinc/18/18/50/171181850.db2.gz MYQPJASLMRRLNR-AWEZNQCLSA-N 2 0 250.386 2.270 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022168136 171366972 /nfs/dbraw/zinc/36/69/72/171366972.db2.gz RJUUXPFRPRLSME-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2c(C)cc(C)cc2C)CC1 ZINC000022217246 171376218 /nfs/dbraw/zinc/37/62/18/171376218.db2.gz QHERCRVULGITMQ-MRXNPFEDSA-N 2 0 275.440 2.249 10 0 CEAERP CCOc1ccccc1[C@H]([NH3+])CN(C)C1CC[NH+](C)CC1 ZINC000023068787 171409718 /nfs/dbraw/zinc/40/97/18/171409718.db2.gz DEQFNVOLINVFKV-MRXNPFEDSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH+](CC)CCOc1cccc(C[C@@H](C)[NH3+])c1 ZINC000037726518 173644973 /nfs/dbraw/zinc/64/49/73/173644973.db2.gz LBVYAHHSEAMESY-CYBMUJFWSA-N 2 0 250.386 2.297 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cscn1)C2 ZINC000040505530 174301595 /nfs/dbraw/zinc/30/15/95/174301595.db2.gz DOLHWBOYOPBYQU-VGPLMAKISA-N 2 0 251.399 2.106 10 0 CEAERP CCCCCC[C@@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508117 174303108 /nfs/dbraw/zinc/30/31/08/174303108.db2.gz HIWSJLGNRVOWGK-HZPDHXFCSA-N 2 0 295.471 2.242 10 0 CEAERP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000040593170 174347610 /nfs/dbraw/zinc/34/76/10/174347610.db2.gz MJXYWSBDWWBOAI-AWEZNQCLSA-N 2 0 262.397 2.440 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670613 174368941 /nfs/dbraw/zinc/36/89/41/174368941.db2.gz DZWYLYFBMTUBQT-NVXWUHKLSA-N 2 0 297.487 2.391 10 0 CEAERP C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717006 174384678 /nfs/dbraw/zinc/38/46/78/174384678.db2.gz KRKKMIDNMXLYFU-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP COc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000040749249 174393770 /nfs/dbraw/zinc/39/37/70/174393770.db2.gz UFFXSJHLISXRMU-AGUYFDCRSA-N 2 0 276.380 2.158 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+]1CCCCCC1)C2 ZINC000040767056 174398341 /nfs/dbraw/zinc/39/83/41/174398341.db2.gz MQXIIONGLLHPRL-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](CC)CC1 ZINC000043341068 175015468 /nfs/dbraw/zinc/01/54/68/175015468.db2.gz SJIKMBFPUDCXDF-NVXWUHKLSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)C1CC[NH+](CC)CC1 ZINC000043341064 175015514 /nfs/dbraw/zinc/01/55/14/175015514.db2.gz SJIKMBFPUDCXDF-WBVHZDCISA-N 2 0 290.455 2.276 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2C)CC1 ZINC000043805339 175107530 /nfs/dbraw/zinc/10/75/30/175107530.db2.gz LOFUNDBMOUSMTJ-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP CCC[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH2+]CC)CC1 ZINC000043805479 175107875 /nfs/dbraw/zinc/10/78/75/175107875.db2.gz CNLAOPJMBQLTNK-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810468 175109551 /nfs/dbraw/zinc/10/95/51/175109551.db2.gz UDCSXEBFCHPGGX-SQNIBIBYSA-N 2 0 287.451 2.158 10 0 CEAERP CC[NH2+][C@H](C)CCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817811 175113169 /nfs/dbraw/zinc/11/31/69/175113169.db2.gz SOTKNUQQXJPEIK-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897210 175120122 /nfs/dbraw/zinc/12/01/22/175120122.db2.gz WYRKVOVEBFGDFA-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897056 175120151 /nfs/dbraw/zinc/12/01/51/175120151.db2.gz UUDREJYXVLVRRE-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907704 175123454 /nfs/dbraw/zinc/12/34/54/175123454.db2.gz QZXCQIZIFMGALP-CVEARBPZSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967929 175129173 /nfs/dbraw/zinc/12/91/73/175129173.db2.gz VLFWGSKJUYIYDX-IAGOWNOFSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967804 175129176 /nfs/dbraw/zinc/12/91/76/175129176.db2.gz RFEMBMIOBKZNPK-HOTGVXAUSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970673 175131719 /nfs/dbraw/zinc/13/17/19/175131719.db2.gz KSXDCSRJINIECJ-XIRDDKMYSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045113991 175310917 /nfs/dbraw/zinc/31/09/17/175310917.db2.gz JBFZYUFFIMZWJM-CHWSQXEVSA-N 2 0 292.427 2.429 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371654 175364151 /nfs/dbraw/zinc/36/41/51/175364151.db2.gz XTRMEVGKPRYRAL-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC(C)[NH2+][C@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377476 175367004 /nfs/dbraw/zinc/36/70/04/175367004.db2.gz FKUYJOONJBZATD-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379619 175368047 /nfs/dbraw/zinc/36/80/47/175368047.db2.gz IBLIUIHYCZUBQN-DZKIICNBSA-N 2 0 283.460 2.273 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383723 175370707 /nfs/dbraw/zinc/37/07/07/175370707.db2.gz WMTQOTDOEAQLFA-OAHLLOKOSA-N 2 0 271.449 2.129 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045387501 175372952 /nfs/dbraw/zinc/37/29/52/175372952.db2.gz GQOHNLJCUFKUAT-INIZCTEOSA-N 2 0 281.444 2.027 10 0 CEAERP CCCCC[N@H+](C)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045387925 175374053 /nfs/dbraw/zinc/37/40/53/175374053.db2.gz JWOJGXGOFCEFHB-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391455 175374598 /nfs/dbraw/zinc/37/45/98/175374598.db2.gz YSFXCKOFNARDSF-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[C@H]1C[C@H]([N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CCO1 ZINC000070368491 175897667 /nfs/dbraw/zinc/89/76/67/175897667.db2.gz RGEYUJTXSGYVJW-BARDWOONSA-N 2 0 254.418 2.393 10 0 CEAERP CO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275393 415666209 /nfs/dbraw/zinc/66/62/09/415666209.db2.gz JRZFTABWKJIGHE-BPLDGKMQSA-N 2 0 254.418 2.169 10 0 CEAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000665275395 415666454 /nfs/dbraw/zinc/66/64/54/415666454.db2.gz JRZFTABWKJIGHE-VHDGCEQUSA-N 2 0 254.418 2.169 10 0 CEAERP CCOCC[N@H+](CC)C[C@@H](C[NH3+])c1ccccc1 ZINC000070943295 176015846 /nfs/dbraw/zinc/01/58/46/176015846.db2.gz UMEUOVLAXZRTNX-OAHLLOKOSA-N 2 0 250.386 2.087 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)C2CC[NH+](C)CC2)C1 ZINC000071122752 176034928 /nfs/dbraw/zinc/03/49/28/176034928.db2.gz MVOIRKVSRRQUSV-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])([N@H+](CCOC)C2CC2)C1 ZINC000071123985 176035039 /nfs/dbraw/zinc/03/50/39/176035039.db2.gz HWJPUQGDPCVPBB-ZFWWWQNUSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](CCOC)C2CC2)C1 ZINC000071123977 176035170 /nfs/dbraw/zinc/03/51/70/176035170.db2.gz HWJPUQGDPCVPBB-UKRRQHHQSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071124898 176035360 /nfs/dbraw/zinc/03/53/60/176035360.db2.gz VPJWFKMYOKBSKO-BZUAXINKSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@H]1CCC[C@H]([NH+]2CCN(CCCCC[NH3+])CC2)C1 ZINC000071147466 176043543 /nfs/dbraw/zinc/04/35/43/176043543.db2.gz DFGUEQGLJWGHKJ-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H](C[C@@H](C)CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148932 176044784 /nfs/dbraw/zinc/04/47/84/176044784.db2.gz YCRUNDUMMIARFS-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000071161859 176046370 /nfs/dbraw/zinc/04/63/70/176046370.db2.gz UBYOOEPWPAMBJI-GOEBONIOSA-N 2 0 265.445 2.064 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188117 176062687 /nfs/dbraw/zinc/06/26/87/176062687.db2.gz QQXUANWICXTBTG-XYPHTWIQSA-N 2 0 293.430 2.488 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188138 176062964 /nfs/dbraw/zinc/06/29/64/176062964.db2.gz XHYWZQVXYGIQAM-YCPHGPKFSA-N 2 0 279.428 2.250 10 0 CEAERP C[NH2+][C@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189401 176064584 /nfs/dbraw/zinc/06/45/84/176064584.db2.gz OIFQXMGZJFLCGW-CHWSQXEVSA-N 2 0 279.403 2.494 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191401 176069605 /nfs/dbraw/zinc/06/96/05/176069605.db2.gz OYVKOTMVUPMOHS-IKGGRYGDSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191642 176069786 /nfs/dbraw/zinc/06/97/86/176069786.db2.gz VUQGPMKBXRVUSZ-OAHLLOKOSA-N 2 0 290.455 2.196 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191416 176070636 /nfs/dbraw/zinc/07/06/36/176070636.db2.gz LDCQJEACHZGACX-JZXOWHBKSA-N 2 0 289.467 2.467 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191945 176071565 /nfs/dbraw/zinc/07/15/65/176071565.db2.gz DPOYKBRRODNOCV-AWEZNQCLSA-N 2 0 279.428 2.081 10 0 CEAERP CC(C)[NH2+]Cc1nc(CN(C)C[C@H]2CC[N@H+](C)C2)cs1 ZINC000071192015 176071971 /nfs/dbraw/zinc/07/19/71/176071971.db2.gz YSYCMTWHYYAUEO-ZDUSSCGKSA-N 2 0 296.484 2.025 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1 ZINC000071200837 176077577 /nfs/dbraw/zinc/07/75/77/176077577.db2.gz BMEVEMFSEJWZIK-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H](CN1CCC[C@H]([NH2+]C2CC2)C1)[NH+]1CCCCC1 ZINC000071201186 176077883 /nfs/dbraw/zinc/07/78/83/176077883.db2.gz YMJYMNYVCXUEFI-HOCLYGCPSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200577 176077907 /nfs/dbraw/zinc/07/79/07/176077907.db2.gz IJKWYEBEPNQQSH-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP COCCN(CCC(N)=[NH2+])c1cc[nH+]c2ccccc21 ZINC000071229482 176091172 /nfs/dbraw/zinc/09/11/72/176091172.db2.gz UHFWPCXTXOZVEV-UHFFFAOYSA-N 2 0 272.352 2.014 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263414 176096735 /nfs/dbraw/zinc/09/67/35/176096735.db2.gz AQUJKJQTPLIDKP-UHFFFAOYSA-N 3 0 279.403 2.058 10 0 CEAERP [NH3+]Cc1cc(F)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000071263620 176096869 /nfs/dbraw/zinc/09/68/69/176096869.db2.gz VYEBSGZDJFWSPH-UHFFFAOYSA-N 2 0 291.414 2.345 10 0 CEAERP C[N@H+](CCCCCC[NH2+]C1CC1)C1CCOCC1 ZINC000071288153 176110695 /nfs/dbraw/zinc/11/06/95/176110695.db2.gz WBYLOEVBNVOMBC-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1N(C)CC[NH+](C)C ZINC000079626251 177528847 /nfs/dbraw/zinc/52/88/47/177528847.db2.gz IGQDBHZLVLWQPJ-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)C1CCN(C[C@H]2CC(C)(C)CC[C@@H]2[NH3+])CC1 ZINC000079666867 177533740 /nfs/dbraw/zinc/53/37/40/177533740.db2.gz JFTHENSABMEHBL-HIFRSBDPSA-N 2 0 267.461 2.166 10 0 CEAERP COc1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000667007652 419511016 /nfs/dbraw/zinc/51/10/16/419511016.db2.gz JIMAWNAPWNKOFV-UONOGXRCSA-N 2 0 278.396 2.052 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000390529759 262207253 /nfs/dbraw/zinc/20/72/53/262207253.db2.gz LGTCYUSRVDKRHX-ZWKOTPCHSA-N 2 0 287.451 2.383 10 0 CEAERP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247307931 277215613 /nfs/dbraw/zinc/21/56/13/277215613.db2.gz GTWIVWFVWIMDBV-CVEARBPZSA-N 2 0 298.471 2.113 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000245751207 278289400 /nfs/dbraw/zinc/28/94/00/278289400.db2.gz NVCCLYYLUQENGQ-JKSUJKDBSA-N 2 0 280.456 2.367 10 0 CEAERP CCC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245653436 280254932 /nfs/dbraw/zinc/25/49/32/280254932.db2.gz IDWATPKTEDZISZ-CABCVRRESA-N 2 0 270.461 2.447 10 0 CEAERP C[C@@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1 ZINC000258872076 280527335 /nfs/dbraw/zinc/52/73/35/280527335.db2.gz ZWWKPSWKJRUIRB-SECBINFHSA-N 2 0 257.175 2.276 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000423029121 281000466 /nfs/dbraw/zinc/00/04/66/281000466.db2.gz RQWCLDHHDVTCCJ-ODGNXRKOSA-N 2 0 264.413 2.194 10 0 CEAERP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000382827946 321844023 /nfs/dbraw/zinc/84/40/23/321844023.db2.gz WZIJBHVPBGPNKB-HZPDHXFCSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419891 519743839 /nfs/dbraw/zinc/74/38/39/519743839.db2.gz SYQFDSFWESGRRN-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]CC1(C[NH+]2C[C@@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180545 519914008 /nfs/dbraw/zinc/91/40/08/519914008.db2.gz MHQHFGJMSDRMLS-GJZGRUSLSA-N 2 0 268.445 2.371 10 0 CEAERP CC[NH2+]CC1(CN2CC[NH+](CC(C)C)CC2)CCCC1 ZINC000055081780 519914137 /nfs/dbraw/zinc/91/41/37/519914137.db2.gz HDIIDFMWLIRPEG-UHFFFAOYSA-N 2 0 281.488 2.430 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417526 519953663 /nfs/dbraw/zinc/95/36/63/519953663.db2.gz XVANIWHLFFYMTB-JKSUJKDBSA-N 2 0 262.397 2.276 10 0 CEAERP CCC[NH2+][C@@H](C)CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062979082 519987084 /nfs/dbraw/zinc/98/70/84/519987084.db2.gz GJDJASFCESMYLR-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653659 520214047 /nfs/dbraw/zinc/21/40/47/520214047.db2.gz IACGPFGETOZFRR-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](CC)Cc1cccs1 ZINC000062741045 520307454 /nfs/dbraw/zinc/30/74/54/520307454.db2.gz MTNDQGOONUTTOQ-GFCCVEGCSA-N 2 0 256.415 2.324 10 0 CEAERP CC[N@H+](CC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000052180529 520937564 /nfs/dbraw/zinc/93/75/64/520937564.db2.gz BFDCJQTVYKLYKY-UHFFFAOYSA-N 2 0 254.418 2.397 10 0 CEAERP CC[N@H+](CC1CC1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000069239870 520958509 /nfs/dbraw/zinc/95/85/09/520958509.db2.gz BTJDLFYTALSDJO-UHFFFAOYSA-N 2 0 266.429 2.267 10 0 CEAERP CCC(CC)[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052478136 521542785 /nfs/dbraw/zinc/54/27/85/521542785.db2.gz IRRVFZDJYLYCJM-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544080 521567857 /nfs/dbraw/zinc/56/78/57/521567857.db2.gz QMUGCELUQDKTJY-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065510 522130087 /nfs/dbraw/zinc/13/00/87/522130087.db2.gz AUUNBEWLCWEJHZ-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP C([NH2+]C1CC1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000053660171 518398106 /nfs/dbraw/zinc/39/81/06/518398106.db2.gz XVSAVLGEWMJGSJ-HNNXBMFYSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023226 518712801 /nfs/dbraw/zinc/71/28/01/518712801.db2.gz RJZQDZUEQRLQEJ-OAHLLOKOSA-N 2 0 288.439 2.470 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371161 518760769 /nfs/dbraw/zinc/76/07/69/518760769.db2.gz FLJHXTGRXUWIAF-KBPBESRZSA-N 2 0 286.485 2.361 10 0 CEAERP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424989 518766307 /nfs/dbraw/zinc/76/63/07/518766307.db2.gz IZXCWLYMLFPGND-UHFFFAOYSA-N 2 0 293.459 2.432 10 0 CEAERP CC(C)C[C@@H]1CSC(N[C@H](C)CC[NH+](C)C)=[NH+]1 ZINC000049559266 519276350 /nfs/dbraw/zinc/27/63/50/519276350.db2.gz SCIWQYGRWOUEAR-VXGBXAGGSA-N 2 0 257.447 2.434 10 0 CEAERP CC(C)C[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950245 519348790 /nfs/dbraw/zinc/34/87/90/519348790.db2.gz FOIWOSHPFHDYNO-LSDHHAIUSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)=CC[NH+]1CCC(N[C@@H](C)CC[NH+](C)C)CC1 ZINC000049554234 519428646 /nfs/dbraw/zinc/42/86/46/519428646.db2.gz AOZNTAHYOAKSDY-HNNXBMFYSA-N 2 0 267.461 2.347 10 0 CEAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000055146212 519647382 /nfs/dbraw/zinc/64/73/82/519647382.db2.gz NKNNYWFFMOMCLV-CVEARBPZSA-N 2 0 297.487 2.377 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055081802 519726561 /nfs/dbraw/zinc/72/65/61/519726561.db2.gz OLVSXGTVWUGURT-SFHVURJKSA-N 2 0 289.467 2.177 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC000061654220 519726799 /nfs/dbraw/zinc/72/67/99/519726799.db2.gz ATGCUECXRXQIRO-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2c(F)cccc2F)CC1 ZINC000055078560 519727623 /nfs/dbraw/zinc/72/76/23/519727623.db2.gz ZYWMIKJLSUDAKR-HNNXBMFYSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077574 519727777 /nfs/dbraw/zinc/72/77/77/519727777.db2.gz ORTFNNJAIXAZOM-ARFHVFGLSA-N 2 0 267.461 2.024 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000055077140 519728113 /nfs/dbraw/zinc/72/81/13/519728113.db2.gz NGJDRZHWNBGOOM-RDJZCZTQSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069267088 519728663 /nfs/dbraw/zinc/72/86/63/519728663.db2.gz HGCCCCRZGDOSAR-KRWDZBQOSA-N 2 0 273.424 2.105 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000052372484 519729121 /nfs/dbraw/zinc/72/91/21/519729121.db2.gz KNVVYTHVSQFZLA-UHFFFAOYSA-N 2 0 291.439 2.305 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+](CC2CCOCC2)CC1 ZINC000053660879 519743364 /nfs/dbraw/zinc/74/33/64/519743364.db2.gz JSZRAYZNKNHEOY-UHFFFAOYSA-N 2 0 268.445 2.371 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507220 519744546 /nfs/dbraw/zinc/74/45/46/519744546.db2.gz NHLFIHIWZNPGCT-CABCVRRESA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311268 519745021 /nfs/dbraw/zinc/74/50/21/519745021.db2.gz GATVMERHEVJXSE-AWEZNQCLSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478897 519745309 /nfs/dbraw/zinc/74/53/09/519745309.db2.gz RRELIIMOPYCMGK-DLBZAZTESA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654181 519747174 /nfs/dbraw/zinc/74/71/74/519747174.db2.gz MGWQUOXLIWNZMG-QGZVFWFLSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1coc(COCCC[NH+](C)C)c1 ZINC000052672550 519748284 /nfs/dbraw/zinc/74/82/84/519748284.db2.gz IROYDBKXZCBTRQ-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC(C)C[C@@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950243 519776478 /nfs/dbraw/zinc/77/64/78/519776478.db2.gz FOIWOSHPFHDYNO-GJZGRUSLSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477512 519815884 /nfs/dbraw/zinc/81/58/84/519815884.db2.gz KYJBQPDZTOXFPW-HNNXBMFYSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055163214 519846057 /nfs/dbraw/zinc/84/60/57/519846057.db2.gz SPRUYUDYWUIETM-CABCVRRESA-N 2 0 295.471 2.132 10 0 CEAERP CCC[NH+]1CCN(Cc2ccoc2C[NH2+]C(C)C)CC1 ZINC000052421884 519858975 /nfs/dbraw/zinc/85/89/75/519858975.db2.gz FNDQIDYAKAELEU-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000045708844 519885013 /nfs/dbraw/zinc/88/50/13/519885013.db2.gz IKLXFWIERPRXAE-AWEZNQCLSA-N 2 0 285.476 2.378 10 0 CEAERP CCC[NH2+]CCC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082923 519913190 /nfs/dbraw/zinc/91/31/90/519913190.db2.gz YWZHNEPBTMGPOX-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]C[C@@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424430 519923265 /nfs/dbraw/zinc/92/32/65/519923265.db2.gz JYCKFDKOHGWILC-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478886 519937012 /nfs/dbraw/zinc/93/70/12/519937012.db2.gz LECQDWQPDDPIQD-CVEARBPZSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2CC)O1 ZINC000052375337 519937980 /nfs/dbraw/zinc/93/79/80/519937980.db2.gz GXJSFYMCAIORJI-RRFJBIMHSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000061231345 519940614 /nfs/dbraw/zinc/94/06/14/519940614.db2.gz LVRFWXOUUOYFRA-CQSZACIVSA-N 2 0 289.423 2.467 10 0 CEAERP CCC[NH2+]Cc1c(C)nc(CC[NH+](CC)CC)nc1C ZINC000054854212 519942972 /nfs/dbraw/zinc/94/29/72/519942972.db2.gz JMHJAVVFYRYBMH-UHFFFAOYSA-N 2 0 278.444 2.477 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074824 519957712 /nfs/dbraw/zinc/95/77/12/519957712.db2.gz ORGUSVYNTSNMCA-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[NH+]1CCC(OC)CC1 ZINC000052455188 519958727 /nfs/dbraw/zinc/95/87/27/519958727.db2.gz VFXZNMVAFUWYTG-UHFFFAOYSA-N 2 0 266.385 2.390 10 0 CEAERP CCC[NH2+]Cc1nc(CN2CCC[C@H]2C[NH+](C)C)cs1 ZINC000061654728 519967373 /nfs/dbraw/zinc/96/73/73/519967373.db2.gz ZIFNCLOGAXGYJS-AWEZNQCLSA-N 2 0 296.484 2.169 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000052477850 519975199 /nfs/dbraw/zinc/97/51/99/519975199.db2.gz YRTUUXBSABGVES-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](CC)C2)O1 ZINC000052479861 519978371 /nfs/dbraw/zinc/97/83/71/519978371.db2.gz QZKWEAOYRAQXEJ-KFWWJZLASA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1cc(N2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000052063944 519993681 /nfs/dbraw/zinc/99/36/81/519993681.db2.gz SOVLNHXSYZMGMF-UHFFFAOYSA-N 2 0 288.439 2.256 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](CC)CCOC ZINC000052542801 520006069 /nfs/dbraw/zinc/00/60/69/520006069.db2.gz IWYCUNABKFGCKR-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@@H]1CC ZINC000052481644 520009187 /nfs/dbraw/zinc/00/91/87/520009187.db2.gz AVVPAWPOGGTNNR-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1ccccc1OCC[N@H+](CC)CCOC ZINC000052542705 520009470 /nfs/dbraw/zinc/00/94/70/520009470.db2.gz JZCCBPLBGCBSJJ-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]Cc1cn(CC[N@H+](C)C2CCCCCC2)nn1 ZINC000052482064 520012293 /nfs/dbraw/zinc/01/22/93/520012293.db2.gz KARPRBPEVXIROD-UHFFFAOYSA-N 2 0 279.432 2.042 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643762 520020167 /nfs/dbraw/zinc/02/01/67/520020167.db2.gz CUUCVROYUXTJIQ-BZUAXINKSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000053876124 520021129 /nfs/dbraw/zinc/02/11/29/520021129.db2.gz UGOHNUYDUCGYHW-BZUAXINKSA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](CC)[C@@H](C)COC ZINC000052504825 520031235 /nfs/dbraw/zinc/03/12/35/520031235.db2.gz ABXHPYHLIDACDP-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571632 520031454 /nfs/dbraw/zinc/03/14/54/520031454.db2.gz QWJHUJYDRUMJRN-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045600400 520070807 /nfs/dbraw/zinc/07/08/07/520070807.db2.gz RHRILKSWLKAPAQ-AWEZNQCLSA-N 3 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H](CN1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000069073717 520099870 /nfs/dbraw/zinc/09/98/70/520099870.db2.gz ACGAZIHBTWNQAF-ZWKOTPCHSA-N 2 0 287.451 2.363 10 0 CEAERP CCCCCC[C@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000048992173 520133979 /nfs/dbraw/zinc/13/39/79/520133979.db2.gz AQELYWNWSGYTRJ-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC1(C)CC(NC(=O)CCC2CC[NH2+]CC2)CC(C)(C)[NH2+]1 ZINC000050950013 520283408 /nfs/dbraw/zinc/28/34/08/520283408.db2.gz BIBITEPKWRSEMU-UHFFFAOYSA-N 2 0 295.471 2.192 10 0 CEAERP CCCCC[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064790 520291181 /nfs/dbraw/zinc/29/11/81/520291181.db2.gz USVWQZGPLUFCAK-GJZGRUSLSA-N 2 0 255.450 2.310 10 0 CEAERP CCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC[NH2+]C2CC2)C1 ZINC000052372265 520319575 /nfs/dbraw/zinc/31/95/75/520319575.db2.gz LQDYTDUIVYABMZ-DZGCQCFKSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[C@@H](C)[C@H](C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978261 520673081 /nfs/dbraw/zinc/67/30/81/520673081.db2.gz QZXCTAVGULHZBQ-ILXRZTDVSA-N 2 0 255.450 2.166 10 0 CEAERP CC[NH+](CC)Cc1ccccc1CNC(=O)C(C)(C)[NH2+]C ZINC000061318658 520757295 /nfs/dbraw/zinc/75/72/95/520757295.db2.gz WNYZSOXKVNZCAV-UHFFFAOYSA-N 2 0 291.439 2.143 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC[C@H]([NH2+]C)C(C)(C)C)C1 ZINC000062970365 520847461 /nfs/dbraw/zinc/84/74/61/520847461.db2.gz GKNJUFJJHUVEQX-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H](c2ccco2)[C@@H](C)[NH3+])C1 ZINC000062977151 520848912 /nfs/dbraw/zinc/84/89/12/520848912.db2.gz UZIQBWUHNJRPQG-UMVBOHGHSA-N 2 0 265.401 2.084 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2ncc([C@@H](C)[NH3+])s2)C1 ZINC000062975160 520875551 /nfs/dbraw/zinc/87/55/51/520875551.db2.gz FRBFSEGVAHIJEH-MNOVXSKESA-N 2 0 268.430 2.083 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)[C@H](C)COC ZINC000052182335 520937237 /nfs/dbraw/zinc/93/72/37/520937237.db2.gz YLNLDSPXUJTETK-OAHLLOKOSA-N 2 0 286.460 2.138 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C(C)C)no1)[C@H](C)COC ZINC000052504848 521289148 /nfs/dbraw/zinc/28/91/48/521289148.db2.gz ZLCYFRSZXNUKGA-GFCCVEGCSA-N 2 0 269.389 2.029 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C)c(C)o1)[C@@H](C)COC ZINC000052504773 521289557 /nfs/dbraw/zinc/28/95/57/521289557.db2.gz VIRRHLHKSRGJSX-NSHDSACASA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH+]1CCC(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000052206128 521551603 /nfs/dbraw/zinc/55/16/03/521551603.db2.gz REAILHNZAGDYNI-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1occc1C[NH3+] ZINC000052573338 521562237 /nfs/dbraw/zinc/56/22/37/521562237.db2.gz IZIXVEKQJMXPNB-UHFFFAOYSA-N 2 0 254.374 2.375 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CN2CCCC2)CC1 ZINC000049150128 521582060 /nfs/dbraw/zinc/58/20/60/521582060.db2.gz MAIUVULSZHBMSM-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484097 521656055 /nfs/dbraw/zinc/65/60/55/521656055.db2.gz NYUACUDFDWOXOH-HOTGVXAUSA-N 2 0 298.471 2.423 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052544155 521657015 /nfs/dbraw/zinc/65/70/15/521657015.db2.gz LECLOKVIEAIJOA-HNNXBMFYSA-N 2 0 257.466 2.142 10 0 CEAERP CC[NH+]1CCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052422546 521689371 /nfs/dbraw/zinc/68/93/71/521689371.db2.gz BWMHOMADYUINLE-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1c2ccccc2oc1C[NH3+] ZINC000061654398 521869771 /nfs/dbraw/zinc/86/97/71/521869771.db2.gz LRFDXNGSPOWXGF-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP C[NH2+]CC1(C[N@H+](CC(C)C)C(C)C)CCOCC1 ZINC000052197801 521967852 /nfs/dbraw/zinc/96/78/52/521967852.db2.gz UPZCJMXGILZVHD-UHFFFAOYSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)C2CC2)o1 ZINC000052545339 522116759 /nfs/dbraw/zinc/11/67/59/522116759.db2.gz PVTSQZYSKOZVKR-LBPRGKRZSA-N 2 0 266.385 2.246 10 0 CEAERP C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000052543584 522116840 /nfs/dbraw/zinc/11/68/40/522116840.db2.gz JQYKPCFGBRHFAR-ZDUSSCGKSA-N 2 0 262.397 2.405 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)cc1 ZINC000052507584 522117633 /nfs/dbraw/zinc/11/76/33/522117633.db2.gz DCUSFTMJNQLBBM-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[C@H](C[NH2+]C1CC1)N(CC[NH+](C)C)CC(C)C ZINC000052503283 522191542 /nfs/dbraw/zinc/19/15/42/522191542.db2.gz SNRWTCIZMUODPF-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052511777 522221330 /nfs/dbraw/zinc/22/13/30/522221330.db2.gz YZDUJBOXEWVZMG-CYBMUJFWSA-N 2 0 268.401 2.492 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054903703 522456600 /nfs/dbraw/zinc/45/66/00/522456600.db2.gz GCTBCLBUUXZFPM-SNVBAGLBSA-N 2 0 282.457 2.262 10 0 CEAERP CC[C@@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052447635 523173464 /nfs/dbraw/zinc/17/34/64/523173464.db2.gz IVSGLUFHVJCTKG-OAHLLOKOSA-N 2 0 293.459 2.431 10 0 CEAERP CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643433 523186196 /nfs/dbraw/zinc/18/61/96/523186196.db2.gz LJLDEOGESVCHEI-ZJIFWQFVSA-N 2 0 267.461 2.179 10 0 CEAERP COCC[N@H+](C)Cc1cc(C)c(C[NH2+]C(C)C)o1 ZINC000052572994 523619539 /nfs/dbraw/zinc/61/95/39/523619539.db2.gz AHVICYHVTJYQDR-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP COCC[NH+](CCOC)Cc1cc(C[NH2+]C(C)C)oc1C ZINC000052571508 523719656 /nfs/dbraw/zinc/71/96/56/523719656.db2.gz NUJPWKMELKOMBX-UHFFFAOYSA-N 2 0 298.427 2.181 10 0 CEAERP C[N@@H+]1CCCN(c2ncc(C[NH2+]C(C)(C)C)s2)CC1 ZINC000054899103 523811741 /nfs/dbraw/zinc/81/17/41/523811741.db2.gz YPOOMBCZZHCTTB-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055064212 523954298 /nfs/dbraw/zinc/95/42/98/523954298.db2.gz ZAZYEUXTXAIAIS-DOTOQJQBSA-N 2 0 275.440 2.145 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055072419 523954567 /nfs/dbraw/zinc/95/45/67/523954567.db2.gz IFLQDAKJZHDISP-DOTOQJQBSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063802 523957826 /nfs/dbraw/zinc/95/78/26/523957826.db2.gz HEJACUXUUVTISX-JSGCOSHPSA-N 2 0 281.469 2.472 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063634 523957927 /nfs/dbraw/zinc/95/79/27/523957927.db2.gz BUHNIYGRUPGKJQ-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2)CC1 ZINC000055063876 523959475 /nfs/dbraw/zinc/95/94/75/523959475.db2.gz YFMAHRMSCHNOMP-GOEBONIOSA-N 2 0 261.413 2.103 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+][C@@H]1CCCSC1)C2 ZINC000061588817 524031287 /nfs/dbraw/zinc/03/12/87/524031287.db2.gz YBDBDPMVJOAQOV-CPIKKWJDSA-N 2 0 254.443 2.344 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000049554264 524167375 /nfs/dbraw/zinc/16/73/75/524167375.db2.gz VFKQYQAPVYWADX-VXGBXAGGSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000052048830 524260987 /nfs/dbraw/zinc/26/09/87/524260987.db2.gz PFKUPFFEXLBTTG-UHFFFAOYSA-N 2 0 288.439 2.222 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125551 524302532 /nfs/dbraw/zinc/30/25/32/524302532.db2.gz JOKPHYFNVRZQMH-QKPAOTATSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H](CN1CCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049150066 524316161 /nfs/dbraw/zinc/31/61/61/524316161.db2.gz KPYIWOLYELCNQS-OAHLLOKOSA-N 2 0 288.439 2.124 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000062940340 524336487 /nfs/dbraw/zinc/33/64/87/524336487.db2.gz IKYJZNSGXJSACM-BZUAXINKSA-N 2 0 265.445 2.064 10 0 CEAERP C[C@H]1CC[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125526 524380811 /nfs/dbraw/zinc/38/08/11/524380811.db2.gz QZMRSUKXUBXGFQ-VGWMRTNUSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571606 524732487 /nfs/dbraw/zinc/73/24/87/524732487.db2.gz REIGQKBKVIPVJD-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977573 524839172 /nfs/dbraw/zinc/83/91/72/524839172.db2.gz CORBXVCSMNNJRP-ZQIUZPCESA-N 2 0 291.414 2.384 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061642747 525180563 /nfs/dbraw/zinc/18/05/63/525180563.db2.gz JQXYZHAEXLCXGI-HZPDHXFCSA-N 2 0 291.439 2.029 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@]1(CN)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068630056 525647076 /nfs/dbraw/zinc/64/70/76/525647076.db2.gz XTKVHMHPSHCBLD-ZMSDIMECSA-N 2 0 281.488 2.414 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055076063 525856283 /nfs/dbraw/zinc/85/62/83/525856283.db2.gz YRRDLHGNXCQLCQ-UHFFFAOYSA-N 2 0 295.496 2.420 10 0 CEAERP c1cc(C[NH2+]C2CC2)cc(C[NH+]2CCSCC2)c1 ZINC000052425523 526427448 /nfs/dbraw/zinc/42/74/48/526427448.db2.gz KFDZRKNKOMPRBF-UHFFFAOYSA-N 2 0 262.422 2.487 10 0 CEAERP NC(=[NH2+])C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055022533 526816284 /nfs/dbraw/zinc/81/62/84/526816284.db2.gz VURIRHBENCPOER-CABCVRRESA-N 2 0 275.396 2.291 10 0 CEAERP O=C1CCC[C@H]1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062035253 526983336 /nfs/dbraw/zinc/98/33/36/526983336.db2.gz IUFNRJKJVGLYSA-HNNXBMFYSA-N 2 0 264.413 2.163 10 0 CEAERP [NH3+]Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000052060619 527253649 /nfs/dbraw/zinc/25/36/49/527253649.db2.gz GYCZRLWZMJVFSV-UHFFFAOYSA-N 2 0 291.414 2.345 10 0 CEAERP Cc1ncc(C[NH2+]CCC[C@H]2CCCC[NH2+]2)s1 ZINC000050953537 527270818 /nfs/dbraw/zinc/27/08/18/527270818.db2.gz KLVCMDHGHJGUQX-GFCCVEGCSA-N 2 0 253.415 2.463 10 0 CEAERP [NH3+][C@@H]1CCCCC[C@H]1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942088 527341681 /nfs/dbraw/zinc/34/16/81/527341681.db2.gz DODCTBHGJIJLCE-ARFHVFGLSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)(C)C1CCC2(CC1)[NH2+]CCC1(C[NH2+]C1)O2 ZINC000757150280 574510743 /nfs/dbraw/zinc/51/07/43/574510743.db2.gz QNBNQKQFIMFETE-UHFFFAOYSA-N 2 0 252.402 2.271 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757150912 574510775 /nfs/dbraw/zinc/51/07/75/574510775.db2.gz ZHGBAGSWAVAXNU-UHFFFAOYSA-N 2 0 252.402 2.225 10 0 CEAERP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129170890 651857899 /nfs/dbraw/zinc/85/78/99/651857899.db2.gz AGOPKOXJQWRZMM-GJZGRUSLSA-N 2 0 262.397 2.494 10 0 CEAERP [NH3+]C[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000096949612 185139084 /nfs/dbraw/zinc/13/90/84/185139084.db2.gz OESZXCWZYXXBBP-HZPDHXFCSA-N 2 0 260.381 2.016 10 0 CEAERP CCC[C@@H](C(=O)NCCC[NH+](C(C)C)C(C)C)[NH+](C)C ZINC000126753729 365723391 /nfs/dbraw/zinc/72/33/91/365723391.db2.gz NXKOFFXYLCGSTR-HNNXBMFYSA-N 2 0 285.476 2.342 10 0 CEAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NCC3CCCC3)c2)C1 ZINC000114700748 344280858 /nfs/dbraw/zinc/28/08/58/344280858.db2.gz ASNFGXUCTAGINL-AWEZNQCLSA-N 2 0 274.412 2.482 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136193278 344384172 /nfs/dbraw/zinc/38/41/72/344384172.db2.gz LHMLWLNGXSKWOS-GDBMZVCRSA-N 2 0 283.460 2.145 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(c2nccc3ccccc32)CC1 ZINC000136991420 344386985 /nfs/dbraw/zinc/38/69/85/344386985.db2.gz JUKMQPGMXRATBZ-UHFFFAOYSA-N 2 0 284.407 2.096 10 0 CEAERP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000084464477 178892454 /nfs/dbraw/zinc/89/24/54/178892454.db2.gz RDOYREKJLNMWHU-SRABZTEZSA-N 2 0 279.472 2.037 10 0 CEAERP CCOCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403579 179052899 /nfs/dbraw/zinc/05/28/99/179052899.db2.gz BREGTTBGUDBXLF-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085568650 179094969 /nfs/dbraw/zinc/09/49/69/179094969.db2.gz WDJHEDDUSHHSTK-CQSZACIVSA-N 2 0 290.455 2.212 10 0 CEAERP CC(C)c1nc2c(n1[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573517 179099511 /nfs/dbraw/zinc/09/95/11/179099511.db2.gz ONMQWVGRDMPJLJ-ZDUSSCGKSA-N 2 0 276.428 2.309 10 0 CEAERP CCCc1nc2c(n1[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573511 179099749 /nfs/dbraw/zinc/09/97/49/179099749.db2.gz ZKECFDCOBJDWTJ-ZDUSSCGKSA-N 2 0 276.428 2.138 10 0 CEAERP CC[C@@]1(C)C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617111 179104009 /nfs/dbraw/zinc/10/40/09/179104009.db2.gz IMHXMZSMKMFICC-LBPRGKRZSA-N 2 0 282.350 2.419 10 0 CEAERP CCN(CCC[NH+](CC)CC)C(=O)C1CCC([NH3+])CC1 ZINC000230712321 539543489 /nfs/dbraw/zinc/54/34/89/539543489.db2.gz ZTOKVAJONFYHDR-UHFFFAOYSA-N 2 0 283.460 2.084 10 0 CEAERP CC[C@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085614657 179104636 /nfs/dbraw/zinc/10/46/36/179104636.db2.gz ILWRICKBJDFVLJ-NSHDSACASA-N 2 0 268.323 2.029 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@@H]([C@@H](C)CC)C2)CC1 ZINC000086144502 179237571 /nfs/dbraw/zinc/23/75/71/179237571.db2.gz GZSOXJQAUJGFSY-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCC[C@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145771 179239058 /nfs/dbraw/zinc/23/90/58/179239058.db2.gz MWLIFFYIXQJLPX-RDJZCZTQSA-N 2 0 279.472 2.182 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223090 179250541 /nfs/dbraw/zinc/25/05/41/179250541.db2.gz LNBDZICTBDEZMC-PVAVHDDUSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223980 179252877 /nfs/dbraw/zinc/25/28/77/179252877.db2.gz JRVHKGATEFNTHO-HUUCEWRRSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223951 179253190 /nfs/dbraw/zinc/25/31/90/179253190.db2.gz ZFZXVBZHJINOMN-LSDHHAIUSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)C[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224008 179253845 /nfs/dbraw/zinc/25/38/45/179253845.db2.gz DPEHHATZXOFKMK-ZACQAIPSSA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C3CC3)NC[C@@H]2C(C)C)CC1 ZINC000086259150 179258049 /nfs/dbraw/zinc/25/80/49/179258049.db2.gz GEBYWFMLYGTLLP-ZWKOTPCHSA-N 2 0 293.499 2.427 10 0 CEAERP CC(C)C[C@@H]1CN(CCCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086261092 179260189 /nfs/dbraw/zinc/26/01/89/179260189.db2.gz WPNYUGXJJKQMEG-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261033 179260667 /nfs/dbraw/zinc/26/06/67/179260667.db2.gz HVXLCQWBUPARNM-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP c1ccc([C@@H]2CN([C@@H]3C[NH+]4CCC3CC4)CCC[NH2+]2)cc1 ZINC000086285952 179263486 /nfs/dbraw/zinc/26/34/86/179263486.db2.gz KWTXVOQZGDDTII-ZWKOTPCHSA-N 2 0 285.435 2.117 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086291461 179266189 /nfs/dbraw/zinc/26/61/89/179266189.db2.gz PNEONAYHTSYYAM-OAHLLOKOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@@](C)(C3CC3)C2)CC1 ZINC000086291525 179266489 /nfs/dbraw/zinc/26/64/89/179266489.db2.gz FLTUFDBMNMYMCH-QGZVFWFLSA-N 2 0 279.472 2.182 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000086291693 179266745 /nfs/dbraw/zinc/26/67/45/179266745.db2.gz JBNLRPYGMYTSBA-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP O[C@H](C[NH2+]CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000336844360 365918836 /nfs/dbraw/zinc/91/88/36/365918836.db2.gz ZGHHUILKUBXBCT-MRXNPFEDSA-N 2 0 296.842 2.319 10 0 CEAERP CCC[NH+]1CCC(NC2=[NH+]C[C@@H](C)CS2)CC1 ZINC000086633002 179315074 /nfs/dbraw/zinc/31/50/74/179315074.db2.gz DIDZECBQCMOHBU-LLVKDONJSA-N 2 0 255.431 2.189 10 0 CEAERP C[C@@H]1CCC[C@@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000086677103 179319030 /nfs/dbraw/zinc/31/90/30/179319030.db2.gz XCGIHNXESYOSDT-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086819129 179348580 /nfs/dbraw/zinc/34/85/80/179348580.db2.gz YCTSAAIYXODFSR-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP C[N@@H+]1CCC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000086817247 179344995 /nfs/dbraw/zinc/34/49/95/179344995.db2.gz XIIMMWXYRPHOFP-HOTGVXAUSA-N 2 0 291.439 2.490 10 0 CEAERP CC[NH+](CC)CCN[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835483 179349619 /nfs/dbraw/zinc/34/96/19/179349619.db2.gz OVEGNHHFHORFPF-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CCOC1CCN([C@]2(C[NH3+])CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086847416 179356235 /nfs/dbraw/zinc/35/62/35/179356235.db2.gz UDFMOQSOTAQCIN-QGZVFWFLSA-N 2 0 297.487 2.079 10 0 CEAERP CCCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847869 179356610 /nfs/dbraw/zinc/35/66/10/179356610.db2.gz BEJBAPRSBJFLKT-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000086839287 179351010 /nfs/dbraw/zinc/35/10/10/179351010.db2.gz RPAHUFVTSYKXKH-DZGCQCFKSA-N 2 0 276.428 2.262 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000086840470 179352904 /nfs/dbraw/zinc/35/29/04/179352904.db2.gz OZFLDHDCMMMJCJ-GJZGRUSLSA-N 2 0 264.417 2.124 10 0 CEAERP CCN(CC)C(=O)CC[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841069 179354031 /nfs/dbraw/zinc/35/40/31/179354031.db2.gz LMSMEVULXINYMT-OAHLLOKOSA-N 2 0 283.460 2.097 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845894 179354938 /nfs/dbraw/zinc/35/49/38/179354938.db2.gz URCQZSFOZMUPBU-KKUMJFAQSA-N 2 0 254.418 2.002 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCOC2CCCC2)CC1 ZINC000086845145 179355350 /nfs/dbraw/zinc/35/53/50/179355350.db2.gz HUULHGWKEGXLCG-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844133 179355615 /nfs/dbraw/zinc/35/56/15/179355615.db2.gz ZSURIFLKEFWWKH-ZNMIVQPWSA-N 2 0 254.418 2.142 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000086910561 179367176 /nfs/dbraw/zinc/36/71/76/179367176.db2.gz UFVSHQNKMRSUEL-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045874 179388089 /nfs/dbraw/zinc/38/80/89/179388089.db2.gz FQOUEUMMERQGBJ-PCKAHOCUSA-N 2 0 268.445 2.392 10 0 CEAERP C(C[C@H]1CCCO1)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087266422 179406867 /nfs/dbraw/zinc/40/68/67/179406867.db2.gz NDCKHBVFTIGCKJ-HOTGVXAUSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH+](C)C[C@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128894841 187396768 /nfs/dbraw/zinc/39/67/68/187396768.db2.gz IOGUZKWLZAWGEC-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP CC(C)[NH2+]Cc1cccc(OC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000088166112 179561041 /nfs/dbraw/zinc/56/10/41/179561041.db2.gz FGFNOQOJYMVDKT-HNNXBMFYSA-N 2 0 277.412 2.443 10 0 CEAERP CC1(C)C[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)CC(C)(C)O1 ZINC000675054375 539704230 /nfs/dbraw/zinc/70/42/30/539704230.db2.gz VGMNCNBGPKCAQC-CHWSQXEVSA-N 2 0 254.418 2.393 10 0 CEAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000400529858 233179652 /nfs/dbraw/zinc/17/96/52/233179652.db2.gz RHUVTOCESSPPDG-SGMGOOAPSA-N 2 0 276.380 2.106 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089402259 179782022 /nfs/dbraw/zinc/78/20/22/179782022.db2.gz ULNNNFPLTFFPQL-JKSUJKDBSA-N 3 0 267.461 2.025 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000104412977 185992475 /nfs/dbraw/zinc/99/24/75/185992475.db2.gz LCUSKHRUCOGQBT-CVEARBPZSA-N 2 0 268.445 2.248 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000090566328 180005369 /nfs/dbraw/zinc/00/53/69/180005369.db2.gz NWYMCAOGUZYXKF-DOTOQJQBSA-N 2 0 292.423 2.142 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090873633 180049622 /nfs/dbraw/zinc/04/96/22/180049622.db2.gz ARGVWVZILBHACU-SWLSCSKDSA-N 2 0 260.381 2.049 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874332 180050398 /nfs/dbraw/zinc/05/03/98/180050398.db2.gz MBFIDSATWZUCCB-BBRMVZONSA-N 2 0 272.392 2.064 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879178 180053277 /nfs/dbraw/zinc/05/32/77/180053277.db2.gz PKMLMISBEBAKQB-HNNXBMFYSA-N 2 0 280.387 2.436 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090894309 180055629 /nfs/dbraw/zinc/05/56/29/180055629.db2.gz ATEYGABWDGAWQE-INIZCTEOSA-N 2 0 292.398 2.451 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)O2 ZINC000090897791 180057495 /nfs/dbraw/zinc/05/74/95/180057495.db2.gz JKFXVVHYAHRGNL-HOCLYGCPSA-N 2 0 274.408 2.230 10 0 CEAERP [NH3+]Cc1nc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090932274 180066236 /nfs/dbraw/zinc/06/62/36/180066236.db2.gz QBNIBDBZUONASP-CHWSQXEVSA-N 2 0 259.378 2.248 10 0 CEAERP [NH3+]CC1([C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000669377278 539760052 /nfs/dbraw/zinc/76/00/52/539760052.db2.gz LMYJIFDDMLDMKQ-KRWDZBQOSA-N 2 0 274.408 2.143 10 0 CEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313838 180132903 /nfs/dbraw/zinc/13/29/03/180132903.db2.gz HPAIYXRWZWKSPZ-JTQLQIEISA-N 2 0 274.817 2.212 10 0 CEAERP CC(C)[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000091313881 180133150 /nfs/dbraw/zinc/13/31/50/180133150.db2.gz PVUJOBYEAYZABH-ZDUSSCGKSA-N 2 0 268.426 2.337 10 0 CEAERP C[C@H](c1ccccc1F)[N@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314178 180134036 /nfs/dbraw/zinc/13/40/36/180134036.db2.gz TVPSCFTWIRVESS-CHWSQXEVSA-N 2 0 266.360 2.197 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1cccc(C)c1 ZINC000091322716 180134733 /nfs/dbraw/zinc/13/47/33/180134733.db2.gz BOVMVAYYSHBZLR-INIZCTEOSA-N 2 0 291.439 2.013 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362769 180141916 /nfs/dbraw/zinc/14/19/16/180141916.db2.gz AXMWCERKFLZQLS-QAETUUGQSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490557 180170216 /nfs/dbraw/zinc/17/02/16/180170216.db2.gz UXSNZQSQGADDKF-GYTBAZASSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]([NH3+])C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000091402342 180147072 /nfs/dbraw/zinc/14/70/72/180147072.db2.gz BHRORUUYYBLJEE-OAHLLOKOSA-N 2 0 275.440 2.178 10 0 CEAERP CC(C)(C)[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091519803 180178404 /nfs/dbraw/zinc/17/84/04/180178404.db2.gz NLJVNCBJOVLMTG-WBVHZDCISA-N 2 0 276.424 2.403 10 0 CEAERP CC[N@H+]([C@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091850755 180272394 /nfs/dbraw/zinc/27/23/94/180272394.db2.gz RDKDHBWMFVABMS-DNOWBOINSA-N 2 0 281.444 2.026 10 0 CEAERP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091851103 180272508 /nfs/dbraw/zinc/27/25/08/180272508.db2.gz ZMFPNUFJPCEGAE-SLTXQBBLSA-N 2 0 295.471 2.273 10 0 CEAERP CCC[N@H+](Cc1cn2cccnc2n1)C1CCC([NH3+])CC1 ZINC000091852523 180272724 /nfs/dbraw/zinc/27/27/24/180272724.db2.gz GFEKGMJNRVVSOH-UHFFFAOYSA-N 2 0 287.411 2.211 10 0 CEAERP CCCN1CCC([N@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849945 180271967 /nfs/dbraw/zinc/27/19/67/180271967.db2.gz SPHBRYDEFICWFW-UHFFFAOYSA-N 2 0 267.461 2.453 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CCC(=O)NC(C)C)CC1 ZINC000091870189 180277446 /nfs/dbraw/zinc/27/74/46/180277446.db2.gz NCDISONOZLCHHI-UHFFFAOYSA-N 2 0 283.460 2.144 10 0 CEAERP CC[C@@H]1C[C@H]([N@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871212 180277566 /nfs/dbraw/zinc/27/75/66/180277566.db2.gz YBAPTFZJTLQDPF-NEXFUWMNSA-N 2 0 254.418 2.406 10 0 CEAERP Cc1ccc(OCCC[NH+]2CCCC2)c(C[C@@H](C)[NH3+])n1 ZINC000091999812 180303765 /nfs/dbraw/zinc/30/37/65/180303765.db2.gz BMDZWBZQHWYQGU-CYBMUJFWSA-N 2 0 277.412 2.144 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003044 180304318 /nfs/dbraw/zinc/30/43/18/180304318.db2.gz QRXBNPCOKOJDGN-CABCVRRESA-N 2 0 267.461 2.179 10 0 CEAERP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1CC[NH3+] ZINC000092005030 180305417 /nfs/dbraw/zinc/30/54/17/180305417.db2.gz IGUMNVOWOISPIQ-WBVHZDCISA-N 2 0 273.424 2.169 10 0 CEAERP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000092133278 180331077 /nfs/dbraw/zinc/33/10/77/180331077.db2.gz DZZPRSGVACHCII-CYBMUJFWSA-N 2 0 275.396 2.076 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092089362 180321421 /nfs/dbraw/zinc/32/14/21/180321421.db2.gz SECMBDCQJZAUDM-KBPBESRZSA-N 2 0 262.397 2.373 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000092202727 180343397 /nfs/dbraw/zinc/34/33/97/180343397.db2.gz HNZZGRDBCWOASD-LSDHHAIUSA-N 2 0 285.391 2.124 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092304507 180360142 /nfs/dbraw/zinc/36/01/42/180360142.db2.gz ZMLGWWXVVKHYGP-OAHLLOKOSA-N 2 0 274.408 2.484 10 0 CEAERP C[C@H](C[N@H+](C)C[C@@H]1CSc2ccccc21)C(N)=[NH2+] ZINC000092288226 180357554 /nfs/dbraw/zinc/35/75/54/180357554.db2.gz MUQALRVYPBDTAX-GHMZBOCLSA-N 2 0 263.410 2.380 10 0 CEAERP CC(C)[C@@H]1C[N@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307381 180360691 /nfs/dbraw/zinc/36/06/91/180360691.db2.gz JFRBROXOLDJESK-ZBFHGGJFSA-N 2 0 274.408 2.483 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915378 186089312 /nfs/dbraw/zinc/08/93/12/186089312.db2.gz RXHSHWMBFZEDFV-QGZVFWFLSA-N 2 0 276.424 2.430 10 0 CEAERP CCC[NH2+]C[C@H](C)c1c(C)nn(CC[NH+](C)C)c1C ZINC000092322969 180362176 /nfs/dbraw/zinc/36/21/76/180362176.db2.gz CEJHCMWVPJPYDH-LBPRGKRZSA-N 2 0 266.433 2.165 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000092418812 180381287 /nfs/dbraw/zinc/38/12/87/180381287.db2.gz XNKWZIQIGQYSOO-UHFFFAOYSA-N 2 0 276.428 2.430 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000092419413 180381955 /nfs/dbraw/zinc/38/19/55/180381955.db2.gz ZQIBLJKASZAWGC-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000092419419 180382614 /nfs/dbraw/zinc/38/26/14/180382614.db2.gz ZTXMYKXDUNJTFR-INIZCTEOSA-N 2 0 276.428 2.430 10 0 CEAERP CC(C)C[NH+]1CCN(C(=[NH2+])Nc2ccccc2)CC1 ZINC000108129344 186206229 /nfs/dbraw/zinc/20/62/29/186206229.db2.gz XDDGHTZBBZNOTF-UHFFFAOYSA-N 2 0 260.385 2.307 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000109604115 186267579 /nfs/dbraw/zinc/26/75/79/186267579.db2.gz JZUJQUPZXCVQCY-AWEZNQCLSA-N 2 0 294.370 2.202 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C[NH3+] ZINC000109359495 186249829 /nfs/dbraw/zinc/24/98/29/186249829.db2.gz GTNCWXIPABDQPL-CYBMUJFWSA-N 2 0 284.407 2.081 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000110629959 186307280 /nfs/dbraw/zinc/30/72/80/186307280.db2.gz DBWRUSYPXYVAFU-SNVBAGLBSA-N 2 0 290.342 2.175 10 0 CEAERP C[C@@H]1CCC[N@H+](CCOc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000110805294 186325910 /nfs/dbraw/zinc/32/59/10/186325910.db2.gz FVGDFEWUXVMVMC-CYBMUJFWSA-N 2 0 275.396 2.471 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccccc2C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703924 186313697 /nfs/dbraw/zinc/31/36/97/186313697.db2.gz FGJKZORVMDWVQX-BFYDXBDKSA-N 2 0 275.440 2.409 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110715573 186315350 /nfs/dbraw/zinc/31/53/50/186315350.db2.gz MQXLIBKGSVCORJ-JQHSSLGASA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H]1CN(Cc2ccccc2C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110754525 186319815 /nfs/dbraw/zinc/31/98/15/186319815.db2.gz WIVVWPPNKSPBKP-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110755447 186319902 /nfs/dbraw/zinc/31/99/02/186319902.db2.gz JCXWAQAGYRTSRC-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP C[C@H]1CN(CC[NH2+]Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC000110756409 186320689 /nfs/dbraw/zinc/32/06/89/186320689.db2.gz ZGVVNQQGXXTRHQ-NSHDSACASA-N 2 0 287.860 2.127 10 0 CEAERP CC[N@@H+]1CCN(CC[NH2+]C2CCCCCC2)C[C@@H]1C ZINC000110756696 186321450 /nfs/dbraw/zinc/32/14/50/186321450.db2.gz VOFFQXFNOHUWTQ-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1oc(C[NH2+]CC(C)C)cc1CN(C)CC[NH+](C)C ZINC000111149778 186361138 /nfs/dbraw/zinc/36/11/38/186361138.db2.gz NLGDBORJKAQIEX-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1OC)N(C)CCC[NH+](C)C ZINC000111131709 186355926 /nfs/dbraw/zinc/35/59/26/186355926.db2.gz WEROPPJDPFLLKE-WBVHZDCISA-N 2 0 293.455 2.357 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1C)N(C)CC[NH+](C)C ZINC000111129660 186356119 /nfs/dbraw/zinc/35/61/19/186356119.db2.gz PPMHYAGZSNTEGG-CVEARBPZSA-N 2 0 263.429 2.267 10 0 CEAERP CN(CCC[NH+](C)C)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000111133163 186356172 /nfs/dbraw/zinc/35/61/72/186356172.db2.gz XRFNCRHPORRKQW-KRWDZBQOSA-N 2 0 275.440 2.060 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000111133479 186356422 /nfs/dbraw/zinc/35/64/22/186356422.db2.gz LELVVWCVNKCXHH-CYBMUJFWSA-N 2 0 287.810 2.362 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CCC[NH+](C)C ZINC000111130936 186356585 /nfs/dbraw/zinc/35/65/85/186356585.db2.gz LDMMCDOUZUIQBV-SJORKVTESA-N 2 0 293.455 2.357 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CCC[NH+](C)C ZINC000111136209 186356906 /nfs/dbraw/zinc/35/69/06/186356906.db2.gz OGFUVNHSHWSLBP-IRXDYDNUSA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@H](CCC)[C@H](CC)N(C)CC[NH+](C)C ZINC000111135354 186357081 /nfs/dbraw/zinc/35/70/81/186357081.db2.gz STBXVBIPPHDZEL-CABCVRRESA-N 2 0 257.466 2.427 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N(C)CC[NH+](C)C ZINC000111135511 186357534 /nfs/dbraw/zinc/35/75/34/186357534.db2.gz ALEFNYWLQSJRSB-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP Cc1cc(C)c(C[NH2+]CC(C)C)c(N(C)CC[NH+](C)C)n1 ZINC000111149063 186358386 /nfs/dbraw/zinc/35/83/86/186358386.db2.gz QXTXFNFWFVPWFT-UHFFFAOYSA-N 2 0 292.471 2.442 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111148241 186359286 /nfs/dbraw/zinc/35/92/86/186359286.db2.gz LBGXHPFTVWCDQM-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150442 186359705 /nfs/dbraw/zinc/35/97/05/186359705.db2.gz OEIDINXIOWHNSR-UHFFFAOYSA-N 2 0 267.417 2.161 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1CN(C)CC[NH+](C)C ZINC000111149943 186359945 /nfs/dbraw/zinc/35/99/45/186359945.db2.gz NAYBIZHPPLKKFA-UHFFFAOYSA-N 2 0 275.396 2.146 10 0 CEAERP CC[N@H+](C[C@]1(C[NH2+]C)CCCOC1)C1CCCC1 ZINC000111325296 186399130 /nfs/dbraw/zinc/39/91/30/186399130.db2.gz OUTROUPNFIBMRK-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329913 186399815 /nfs/dbraw/zinc/39/98/15/186399815.db2.gz VHVFCAOXUMSHQK-DLBZAZTESA-N 2 0 298.471 2.140 10 0 CEAERP Cc1cc(N(C)CCC[NH+](C)C)ccc1C[C@H](C)[NH3+] ZINC000111498436 186425163 /nfs/dbraw/zinc/42/51/63/186425163.db2.gz WJFFLTXGFQIXBA-AWEZNQCLSA-N 2 0 263.429 2.273 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070576342 363098311 /nfs/dbraw/zinc/09/83/11/363098311.db2.gz KGMNHXMOZSIRGU-HOTGVXAUSA-N 2 0 297.487 2.330 10 0 CEAERP Cc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc(C)c1O ZINC000211508350 539905140 /nfs/dbraw/zinc/90/51/40/539905140.db2.gz ZFURUZBRYGALEO-CQSZACIVSA-N 2 0 262.397 2.393 10 0 CEAERP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000133292931 366211265 /nfs/dbraw/zinc/21/12/65/366211265.db2.gz ODVIXLPFCQJPQQ-SJLPKXTDSA-N 2 0 290.451 2.302 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[C@H]1O ZINC000380905623 540137007 /nfs/dbraw/zinc/13/70/07/540137007.db2.gz FZEDIOHTJHSETA-RCCFBDPRSA-N 2 0 288.435 2.354 10 0 CEAERP [NH3+]CCCC[C@@H]([NH3+])c1cc(O)ccc1Br ZINC000575439443 366287649 /nfs/dbraw/zinc/28/76/49/366287649.db2.gz LTTRUAMAPHFEMW-LLVKDONJSA-N 2 0 273.174 2.284 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000570832312 299280344 /nfs/dbraw/zinc/28/03/44/299280344.db2.gz HVRQGHJISCIEMC-CGTJXYLNSA-N 2 0 287.451 2.239 10 0 CEAERP C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000578518508 366505734 /nfs/dbraw/zinc/50/57/34/366505734.db2.gz MRTBWFMFGPDRAO-IHRRRGAJSA-N 2 0 281.469 2.329 10 0 CEAERP O[C@@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000312462473 540460032 /nfs/dbraw/zinc/46/00/32/540460032.db2.gz FLGXQQZILUDIDF-DLBZAZTESA-N 2 0 280.456 2.345 10 0 CEAERP O[C@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000312462478 540460038 /nfs/dbraw/zinc/46/00/38/540460038.db2.gz FLGXQQZILUDIDF-IRXDYDNUSA-N 2 0 280.456 2.345 10 0 CEAERP CCC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000153673397 366736192 /nfs/dbraw/zinc/73/61/92/366736192.db2.gz PSQPHGQMORNGPI-JKSUJKDBSA-N 2 0 295.471 2.194 10 0 CEAERP COc1ccc([C@H]([NH3+])c2cccn2CC[NH+](C)C)cc1 ZINC000011848780 361366349 /nfs/dbraw/zinc/36/63/49/361366349.db2.gz FKBLSZVSAWEHJG-INIZCTEOSA-N 2 0 273.380 2.106 10 0 CEAERP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843191 367586286 /nfs/dbraw/zinc/58/62/86/367586286.db2.gz KDZOZLPHZKITGN-NEPJUHHUSA-N 2 0 268.788 2.245 10 0 CEAERP CCC[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+](C)C ZINC000179397772 368336947 /nfs/dbraw/zinc/33/69/47/368336947.db2.gz VJFBVFBDQAFZCE-INIZCTEOSA-N 2 0 295.471 2.194 10 0 CEAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C12CCOCC2 ZINC000186193712 368934616 /nfs/dbraw/zinc/93/46/16/368934616.db2.gz MGJYMRWKBPCMKH-HZPDHXFCSA-N 2 0 298.471 2.282 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH2+]CC1 ZINC000635003350 369038349 /nfs/dbraw/zinc/03/83/49/369038349.db2.gz IJAKCTHPBJELOF-NVXWUHKLSA-N 2 0 287.451 2.096 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH2+]CC1 ZINC000635003348 369038385 /nfs/dbraw/zinc/03/83/85/369038385.db2.gz IJAKCTHPBJELOF-DOTOQJQBSA-N 2 0 287.451 2.096 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715875 370243370 /nfs/dbraw/zinc/24/33/70/370243370.db2.gz CKKXSOFANOKPTB-HZPDHXFCSA-N 2 0 289.423 2.067 10 0 CEAERP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236697406 370610247 /nfs/dbraw/zinc/61/02/47/370610247.db2.gz NVJTVQDROIOMHZ-JKSUJKDBSA-N 2 0 295.471 2.132 10 0 CEAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000248422599 371192704 /nfs/dbraw/zinc/19/27/04/371192704.db2.gz DOWSTCVXPVRKTR-GVDBMIGSSA-N 2 0 280.456 2.415 10 0 CEAERP CC(C)(C)OC(=O)NC1CC[NH+](C2CCC([NH3+])CC2)CC1 ZINC000253561682 371527979 /nfs/dbraw/zinc/52/79/79/371527979.db2.gz CJNRVKOTLHLJQZ-UHFFFAOYSA-N 2 0 297.443 2.245 10 0 CEAERP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545739 371641699 /nfs/dbraw/zinc/64/16/99/371641699.db2.gz KHJLJPIPOCLPJY-QZTJIDSGSA-N 2 0 287.451 2.240 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(-c4ccco4)on3)C[C@H]12 ZINC000261662484 371695802 /nfs/dbraw/zinc/69/58/02/371695802.db2.gz FFOBKGVELHJXLS-KGYLQXTDSA-N 2 0 273.336 2.104 10 0 CEAERP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000261803667 371737989 /nfs/dbraw/zinc/73/79/89/371737989.db2.gz HEKFGXAKBXSLJD-GJZGRUSLSA-N 2 0 282.428 2.088 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324881 205220168 /nfs/dbraw/zinc/22/01/68/205220168.db2.gz VBNPYKOVQASYLB-JMSVASOKSA-N 2 0 273.380 2.320 10 0 CEAERP C[C@H](CCNC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379643120 375157138 /nfs/dbraw/zinc/15/71/38/375157138.db2.gz AXODUMRPBQFVSP-OAHLLOKOSA-N 2 0 275.440 2.239 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000389868485 375307619 /nfs/dbraw/zinc/30/76/19/375307619.db2.gz NHIZZSXNIYBBCZ-BGTYHANMSA-N 2 0 287.451 2.224 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000389868486 375307784 /nfs/dbraw/zinc/30/77/84/375307784.db2.gz NHIZZSXNIYBBCZ-DDBAPUKQSA-N 2 0 287.451 2.224 10 0 CEAERP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000562959198 377036530 /nfs/dbraw/zinc/03/65/30/377036530.db2.gz CNUZTRWATRFGPU-GJZGRUSLSA-N 2 0 267.461 2.229 10 0 CEAERP C[C@H](c1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000312584773 249373425 /nfs/dbraw/zinc/37/34/25/249373425.db2.gz CWESBSXHDXFJTI-XHBSWPGZSA-N 2 0 276.380 2.393 10 0 CEAERP CC[N@H+](CCO)CCNc1cc[nH+]c2ccc(C)cc12 ZINC000302218286 379332945 /nfs/dbraw/zinc/33/29/45/379332945.db2.gz KQJHYMIYXSSCQV-UHFFFAOYSA-N 2 0 273.380 2.269 10 0 CEAERP CCC(CC)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887088 322351866 /nfs/dbraw/zinc/35/18/66/322351866.db2.gz AESNDXGORFSZBG-BMFZPTHFSA-N 2 0 269.477 2.331 10 0 CEAERP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000388768240 542372305 /nfs/dbraw/zinc/37/23/05/542372305.db2.gz FZWKUNSZOSYSJB-ILXRZTDVSA-N 2 0 254.418 2.002 10 0 CEAERP COC[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CC[C@@H]2[NH3+])C1 ZINC000081116340 177773087 /nfs/dbraw/zinc/77/30/87/177773087.db2.gz AITDTOARCOFUFV-IHRRRGAJSA-N 2 0 254.418 2.108 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000080508202 177660205 /nfs/dbraw/zinc/66/02/05/177660205.db2.gz MGVIPGIFDXHKCD-TZMCWYRMSA-N 2 0 260.381 2.352 10 0 CEAERP CCC[N@H+](CC[C@H]1CCC[C@@]1(CO)[NH2+]C)CC1CC1 ZINC000093617395 184696834 /nfs/dbraw/zinc/69/68/34/184696834.db2.gz OIYOTIDMRYDFHR-CVEARBPZSA-N 2 0 268.445 2.249 10 0 CEAERP [NH3+]C[C@]1(O)CCC[C@H]1CC[NH+]1CCCCCCC1 ZINC000093627041 184698139 /nfs/dbraw/zinc/69/81/39/184698139.db2.gz JWWBZSRUGFUFSZ-LSDHHAIUSA-N 2 0 254.418 2.133 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]([NH+]2CCC(COC)CC2)C1 ZINC000093730752 184709602 /nfs/dbraw/zinc/70/96/02/184709602.db2.gz FHCLNDHHUKPGQM-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]Cc1nc(OCC(C)(C)[NH+](C)C)ccc1Cl ZINC000093955377 184745538 /nfs/dbraw/zinc/74/55/38/184745538.db2.gz BCOFPADLSZSEFQ-UHFFFAOYSA-N 2 0 271.792 2.173 10 0 CEAERP FC(F)(F)CO[C@@H]1CCC[C@H]([NH2+]CC2CC[NH2+]CC2)C1 ZINC000094010175 184749483 /nfs/dbraw/zinc/74/94/83/184749483.db2.gz PKJONVOWSWVODI-QWHCGFSZSA-N 2 0 294.361 2.466 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094384285 184792499 /nfs/dbraw/zinc/79/24/99/184792499.db2.gz PQWMEPWNCPXLDW-CVEARBPZSA-N 2 0 298.496 2.363 10 0 CEAERP CC[NH2+][C@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C)cc1 ZINC000094460372 184805612 /nfs/dbraw/zinc/80/56/12/184805612.db2.gz LLGKMFLKJKQTPZ-QZTJIDSGSA-N 2 0 287.451 2.426 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091432346 135069804 /nfs/dbraw/zinc/06/98/04/135069804.db2.gz SABHTCKCNKXAQO-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000091432352 135069830 /nfs/dbraw/zinc/06/98/30/135069830.db2.gz ASADHJDWGPRBAK-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000091427347 135069994 /nfs/dbraw/zinc/06/99/94/135069994.db2.gz YWIGWUKZOQAESC-KRWDZBQOSA-N 2 0 290.455 2.358 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H](C)[C@@H](C)C[NH3+])CC2)c1 ZINC000093068442 135078876 /nfs/dbraw/zinc/07/88/76/135078876.db2.gz CTBUUNSOYBLPKT-LSDHHAIUSA-N 2 0 261.413 2.100 10 0 CEAERP C[C@H]([C@@H](C)C[NH3+])[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000093068449 135079002 /nfs/dbraw/zinc/07/90/02/135079002.db2.gz RXOHOORKVFNUHE-QWHCGFSZSA-N 2 0 281.831 2.445 10 0 CEAERP C[N@@H+]1CCN(c2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000138416835 135083437 /nfs/dbraw/zinc/08/34/37/135083437.db2.gz SAUJEHBPOOXNBQ-KRWDZBQOSA-N 2 0 283.375 2.067 10 0 CEAERP C[C@H]([NH3+])c1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439665 135087847 /nfs/dbraw/zinc/08/78/47/135087847.db2.gz UBQRHBAILNJCCB-UONOGXRCSA-N 2 0 259.397 2.381 10 0 CEAERP C[N@@H+]1CCC[C@H]1CN1CCC[NH+](Cc2ccccc2)CC1 ZINC000649479084 396164287 /nfs/dbraw/zinc/16/42/87/396164287.db2.gz DSSIOALQUDZWJL-SFHVURJKSA-N 2 0 287.451 2.289 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155998 400537188 /nfs/dbraw/zinc/53/71/88/400537188.db2.gz YAIFTVRPCIQIOW-CBBWQLFWSA-N 2 0 264.413 2.147 10 0 CEAERP CCCCN(CCCC)C1(C[NH3+])CC[NH+](C)CC1 ZINC000020484911 171224564 /nfs/dbraw/zinc/22/45/64/171224564.db2.gz RHPLIWXNABCSCJ-UHFFFAOYSA-N 2 0 255.450 2.312 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152206 171359713 /nfs/dbraw/zinc/35/97/13/171359713.db2.gz TXESFCQRZQTXGH-CYBMUJFWSA-N 2 0 275.396 2.348 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000022171362 171368216 /nfs/dbraw/zinc/36/82/16/171368216.db2.gz QQVSWBGWKATTBR-IHRRRGAJSA-N 2 0 277.412 2.040 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022177758 171371525 /nfs/dbraw/zinc/37/15/25/171371525.db2.gz LVGXMPFMIBADEW-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022215698 171375383 /nfs/dbraw/zinc/37/53/83/171375383.db2.gz KAWDVBUGLFTRCP-INIZCTEOSA-N 2 0 261.413 2.021 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]([NH3+])c2cc(C)ccc2OC)CC1 ZINC000022565333 171391536 /nfs/dbraw/zinc/39/15/36/171391536.db2.gz HFGDRCLEZVHSHJ-MRXNPFEDSA-N 2 0 291.439 2.031 10 0 CEAERP CCCOc1ccc(C[NH2+]C)c(OCC[NH+](C)C)c1 ZINC000035414128 172187739 /nfs/dbraw/zinc/18/77/39/172187739.db2.gz FLTQYLXQDZHPLV-UHFFFAOYSA-N 2 0 266.385 2.135 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CC(=O)OC ZINC000035748186 172395474 /nfs/dbraw/zinc/39/54/74/172395474.db2.gz DCVVRNOSILQJIW-OLZOCXBDSA-N 2 0 258.406 2.038 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CC(=O)OC ZINC000035748187 172395917 /nfs/dbraw/zinc/39/59/17/172395917.db2.gz DCVVRNOSILQJIW-STQMWFEESA-N 2 0 258.406 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC[C@@H]2CCCO2)C1 ZINC000038096062 174110208 /nfs/dbraw/zinc/11/02/08/174110208.db2.gz FNDXPXKJFUFAFQ-KFWWJZLASA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508122 174302826 /nfs/dbraw/zinc/30/28/26/174302826.db2.gz CNGGNLWSVBAXBO-ARFHVFGLSA-N 2 0 295.471 2.097 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040672700 174371108 /nfs/dbraw/zinc/37/11/08/174371108.db2.gz ZTKSVXOGDTWRAN-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693799 174377984 /nfs/dbraw/zinc/37/79/84/174377984.db2.gz DABNRIDMIRXZLB-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCCO2)CC1 ZINC000042815020 174885551 /nfs/dbraw/zinc/88/55/51/174885551.db2.gz DGYUFFCZMBXUKQ-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)c1C ZINC000043314688 175004508 /nfs/dbraw/zinc/00/45/08/175004508.db2.gz XBTPLFNOLGXLHX-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@H]([NH3+])[C@H](N(C)C1CC[NH+](CC)CC1)C(F)(F)F ZINC000043379166 175030821 /nfs/dbraw/zinc/03/08/21/175030821.db2.gz OBYPDYUHPFSFSU-RYUDHWBXSA-N 2 0 281.366 2.071 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965690 175127400 /nfs/dbraw/zinc/12/74/00/175127400.db2.gz YRBINQMFBIRAHH-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967570 175128275 /nfs/dbraw/zinc/12/82/75/175128275.db2.gz QBTUOGWYLUXUFU-QAPCUYQASA-N 2 0 287.451 2.424 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967533 175128345 /nfs/dbraw/zinc/12/83/45/175128345.db2.gz HSRCRXNYBMRTLS-HZPDHXFCSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970791 175131835 /nfs/dbraw/zinc/13/18/35/175131835.db2.gz SBDIJELGMVZWOJ-HOCLYGCPSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073255 175302642 /nfs/dbraw/zinc/30/26/42/175302642.db2.gz ZRNNDKIDIJSTHT-OAGGEKHMSA-N 2 0 266.429 2.408 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000045171445 175321016 /nfs/dbraw/zinc/32/10/16/175321016.db2.gz RQRRCUOPBLFXED-SMDDNHRTSA-N 2 0 276.428 2.172 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379746 175369402 /nfs/dbraw/zinc/36/94/02/175369402.db2.gz DKTOJYOQXFPMLA-DZKIICNBSA-N 2 0 283.460 2.273 10 0 CEAERP C[NH2+][C@@](C)(CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419324 175377620 /nfs/dbraw/zinc/37/76/20/175377620.db2.gz DULJPUNCMSKCHB-UXLLHSPISA-N 2 0 295.471 2.132 10 0 CEAERP CCCC[N@H+](CCC[C@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045421763 175380471 /nfs/dbraw/zinc/38/04/71/175380471.db2.gz XTQGMKPOSJGKBS-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC2CCC2)O1 ZINC000061485851 175648193 /nfs/dbraw/zinc/64/81/93/175648193.db2.gz CMRFLTRMDSVAQY-LSDHHAIUSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+][C@H](Cc1c[nH+]ccc1N)c1ccc(F)c(F)c1 ZINC000070400766 175910199 /nfs/dbraw/zinc/91/01/99/175910199.db2.gz VNDUJWPZQMPMPH-CQSZACIVSA-N 2 0 263.291 2.445 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[NH+](CC1CC1)CC1CC1)C(N)=O ZINC000070506782 175959414 /nfs/dbraw/zinc/95/94/14/175959414.db2.gz WTXBGMFBZHMDKQ-QGZVFWFLSA-N 2 0 295.471 2.131 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038080 176026516 /nfs/dbraw/zinc/02/65/16/176026516.db2.gz IJZNDBGYXWORKK-HZPDHXFCSA-N 2 0 297.487 2.488 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044424 176029674 /nfs/dbraw/zinc/02/96/74/176029674.db2.gz DASYRNPSUDRLRW-GUYCJALGSA-N 2 0 274.408 2.360 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C(C)C)CC2)C1 ZINC000071123432 176035300 /nfs/dbraw/zinc/03/53/00/176035300.db2.gz YIILNGOWFABQQC-HOTGVXAUSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]1C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC(C)(C)C1 ZINC000071148941 176044491 /nfs/dbraw/zinc/04/44/91/176044491.db2.gz KKMRDXFNGYJLRE-GJZGRUSLSA-N 2 0 267.461 2.038 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170255 176050767 /nfs/dbraw/zinc/05/07/67/176050767.db2.gz NVZNMNUFZHZLFO-AWEZNQCLSA-N 2 0 274.408 2.441 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188808 176063275 /nfs/dbraw/zinc/06/32/75/176063275.db2.gz ARHSWVWFUOWJPD-FHLIZLRMSA-N 2 0 287.451 2.145 10 0 CEAERP CC[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188904 176063899 /nfs/dbraw/zinc/06/38/99/176063899.db2.gz OPSBRBZMGRKDKV-WBVHZDCISA-N 2 0 275.440 2.221 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188623 176063902 /nfs/dbraw/zinc/06/39/02/176063902.db2.gz ZYQZDPYXRJJLPK-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CCC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191427 176069427 /nfs/dbraw/zinc/06/94/27/176069427.db2.gz UYJPXZKFRIMGFT-NVXWUHKLSA-N 2 0 281.488 2.428 10 0 CEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191844 176072067 /nfs/dbraw/zinc/07/20/67/176072067.db2.gz QJFGJROMZDXRET-LSDHHAIUSA-N 3 0 269.477 2.427 10 0 CEAERP C[C@H]1CCCC[C@H]1[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192423 176073124 /nfs/dbraw/zinc/07/31/24/176073124.db2.gz OIUNCPRVIIYHOA-ARFHVFGLSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201503 176078341 /nfs/dbraw/zinc/07/83/41/176078341.db2.gz XLVZBIFJSQJELT-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP COCCN(CCC[NH3+])c1cc(C)[nH+]c2ccccc21 ZINC000071223806 176088650 /nfs/dbraw/zinc/08/86/50/176088650.db2.gz RXKUEQZHEXPQSX-UHFFFAOYSA-N 2 0 273.380 2.345 10 0 CEAERP CC[NH2+]C[C@H]1CCC[N@H+](CCCCCC(=O)OCC)C1 ZINC000071297943 176112734 /nfs/dbraw/zinc/11/27/34/176112734.db2.gz KEZKLJGPFNVZPH-OAHLLOKOSA-N 2 0 284.444 2.431 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377485 176142962 /nfs/dbraw/zinc/14/29/62/176142962.db2.gz CLQLRJKTISVMSB-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH2+]C[C@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377492 176143155 /nfs/dbraw/zinc/14/31/55/176143155.db2.gz UIRCITWPDQLHTE-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401192 176153315 /nfs/dbraw/zinc/15/33/15/176153315.db2.gz QQEGKOFHSVSNQA-HOTGVXAUSA-N 2 0 291.439 2.169 10 0 CEAERP COc1c(C)cc(C)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076655180 177045193 /nfs/dbraw/zinc/04/51/93/177045193.db2.gz QFSUEVCCFYIFKR-CYBMUJFWSA-N 2 0 250.386 2.306 10 0 CEAERP CC[C@H]1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000078005570 177316724 /nfs/dbraw/zinc/31/67/24/177316724.db2.gz KDUIFNBUBDQXBF-BBWFWOEESA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412325 274244419 /nfs/dbraw/zinc/24/44/19/274244419.db2.gz UKNDUZSHAZJHDC-WBVHZDCISA-N 2 0 287.451 2.239 10 0 CEAERP FC(F)(F)CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000080945072 303112797 /nfs/dbraw/zinc/11/27/97/303112797.db2.gz LYWPPLUOHIUWPK-NSHDSACASA-N 2 0 250.308 2.403 10 0 CEAERP CC(C)C[NH+]1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055081833 519725507 /nfs/dbraw/zinc/72/55/07/519725507.db2.gz SQZRDOUURSHTMJ-UHFFFAOYSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477733 519913349 /nfs/dbraw/zinc/91/33/49/519913349.db2.gz UIFZHVBEGBUIOU-CQSZACIVSA-N 3 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000052503296 519929408 /nfs/dbraw/zinc/92/94/08/519929408.db2.gz VIBQGCSTOHONMT-HNNXBMFYSA-N 2 0 257.466 2.142 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346602 519950379 /nfs/dbraw/zinc/95/03/79/519950379.db2.gz OVUFMGIVEWNQGY-GJZGRUSLSA-N 2 0 266.385 2.177 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419384 519952762 /nfs/dbraw/zinc/95/27/62/519952762.db2.gz NMAPPXIBEYSIDW-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]Cc1ccc(CN(CC[NH+](C)C)CC(C)C)o1 ZINC000052503317 519995647 /nfs/dbraw/zinc/99/56/47/519995647.db2.gz CRHHCWZUHBGWHE-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](CCCOC)CCOC)cc1C ZINC000052543336 520028044 /nfs/dbraw/zinc/02/80/44/520028044.db2.gz SFEJKQKUQOTCPX-UHFFFAOYSA-N 2 0 298.427 2.182 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079414 520063329 /nfs/dbraw/zinc/06/33/29/520063329.db2.gz ZZVRKHODTNUDQC-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875174 520061501 /nfs/dbraw/zinc/06/15/01/520061501.db2.gz ZCJAJADOFKDJRC-PWSUYJOCSA-N 2 0 282.350 2.010 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)C(C)(C)C ZINC000055065947 520098970 /nfs/dbraw/zinc/09/89/70/520098970.db2.gz KAVOFMLAVSPVIO-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082099 520214174 /nfs/dbraw/zinc/21/41/74/520214174.db2.gz UFIZGRBEULWXLN-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1cccc(F)c1 ZINC000062740791 520307393 /nfs/dbraw/zinc/30/73/93/520307393.db2.gz WILKPMCBCGOLMK-CQSZACIVSA-N 2 0 254.349 2.011 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)[C@@H](C)COC ZINC000052182334 520936813 /nfs/dbraw/zinc/93/68/13/520936813.db2.gz YLNLDSPXUJTETK-HNNXBMFYSA-N 2 0 286.460 2.138 10 0 CEAERP CCC(C)(C)[N@H+](C)CCCC[C@@](C)(NC)C(=O)OC ZINC000069443256 521302338 /nfs/dbraw/zinc/30/23/38/521302338.db2.gz RFWDVNCVGFWXLT-OAHLLOKOSA-N 2 0 272.433 2.428 10 0 CEAERP C[NH2+]Cc1oc(C[N@@H+]2CCCSCC2)cc1C ZINC000052371209 522162266 /nfs/dbraw/zinc/16/22/66/522162266.db2.gz YBNMCLMCAWJSGW-UHFFFAOYSA-N 2 0 254.399 2.246 10 0 CEAERP C(CC[NH2+]C1CC1)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000052540317 518383478 /nfs/dbraw/zinc/38/34/78/518383478.db2.gz PLZFCNACJBFQCQ-CABCVRRESA-N 2 0 252.402 2.162 10 0 CEAERP C(CC[NH2+]C1CC1)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540316 518384217 /nfs/dbraw/zinc/38/42/17/518384217.db2.gz PLZFCNACJBFQCQ-LSDHHAIUSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016540 518712831 /nfs/dbraw/zinc/71/28/31/518712831.db2.gz ZLVUREDEQGXCGD-INIZCTEOSA-N 2 0 275.440 2.493 10 0 CEAERP CC(C)[NH+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068811242 519682957 /nfs/dbraw/zinc/68/29/57/519682957.db2.gz RGEOGCMFAJETOB-HNNXBMFYSA-N 2 0 287.407 2.459 10 0 CEAERP CC(C)CN(CC[NH+](C)C)c1ncc([C@H](C)[NH3+])s1 ZINC000054896626 519716958 /nfs/dbraw/zinc/71/69/58/519716958.db2.gz XISNNCSNPFFAHL-NSHDSACASA-N 2 0 270.446 2.187 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180442 519719615 /nfs/dbraw/zinc/71/96/15/519719615.db2.gz XZVMMEILCPNUQM-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[NH2+]CCCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000052418621 519720455 /nfs/dbraw/zinc/72/04/55/519720455.db2.gz WGIBJCXDYLDCKH-UHFFFAOYSA-N 2 0 290.455 2.372 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515395 519721493 /nfs/dbraw/zinc/72/14/93/519721493.db2.gz MNQBPYUWASNPLA-HNNXBMFYSA-N 3 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483155 519725235 /nfs/dbraw/zinc/72/52/35/519725235.db2.gz BMFHVEZWPGTORS-SJORKVTESA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)C[NH+]1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055081796 519725606 /nfs/dbraw/zinc/72/56/06/519725606.db2.gz HMWOXYDXMMJULF-UHFFFAOYSA-N 2 0 267.461 2.169 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083740 519726498 /nfs/dbraw/zinc/72/64/98/519726498.db2.gz UJOOBIIEOZBPES-QGZVFWFLSA-N 2 0 275.440 2.134 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055077890 519727620 /nfs/dbraw/zinc/72/76/20/519727620.db2.gz JGOHHQHGMRZURJ-INIZCTEOSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055077658 519728135 /nfs/dbraw/zinc/72/81/35/519728135.db2.gz FIZMUSQLCXMBJC-QGZVFWFLSA-N 2 0 275.440 2.350 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000052419962 519744144 /nfs/dbraw/zinc/74/41/44/519744144.db2.gz QBXZZKPBKOFVPR-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481028 519744749 /nfs/dbraw/zinc/74/47/49/519744749.db2.gz VBPCZYJLOBJEOH-IRXDYDNUSA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N2CCC([NH+](C)C)CC2)nc1 ZINC000051444826 519747244 /nfs/dbraw/zinc/74/72/44/519747244.db2.gz HPZMGTLELHNTOL-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N2CCC([NH+](C)C)CC2)n1 ZINC000051444762 519747404 /nfs/dbraw/zinc/74/74/04/519747404.db2.gz KISQAEUUSTWNCJ-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH+]1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554502 519859588 /nfs/dbraw/zinc/85/95/88/519859588.db2.gz GEFBLLIYWBRGMO-YESZJQIVSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N[C@@H](C)CC ZINC000054629544 519907290 /nfs/dbraw/zinc/90/72/90/519907290.db2.gz OCZQZFXPAPCUBM-HNSVSWJLSA-N 2 0 295.471 2.286 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CC)CC2CC2)CCOCC1 ZINC000069262677 519912820 /nfs/dbraw/zinc/91/28/20/519912820.db2.gz GSZUVOZYQKPSLB-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]CC1(C[N@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000052180543 519913562 /nfs/dbraw/zinc/91/35/62/519913562.db2.gz MHQHFGJMSDRMLS-GASCZTMLSA-N 2 0 268.445 2.371 10 0 CEAERP CC[NH2+]CCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374632 519919303 /nfs/dbraw/zinc/91/93/03/519919303.db2.gz DQJMVUZPCNPBAN-UHFFFAOYSA-N 2 0 279.403 2.337 10 0 CEAERP CC[NH2+]CCC[C@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000052544033 519919790 /nfs/dbraw/zinc/91/97/90/519919790.db2.gz KTLUUDUWRKZDEU-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479520 519924070 /nfs/dbraw/zinc/92/40/70/519924070.db2.gz BHEKASAPQSGFSW-JKSUJKDBSA-N 2 0 277.412 2.061 10 0 CEAERP CC[NH2+]C[C@@H](C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061266148 519934424 /nfs/dbraw/zinc/93/44/24/519934424.db2.gz JRXGILWVTZMZMO-CQSZACIVSA-N 2 0 283.460 2.003 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCC2)O1 ZINC000052419386 519950679 /nfs/dbraw/zinc/95/06/79/519950679.db2.gz NMAPPXIBEYSIDW-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419166 519953048 /nfs/dbraw/zinc/95/30/48/519953048.db2.gz LTSVUODGFRJQGT-IRXDYDNUSA-N 2 0 274.408 2.202 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054997431 519975558 /nfs/dbraw/zinc/97/55/58/519975558.db2.gz MCXVNUAMANWMTI-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346223 519980531 /nfs/dbraw/zinc/98/05/31/519980531.db2.gz QKCBNIMMOBVLSW-HZPDHXFCSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)C[C@@H]2CCCO2)c1 ZINC000052540851 520004779 /nfs/dbraw/zinc/00/47/79/520004779.db2.gz NONIXRUIRINQIJ-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1cccc(OCCOCCC[NH+](C)C)c1 ZINC000052672461 520007047 /nfs/dbraw/zinc/00/70/47/520007047.db2.gz LUCMALKZRNECMF-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCC[NH2+][C@H](C)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055066142 520062232 /nfs/dbraw/zinc/06/22/32/520062232.db2.gz ALKONKZKALZNQY-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H](CCC)CN1CC[NH+](CC(C)C)CC1 ZINC000055078661 520069092 /nfs/dbraw/zinc/06/90/92/520069092.db2.gz VISNIBBYHIXGKV-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560060 520096104 /nfs/dbraw/zinc/09/61/04/520096104.db2.gz GZNPGYFUATVMSO-XHSDSOJGSA-N 2 0 270.461 2.351 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055079320 520198314 /nfs/dbraw/zinc/19/83/14/520198314.db2.gz MTTKYKDINHJYEL-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979433 520216261 /nfs/dbraw/zinc/21/62/61/520216261.db2.gz CHZKVNXWTMZZQP-HRCADAONSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+]1CCC(O)CC1 ZINC000054559440 520218042 /nfs/dbraw/zinc/21/80/42/520218042.db2.gz RJGNQFHPBYIITM-INMHGKMJSA-N 2 0 282.472 2.494 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979247 520219959 /nfs/dbraw/zinc/21/99/59/520219959.db2.gz UTXDBJLNJLYVDX-QAETUUGQSA-N 2 0 279.472 2.323 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075927 520223849 /nfs/dbraw/zinc/22/38/49/520223849.db2.gz GHNCQWJNNGHPJU-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000068878905 520630619 /nfs/dbraw/zinc/63/06/19/520630619.db2.gz SMVZWOXBMVIFQW-MNOVXSKESA-N 2 0 270.339 2.010 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086691 520632665 /nfs/dbraw/zinc/63/26/65/520632665.db2.gz YVRYFPYYNUXVIX-KKUMJFAQSA-N 2 0 283.460 2.131 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000069267431 520847993 /nfs/dbraw/zinc/84/79/93/520847993.db2.gz PSNNLYUUFZLCAY-NVXWUHKLSA-N 2 0 273.424 2.247 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970401 520909969 /nfs/dbraw/zinc/90/99/69/520909969.db2.gz WRYSWDWKRXVOER-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+](Cc1cc(C)ccc1OC)C[C@@H](C)C[NH3+] ZINC000050702800 521288484 /nfs/dbraw/zinc/28/84/84/521288484.db2.gz XDIFLNBKXHELSA-ZDUSSCGKSA-N 2 0 250.386 2.420 10 0 CEAERP CC[N@H+]([C@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017412 521477155 /nfs/dbraw/zinc/47/71/55/521477155.db2.gz CXVLMJSRWURPCO-HIFRSBDPSA-N 2 0 250.386 2.433 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052543928 521566691 /nfs/dbraw/zinc/56/66/91/521566691.db2.gz MZOSYHLHAWAEDN-INIZCTEOSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049553836 521583029 /nfs/dbraw/zinc/58/30/29/521583029.db2.gz YZZAHSGWWSZPAN-ZIAGYGMSSA-N 3 0 255.450 2.037 10 0 CEAERP CCC(CC)[C@H](C[NH3+])N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978288 521616162 /nfs/dbraw/zinc/61/61/62/521616162.db2.gz BSBNIWPZLJJGSA-GJZGRUSLSA-N 2 0 255.450 2.166 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000051254370 521656710 /nfs/dbraw/zinc/65/67/10/521656710.db2.gz RWVVGBSPEVAFRQ-KRWDZBQOSA-N 2 0 299.503 2.055 10 0 CEAERP CCC[N@H+](CCN(C)C)Cc1ccc(C[NH2+]C)cc1 ZINC000052544250 521658150 /nfs/dbraw/zinc/65/81/50/521658150.db2.gz PWOFWSDDSILLPP-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP CC[NH+]1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559455 521685741 /nfs/dbraw/zinc/68/57/41/521685741.db2.gz ZDLHGGDFHWONHB-JYJNAYRXSA-N 2 0 267.461 2.024 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541462 522095362 /nfs/dbraw/zinc/09/53/62/522095362.db2.gz LQSSPBVMBLLQOG-ZIAGYGMSSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000052540323 522117135 /nfs/dbraw/zinc/11/71/35/522117135.db2.gz SONCHRBHLIADSL-HOTGVXAUSA-N 2 0 260.381 2.159 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072438 522121272 /nfs/dbraw/zinc/12/12/72/522121272.db2.gz ZSJHKYIFRWKLQT-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072031 522124940 /nfs/dbraw/zinc/12/49/40/522124940.db2.gz KAHGDJSKHJDPFT-AEFFLSMTSA-N 2 0 289.467 2.319 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063801 522129046 /nfs/dbraw/zinc/12/90/46/522129046.db2.gz HEJACUXUUVTISX-OCCSQVGLSA-N 2 0 281.469 2.472 10 0 CEAERP CCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C(C)C ZINC000054968960 522385236 /nfs/dbraw/zinc/38/52/36/522385236.db2.gz AKYZGUOQSZAYDJ-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP C[NH2+][C@H](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000045598969 522439941 /nfs/dbraw/zinc/43/99/41/522439941.db2.gz QJTRYDDSCCQHOE-OAHLLOKOSA-N 2 0 261.413 2.197 10 0 CEAERP C[N@H+](CCCN1[C@@H]2CC[C@H]1CC([NH3+])C2)Cc1ccccc1 ZINC000054627530 522754011 /nfs/dbraw/zinc/75/40/11/522754011.db2.gz PDEUBJAGUCCDCW-AYHJJNSGSA-N 2 0 287.451 2.463 10 0 CEAERP COCCC[N@H+](C)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000062036020 523227834 /nfs/dbraw/zinc/22/78/34/523227834.db2.gz VBKUDWFSPQUDKJ-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C[NH2+]C ZINC000052571226 523350277 /nfs/dbraw/zinc/35/02/77/523350277.db2.gz USGDTZAJWIPCRS-CJNGLKHVSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@]1(C(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]C1 ZINC000062859036 523537884 /nfs/dbraw/zinc/53/78/84/523537884.db2.gz QQVLQYZDCASIHC-INIZCTEOSA-N 2 0 295.471 2.147 10 0 CEAERP COCC[N@H+](C)Cc1ccc(C[NH2+]C(C)(C)C)o1 ZINC000052572816 523624168 /nfs/dbraw/zinc/62/41/68/523624168.db2.gz LKDKQTXABXXZKQ-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CN(c1nc2c(s1)[C@H]([NH3+])CCC2)C1CC[NH+](C)CC1 ZINC000054864021 523666300 /nfs/dbraw/zinc/66/63/00/523666300.db2.gz YOEMGWMHIQOVGU-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP COCC[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052542524 523733613 /nfs/dbraw/zinc/73/36/13/523733613.db2.gz YAQPWOUETJKEAO-LSDHHAIUSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000055083498 523953030 /nfs/dbraw/zinc/95/30/30/523953030.db2.gz QYFWFNSZEJONQJ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065217 523955374 /nfs/dbraw/zinc/95/53/74/523955374.db2.gz KDKARGWBQBALTF-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064758 523959829 /nfs/dbraw/zinc/95/98/29/523959829.db2.gz WFXUYHUJRKCECB-GJZGRUSLSA-N 2 0 255.450 2.166 10 0 CEAERP C[NH+](C)C1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068811251 524040740 /nfs/dbraw/zinc/04/07/40/524040740.db2.gz IMUFXTXTCVWHPB-HNNXBMFYSA-N 2 0 287.407 2.459 10 0 CEAERP C[C@H]1CCC[C@@H]([NH3+])[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125553 524144310 /nfs/dbraw/zinc/14/43/10/524144310.db2.gz JOKPHYFNVRZQMH-CAOSSQGBSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1ccc(C)c([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642866 524210945 /nfs/dbraw/zinc/21/09/45/524210945.db2.gz RRFAFTIOHZYIJM-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc(C[NH3+])c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055076818 524424221 /nfs/dbraw/zinc/42/42/21/524424221.db2.gz JOXPAFYPRVFCJC-UHFFFAOYSA-N 2 0 261.413 2.232 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642178 524853104 /nfs/dbraw/zinc/85/31/04/524853104.db2.gz GMIOYEJXBATNJN-APHBMKBZSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061655768 524866782 /nfs/dbraw/zinc/86/67/82/524866782.db2.gz QJTXTPWZDBNESK-SWLSCSKDSA-N 2 0 290.411 2.264 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641995 524884858 /nfs/dbraw/zinc/88/48/58/524884858.db2.gz XEENQGKKNUUWOB-OIISXLGYSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642032 525016851 /nfs/dbraw/zinc/01/68/51/525016851.db2.gz LVLGGOQHMIGVFK-FVQBIDKESA-N 2 0 261.413 2.101 10 0 CEAERP Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@H](C)[NH3+] ZINC000054895670 526963142 /nfs/dbraw/zinc/96/31/42/526963142.db2.gz IZHZVEQXLKKSRD-VIFPVBQESA-N 2 0 268.430 2.002 10 0 CEAERP Cc1[nH+]c2cc(N)ccc2n1C[C@@H]1CCC[N@@H+](C)C1 ZINC000052854146 527121852 /nfs/dbraw/zinc/12/18/52/527121852.db2.gz RZSYKMDHRARYBK-GFCCVEGCSA-N 2 0 258.369 2.269 10 0 CEAERP [NH3+]C1CCC(CCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055140958 527139318 /nfs/dbraw/zinc/13/93/18/527139318.db2.gz DAMAYDBCBDDECI-CKUJCDMFSA-N 2 0 293.455 2.027 10 0 CEAERP [NH3+]CC1(C[N@H+](Cc2ccsc2)C2CC2)CCOCC1 ZINC000052183047 527163525 /nfs/dbraw/zinc/16/35/25/527163525.db2.gz YCTYCSUQTVHLNX-UHFFFAOYSA-N 2 0 280.437 2.468 10 0 CEAERP [NH3+]Cc1cc(Cl)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000052857149 527248436 /nfs/dbraw/zinc/24/84/36/527248436.db2.gz URDUQNMJYREBET-UHFFFAOYSA-N 2 0 279.815 2.331 10 0 CEAERP [NH3+]Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052758470 527254636 /nfs/dbraw/zinc/25/46/36/527254636.db2.gz KRNWEWRHQFMMJD-AWEZNQCLSA-N 2 0 266.360 2.021 10 0 CEAERP [NH3+][C@H]1CCCC[C@@H]1CN1CC[NH+](C2CCCC2)CC1 ZINC000053859877 527396739 /nfs/dbraw/zinc/39/67/39/527396739.db2.gz JNMCHGGOEGVRFL-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP C1CC1[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757138106 574510113 /nfs/dbraw/zinc/51/01/13/574510113.db2.gz ASHIXBZKTMVZQD-GXTWGEPZSA-N 2 0 250.386 2.120 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757145739 574510390 /nfs/dbraw/zinc/51/03/90/574510390.db2.gz QKLTUBVXQXIAFP-KGLIPLIRSA-N 2 0 252.402 2.223 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc4ccccc43)C[C@H]12 ZINC000312652280 628360710 /nfs/dbraw/zinc/36/07/10/628360710.db2.gz FXGZAMIRLUZIPB-RRQGHBQHSA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+]CCCN1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000039173054 343435348 /nfs/dbraw/zinc/43/53/48/343435348.db2.gz UUFAPTHUEHHMIS-KRWDZBQOSA-N 2 0 273.424 2.030 10 0 CEAERP COc1c(Cl)cccc1N1CC[NH+](CCCC[NH3+])CC1 ZINC000090609564 344141834 /nfs/dbraw/zinc/14/18/34/344141834.db2.gz AXQNYRWWPAVLSM-UHFFFAOYSA-N 2 0 297.830 2.210 10 0 CEAERP CC(=O)Nc1cccc(C2CC[NH+](CCC[NH3+])CC2)c1 ZINC000147421963 344412392 /nfs/dbraw/zinc/41/23/92/344412392.db2.gz HFWZERJLIXANPB-UHFFFAOYSA-N 2 0 275.396 2.173 10 0 CEAERP c1ccc(C[NH+]2CCC(OC3CC[NH2+]CC3)CC2)cc1 ZINC000396156619 344846657 /nfs/dbraw/zinc/84/66/57/344846657.db2.gz HRHVRDOAPZHVCT-UHFFFAOYSA-N 2 0 274.408 2.420 10 0 CEAERP C[C@@H](C[C@](C)(O)C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000085302082 179010822 /nfs/dbraw/zinc/01/08/22/179010822.db2.gz FMUAZLYWCYEMSZ-WFASDCNBSA-N 2 0 256.434 2.233 10 0 CEAERP CC(C)(C)C1CC[NH+](CCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302106 179011127 /nfs/dbraw/zinc/01/11/27/179011127.db2.gz HXVWRFBOZFZSKZ-OAHLLOKOSA-N 2 0 256.434 2.234 10 0 CEAERP C[C@@](O)(C[NH3+])CC[NH+]1CCC2(CCCCC2)CC1 ZINC000085302754 179011528 /nfs/dbraw/zinc/01/15/28/179011528.db2.gz BVHOREPONWCTRE-AWEZNQCLSA-N 2 0 254.418 2.133 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572498 179097018 /nfs/dbraw/zinc/09/70/18/179097018.db2.gz ODWMWZDUAYLTKE-ZDUSSCGKSA-N 2 0 288.439 2.137 10 0 CEAERP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624335 179107174 /nfs/dbraw/zinc/10/71/74/179107174.db2.gz HVIDODIXTBRKFF-MELADBBJSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)c1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573029 179098292 /nfs/dbraw/zinc/09/82/92/179098292.db2.gz VXIUCKASGVNDOV-CYBMUJFWSA-N 2 0 274.412 2.061 10 0 CEAERP C[NH+](C)CCCCn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572970 179098450 /nfs/dbraw/zinc/09/84/50/179098450.db2.gz GMWUFJHXUQPUNN-UHFFFAOYSA-N 2 0 278.444 2.168 10 0 CEAERP CC(C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@H](C)CC[NH2+]1 ZINC000085618231 179104750 /nfs/dbraw/zinc/10/47/50/179104750.db2.gz PWPQWOCMGKYIGU-KKUMJFAQSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCN[C@](C)(c2ccccc2)C1 ZINC000086146684 179238359 /nfs/dbraw/zinc/23/83/59/179238359.db2.gz GFGKBXXZLFWXIP-KRWDZBQOSA-N 2 0 275.440 2.149 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C(C)C)C[NH2+]1 ZINC000086173760 179244509 /nfs/dbraw/zinc/24/45/09/179244509.db2.gz CPGBFYFSCGXKOI-YESZJQIVSA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH+]1CCC(CN2CC[NH2+]C[C@@H]2c2ccccc2)CC1 ZINC000086177549 179246565 /nfs/dbraw/zinc/24/65/65/179246565.db2.gz HGXNQDMPMYQZTA-GOSISDBHSA-N 2 0 287.451 2.365 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223970 179253742 /nfs/dbraw/zinc/25/37/42/179253742.db2.gz KFKRHWOOPQUDPX-HZPDHXFCSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@@](C)(C3CC3)C2)CC1 ZINC000086290270 179265388 /nfs/dbraw/zinc/26/53/88/179265388.db2.gz QZIJSTYKLRGVOC-QGZVFWFLSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH2+]1 ZINC000086259250 179258008 /nfs/dbraw/zinc/25/80/08/179258008.db2.gz RPNTYUOCPDMVES-ARFHVFGLSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+](C)CCCN1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086286970 179264106 /nfs/dbraw/zinc/26/41/06/179264106.db2.gz AJQUIFUPJIQLDP-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCC[C@@H](N2CCC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086288936 179264216 /nfs/dbraw/zinc/26/42/16/179264216.db2.gz NVSXFLAPBLCVJZ-QZTJIDSGSA-N 2 0 287.451 2.291 10 0 CEAERP CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086289411 179264425 /nfs/dbraw/zinc/26/44/25/179264425.db2.gz JZKGDSOYSJTQFV-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288764 179265024 /nfs/dbraw/zinc/26/50/24/179265024.db2.gz OZQFRHJIOZDSNF-MRXNPFEDSA-N 2 0 259.397 2.088 10 0 CEAERP C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259088 179256432 /nfs/dbraw/zinc/25/64/32/179256432.db2.gz HLVSYFYISIAIIJ-ZFWWWQNUSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255941 179256692 /nfs/dbraw/zinc/25/66/92/179256692.db2.gz IINGHYHBOCIPOV-HRCADAONSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)(C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291399 179265699 /nfs/dbraw/zinc/26/56/99/179265699.db2.gz MRKQTFLBUNMGMW-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@@H+]1CCC[C@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086291627 179266363 /nfs/dbraw/zinc/26/63/63/179266363.db2.gz DRHJMQWTVMUGDV-WMZOPIPTSA-N 2 0 287.451 2.365 10 0 CEAERP CO[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293550 179268365 /nfs/dbraw/zinc/26/83/65/179268365.db2.gz SINMLWBNTGBYJB-RDBSUJKOSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N(C)C[C@@H]3CC[N@H+](C)C3)nc21 ZINC000086444118 179293912 /nfs/dbraw/zinc/29/39/12/179293912.db2.gz WKTOVOLSYZGNKH-VXGBXAGGSA-N 2 0 294.468 2.128 10 0 CEAERP CC(C)n1c2ccc(C[NH3+])cc2nc1CC[NH+](C)C ZINC000086641463 179315224 /nfs/dbraw/zinc/31/52/24/179315224.db2.gz NALWQEGGNVRZSI-UHFFFAOYSA-N 2 0 260.385 2.180 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CCCc3ccccc3C2)CC1 ZINC000086819591 179347961 /nfs/dbraw/zinc/34/79/61/179347961.db2.gz LVGVTTQPRSVPKP-SFHVURJKSA-N 2 0 287.451 2.248 10 0 CEAERP C[NH+](C)C[C@H](N[C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817303 179344603 /nfs/dbraw/zinc/34/46/03/179344603.db2.gz FYKOKTUEBXEPPJ-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH+](C)C[C@H](N[C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817304 179345212 /nfs/dbraw/zinc/34/52/12/179345212.db2.gz FYKOKTUEBXEPPJ-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccc(F)cc2)CC1 ZINC000086848296 179356950 /nfs/dbraw/zinc/35/69/50/179356950.db2.gz LDAJSXCALOQPMN-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848646 179357342 /nfs/dbraw/zinc/35/73/42/179357342.db2.gz QBXNQXSORLOODG-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843110 179352430 /nfs/dbraw/zinc/35/24/30/179352430.db2.gz PKUJEYMVBLZYFC-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840949 179353360 /nfs/dbraw/zinc/35/33/60/179353360.db2.gz DFJOQBFREANEBY-MRXNPFEDSA-N 2 0 261.413 2.477 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844091 179354417 /nfs/dbraw/zinc/35/44/17/179354417.db2.gz VPEHOOVFWMEGMS-SHARSMKWSA-N 3 0 253.434 2.109 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000086843858 179354670 /nfs/dbraw/zinc/35/46/70/179354670.db2.gz CCZQAGNTJZCTMQ-ZNMIVQPWSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850955 179358154 /nfs/dbraw/zinc/35/81/54/179358154.db2.gz OCBITAXPYDTBAK-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848959 179358378 /nfs/dbraw/zinc/35/83/78/179358378.db2.gz LGKBTLYMWVPZSW-QGZVFWFLSA-N 2 0 279.472 2.454 10 0 CEAERP C1C[NH2+][C@H](C2CC[NH+]([C@H]3CCCOCC3)CC2)C1 ZINC000086876875 179365710 /nfs/dbraw/zinc/36/57/10/179365710.db2.gz LFLLCMQJYANXEW-GJZGRUSLSA-N 2 0 252.402 2.020 10 0 CEAERP CC[C@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917016 179367785 /nfs/dbraw/zinc/36/77/85/179367785.db2.gz GIPZLFBYJCEEBD-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+][C@H](C)C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000087459245 179429306 /nfs/dbraw/zinc/42/93/06/179429306.db2.gz AYAZCSPDFIEKRV-CYBMUJFWSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@@H](C)CCC[C@H](C)[NH3+])CC1 ZINC000087699148 179473036 /nfs/dbraw/zinc/47/30/36/179473036.db2.gz RPNJTNYMIGFCRD-KBPBESRZSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2CC[NH+](C)C ZINC000087862382 179504513 /nfs/dbraw/zinc/50/45/13/179504513.db2.gz XYURQUMUKDJEEF-CQSZACIVSA-N 2 0 278.444 2.458 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1CCCCCCC1 ZINC000090566082 180005896 /nfs/dbraw/zinc/00/58/96/180005896.db2.gz NTPVGRFCZRLWAX-HUUCEWRRSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC000090566079 180006005 /nfs/dbraw/zinc/00/60/05/180006005.db2.gz VAHJOHBGKIIGNW-SJORKVTESA-N 2 0 276.424 2.441 10 0 CEAERP C[C@@]1(C[NH+]2CCC3(CCCC3)CC2)COC[C@@H]1[NH3+] ZINC000090621046 180014172 /nfs/dbraw/zinc/01/41/72/180014172.db2.gz GQJQALVHODRUMQ-UONOGXRCSA-N 2 0 252.402 2.006 10 0 CEAERP O=C(C[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694624 180026413 /nfs/dbraw/zinc/02/64/13/180026413.db2.gz HYNVHQWSKYPJJC-INIZCTEOSA-N 2 0 287.407 2.089 10 0 CEAERP COCC[NH2+]Cc1cccc(SCC[NH+](C)C)c1 ZINC000090873279 180050212 /nfs/dbraw/zinc/05/02/12/180050212.db2.gz GESKJMITNASHGS-UHFFFAOYSA-N 2 0 268.426 2.076 10 0 CEAERP CC[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CC[NH2+]CC1 ZINC000090894265 180056381 /nfs/dbraw/zinc/05/63/81/180056381.db2.gz ACQHMYQYXLZFFZ-HNNXBMFYSA-N 2 0 278.371 2.203 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)O2 ZINC000090897787 180057274 /nfs/dbraw/zinc/05/72/74/180057274.db2.gz YXJCWTUCNNHPPL-INIZCTEOSA-N 2 0 274.408 2.230 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]CC(C)(C)C[NH+](C)C)O2 ZINC000090897125 180057350 /nfs/dbraw/zinc/05/73/50/180057350.db2.gz JFITVVIHOOGUOX-HNNXBMFYSA-N 2 0 276.424 2.476 10 0 CEAERP CCC[C@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376914 539758143 /nfs/dbraw/zinc/75/81/43/539758143.db2.gz BACVTAJZFUQJBN-SJORKVTESA-N 2 0 276.424 2.389 10 0 CEAERP CC(C)[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000091313563 180133016 /nfs/dbraw/zinc/13/30/16/180133016.db2.gz ALKAZHCCAUWRBS-INIZCTEOSA-N 2 0 262.397 2.276 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1ccc(C)cc1 ZINC000091322610 180134714 /nfs/dbraw/zinc/13/47/14/180134714.db2.gz XWJHHZHYDNMKIO-INIZCTEOSA-N 2 0 291.439 2.013 10 0 CEAERP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358783 180140737 /nfs/dbraw/zinc/14/07/37/180140737.db2.gz GZJWIYREXXMKMB-ILXRZTDVSA-N 2 0 295.471 2.001 10 0 CEAERP CC[N@H+](Cc1cncn1C(C)C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091273115 180118245 /nfs/dbraw/zinc/11/82/45/180118245.db2.gz CCVKKNDTXGIJLU-HIFRSBDPSA-N 2 0 264.417 2.413 10 0 CEAERP C[NH2+]Cc1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C1CC1 ZINC000091432008 180153609 /nfs/dbraw/zinc/15/36/09/180153609.db2.gz WIBGEHBWIMIYNL-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000091433158 180153743 /nfs/dbraw/zinc/15/37/43/180153743.db2.gz LQMIKGSDALHZRB-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091393979 180145537 /nfs/dbraw/zinc/14/55/37/180145537.db2.gz XEMDASKPUORCDC-HUUCEWRRSA-N 2 0 283.460 2.084 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394643 180146669 /nfs/dbraw/zinc/14/66/69/180146669.db2.gz NLNHBPPICMLYAE-XEZPLFJOSA-N 2 0 279.403 2.240 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000091405116 180146829 /nfs/dbraw/zinc/14/68/29/180146829.db2.gz APCPDXUPTHPFAZ-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)CC1CCOCC1 ZINC000091405184 180147142 /nfs/dbraw/zinc/14/71/42/180147142.db2.gz CYORYHDMXKIKMS-CYBMUJFWSA-N 2 0 256.434 2.369 10 0 CEAERP CC[N@H+](Cc1ccc(O)c(OC)c1)C1CCC([NH3+])CC1 ZINC000091849826 180272431 /nfs/dbraw/zinc/27/24/31/180272431.db2.gz OLSGDWXKOWPWGN-UHFFFAOYSA-N 2 0 278.396 2.493 10 0 CEAERP CC[N@H+](CCO[C@H]1CCCCO1)C1CCC([NH3+])CC1 ZINC000091850929 180272566 /nfs/dbraw/zinc/27/25/66/180272566.db2.gz NMGMPOUAJYYIJN-NRXISQOPSA-N 2 0 270.417 2.121 10 0 CEAERP C[N@H+](CC(=O)Nc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000091846656 180270194 /nfs/dbraw/zinc/27/01/94/180270194.db2.gz TZHPLHDOIWOEID-UHFFFAOYSA-N 2 0 297.349 2.105 10 0 CEAERP COC(=O)[C@@H](C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091847819 180270846 /nfs/dbraw/zinc/27/08/46/180270846.db2.gz ODFXXZZRKAQCFZ-GPANFISMSA-N 2 0 290.407 2.145 10 0 CEAERP CC[N@H+](C[C@@H](O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850703 180272204 /nfs/dbraw/zinc/27/22/04/180272204.db2.gz RDUAWTATLUAIAT-UYSNPLJNSA-N 2 0 262.397 2.312 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870608 180276918 /nfs/dbraw/zinc/27/69/18/180276918.db2.gz GUKSRVYUCIZHTL-HLIUYOAVSA-N 2 0 295.471 2.286 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H]2CCCC[C@@H]2O)CC1 ZINC000091870458 180277386 /nfs/dbraw/zinc/27/73/86/180277386.db2.gz KVYCJSFTLSSSGU-CVSAEHQPSA-N 2 0 254.418 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccn(C(C)C)n2)CC1 ZINC000091870689 180277530 /nfs/dbraw/zinc/27/75/30/180277530.db2.gz AWVIREZOGJFPTQ-UHFFFAOYSA-N 2 0 264.417 2.426 10 0 CEAERP C[C@@H]1C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082100 180319383 /nfs/dbraw/zinc/31/93/83/180319383.db2.gz VSZIKZGBJOKAFQ-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCOCC1 ZINC000092088578 180321096 /nfs/dbraw/zinc/32/10/96/180321096.db2.gz YWXXWXHFNRXDQL-GASCZTMLSA-N 2 0 268.445 2.371 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000092090225 180322594 /nfs/dbraw/zinc/32/25/94/180322594.db2.gz RHATYUGWQNRVLQ-JYJNAYRXSA-N 2 0 270.461 2.494 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267755 180355413 /nfs/dbraw/zinc/35/54/13/180355413.db2.gz AMSMMZGRYKQSSI-JSGCOSHPSA-N 2 0 262.422 2.245 10 0 CEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2ccccc2S1 ZINC000092268039 180355600 /nfs/dbraw/zinc/35/56/00/180355600.db2.gz UJQNDYNECWNJGX-RZFFKMDDSA-N 2 0 274.433 2.243 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H](CO)C(C)C)CC1 ZINC000092392763 180376322 /nfs/dbraw/zinc/37/63/22/180376322.db2.gz GTZFLONYFUAQDD-HIFRSBDPSA-N 2 0 256.434 2.103 10 0 CEAERP CCNc1cc[nH+]c(CN(C)C2CC[NH+](CC)CC2)c1 ZINC000092418644 180380983 /nfs/dbraw/zinc/38/09/83/180380983.db2.gz VHAMXYYNLXRQHO-UHFFFAOYSA-N 2 0 276.428 2.430 10 0 CEAERP CCNc1cc[nH+]c(CN(C)C2CC[NH+](C)CC2)c1 ZINC000092417979 180381292 /nfs/dbraw/zinc/38/12/92/180381292.db2.gz KYGUTSCVOSEGTC-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[NH+](C(C)C)CC2)c1 ZINC000092418189 180381325 /nfs/dbraw/zinc/38/13/25/180381325.db2.gz IWWKBKXIIPBRRV-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP CC[NH2+][C@@H](C)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496289 186256475 /nfs/dbraw/zinc/25/64/75/186256475.db2.gz VEMBHGHCXWWDBP-NEPJUHHUSA-N 2 0 268.405 2.055 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000109604116 186267652 /nfs/dbraw/zinc/26/76/52/186267652.db2.gz JZUJQUPZXCVQCY-CQSZACIVSA-N 2 0 294.370 2.202 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1C ZINC000110275611 186289759 /nfs/dbraw/zinc/28/97/59/186289759.db2.gz PSZNACMKKZYPGV-CYBMUJFWSA-N 2 0 294.468 2.236 10 0 CEAERP C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110371133 186294012 /nfs/dbraw/zinc/29/40/12/186294012.db2.gz MXCPLZLNDOBHGG-FJIDUMEYSA-N 2 0 291.483 2.467 10 0 CEAERP CCCC[C@@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371191 186294075 /nfs/dbraw/zinc/29/40/75/186294075.db2.gz QMCYMLJWZNCUCY-CABCVRRESA-N 2 0 253.434 2.064 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000110370649 186294926 /nfs/dbraw/zinc/29/49/26/186294926.db2.gz YAZKDUNDOOOVOX-ROUUACIJSA-N 2 0 287.451 2.117 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CC(C)(C)C[NH+](C)C ZINC000110629210 186306877 /nfs/dbraw/zinc/30/68/77/186306877.db2.gz VYDAEDLUTGSZKQ-UHFFFAOYSA-N 2 0 294.374 2.354 10 0 CEAERP CCn1cc([C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000110645694 186308907 /nfs/dbraw/zinc/30/89/07/186308907.db2.gz LSDHHTFNEHSMFD-RYUDHWBXSA-N 2 0 250.390 2.023 10 0 CEAERP C[N@H+](CC1CCCC1)C[C@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841813 186328636 /nfs/dbraw/zinc/32/86/36/186328636.db2.gz YFQFVGVCDILDFX-MRXNPFEDSA-N 2 0 266.429 2.267 10 0 CEAERP CC[C@@H]1CN([C@@H](c2sccc2C)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703968 186313847 /nfs/dbraw/zinc/31/38/47/186313847.db2.gz JBVYDPQJRZKORY-MGPQQGTHSA-N 2 0 281.469 2.471 10 0 CEAERP CN1CC[N@H+](Cc2oc3ccccc3c2C[NH3+])CC1(C)C ZINC000110754637 186320883 /nfs/dbraw/zinc/32/08/83/186320883.db2.gz QHDCRCTVUMLVNM-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP CCN1CC[N@H+](CCCCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752522 186321174 /nfs/dbraw/zinc/32/11/74/186321174.db2.gz GBJOGHTVMSKCKN-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CC[N@@H+]1C ZINC000110757264 186321443 /nfs/dbraw/zinc/32/14/43/186321443.db2.gz HOIOQDBIHXLTKX-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1C[N@H+](CCCCC[NH2+]C(C)(C)C)CCN1C ZINC000110751251 186321503 /nfs/dbraw/zinc/32/15/03/186321503.db2.gz SLROMWUPFONACD-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[N@@H+]1CCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1(C)C ZINC000110754990 186322112 /nfs/dbraw/zinc/32/21/12/186322112.db2.gz NRIHVBGXONENPG-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)CCC[NH+](C)C)c(C)o1 ZINC000111150364 186360926 /nfs/dbraw/zinc/36/09/26/186360926.db2.gz SFDBVCZMZAVLSN-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP CC[NH+](CC)Cc1ccccc1C[NH2+]CC(OC)OC ZINC000111111844 186353261 /nfs/dbraw/zinc/35/32/61/186353261.db2.gz OIJDREDPQUWIFM-UHFFFAOYSA-N 2 0 280.412 2.237 10 0 CEAERP C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CC[NH+](C)C)C1 ZINC000111132457 186356333 /nfs/dbraw/zinc/35/63/33/186356333.db2.gz BIOCJZXENDPPHT-DZGCQCFKSA-N 2 0 255.450 2.024 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1C ZINC000111134950 186357016 /nfs/dbraw/zinc/35/70/16/186357016.db2.gz MHJREYKEUKVEGO-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000111134914 186357121 /nfs/dbraw/zinc/35/71/21/186357121.db2.gz RGIDRFAPDGEITP-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136337 186357154 /nfs/dbraw/zinc/35/71/54/186357154.db2.gz YVOYOEFCVHQOKK-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCc1ccc([C@@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136125 186357421 /nfs/dbraw/zinc/35/74/21/186357421.db2.gz YYYKUKXINNVYKM-INIZCTEOSA-N 2 0 263.429 2.132 10 0 CEAERP C[NH2+]Cc1cc2ccccc2nc1N(C)CCC[NH+](C)C ZINC000111140987 186357519 /nfs/dbraw/zinc/35/75/19/186357519.db2.gz JVEQUOWUXYJQHX-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CCC[NH+](C)C ZINC000111136319 186357868 /nfs/dbraw/zinc/35/78/68/186357868.db2.gz OEYUWMGDZZCBLF-IAGOWNOFSA-N 2 0 275.440 2.145 10 0 CEAERP CN(CC[NH+](C)C)C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000111135381 186357964 /nfs/dbraw/zinc/35/79/64/186357964.db2.gz UDIUKVGPYWBKAF-CYBMUJFWSA-N 2 0 289.345 2.199 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN(C)CCC[NH+](C)C ZINC000111147805 186358542 /nfs/dbraw/zinc/35/85/42/186358542.db2.gz XMJBNGAGVKEFTE-OAHLLOKOSA-N 2 0 257.466 2.286 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N(C)CCC[NH+](C)C)c1 ZINC000111149329 186358943 /nfs/dbraw/zinc/35/89/43/186358943.db2.gz PQOKOKBRDNYEJB-UHFFFAOYSA-N 2 0 278.444 2.215 10 0 CEAERP CCC[NH2+]C[C@]1(C[NH+]2CCCCC2)CCCOC1 ZINC000111324016 186397775 /nfs/dbraw/zinc/39/77/75/186397775.db2.gz ZIRRFSWBNROXIU-HNNXBMFYSA-N 2 0 254.418 2.269 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[N@H+](C)C[C@@H]2CCCO2)CCCOC1 ZINC000111327146 186398077 /nfs/dbraw/zinc/39/80/77/186398077.db2.gz GEUDSXYFFLOFEZ-IRXDYDNUSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111324722 186398815 /nfs/dbraw/zinc/39/88/15/186398815.db2.gz IQWGDRPTLYVIQM-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327406 186399296 /nfs/dbraw/zinc/39/92/96/186399296.db2.gz GJPBOACUUIPACI-KRWDZBQOSA-N 2 0 298.471 2.020 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)CCOCC)CCCOC1 ZINC000111329795 186399861 /nfs/dbraw/zinc/39/98/61/186399861.db2.gz URVHJQCGTFGTRT-INIZCTEOSA-N 2 0 286.460 2.141 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000111481986 186422332 /nfs/dbraw/zinc/42/23/32/186422332.db2.gz CEVWVFQHZRWIPF-INIZCTEOSA-N 2 0 273.424 2.171 10 0 CEAERP C[NH+](C)CC1CCN(c2ccc(F)cc2CC[NH3+])CC1 ZINC000111483945 186422566 /nfs/dbraw/zinc/42/25/66/186422566.db2.gz RMIXYNIFRNGQDE-UHFFFAOYSA-N 2 0 279.403 2.105 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(N(C)CCC[NH+](C)C)c(F)c1 ZINC000111498415 186424784 /nfs/dbraw/zinc/42/47/84/186424784.db2.gz STFADJGDICJTMS-CQSZACIVSA-N 2 0 281.419 2.493 10 0 CEAERP CC(C)C[NH+](CCOC1CC[NH2+]CC1)CC(C)C ZINC000111760856 186455113 /nfs/dbraw/zinc/45/51/13/186455113.db2.gz NAFFJEVTQINPDN-UHFFFAOYSA-N 2 0 256.434 2.369 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440785 539879490 /nfs/dbraw/zinc/87/94/90/539879490.db2.gz VUXXLYGTRUPVBC-DOTOQJQBSA-N 2 0 279.472 2.325 10 0 CEAERP CCO[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)C[C@H]1C[NH3+] ZINC000405316044 540134228 /nfs/dbraw/zinc/13/42/28/540134228.db2.gz WUFYWTKKLIJVBG-FRRDWIJNSA-N 2 0 276.371 2.108 10 0 CEAERP OCC[C@H]([NH2+]C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100282911 364543752 /nfs/dbraw/zinc/54/37/52/364543752.db2.gz OZUTYNJENZEIRC-WMZOPIPTSA-N 2 0 288.435 2.402 10 0 CEAERP CCC[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000161600404 367100210 /nfs/dbraw/zinc/10/02/10/367100210.db2.gz JHCMKJJQQXVSPY-OWCLPIDISA-N 2 0 297.487 2.201 10 0 CEAERP CCC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094208 368367639 /nfs/dbraw/zinc/36/76/39/368367639.db2.gz IDWATPKTEDZISZ-LSDHHAIUSA-N 2 0 270.461 2.447 10 0 CEAERP CCC[C@@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+](C)C ZINC000183102408 368610805 /nfs/dbraw/zinc/61/08/05/368610805.db2.gz UZZHSQKJUHLMTC-CABCVRRESA-N 2 0 283.460 2.097 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236914137 189851858 /nfs/dbraw/zinc/85/18/58/189851858.db2.gz SUCCNPHBMFHTFP-MRXNPFEDSA-N 2 0 295.471 2.228 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000250239443 371381376 /nfs/dbraw/zinc/38/13/76/371381376.db2.gz HCXWHWKMMJJCEV-LUKYLMHMSA-N 2 0 279.472 2.371 10 0 CEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261590906 371667310 /nfs/dbraw/zinc/66/73/10/371667310.db2.gz LSJRUEXVVVLBGM-AEGPPILISA-N 2 0 260.381 2.173 10 0 CEAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705475 371706853 /nfs/dbraw/zinc/70/68/53/371706853.db2.gz CXCABVWRVHHJQO-RDJZCZTQSA-N 3 0 288.439 2.123 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3scnc3C3CC3)C[C@@H]12 ZINC000261755623 371721371 /nfs/dbraw/zinc/72/13/71/371721371.db2.gz CNBOOZTVMOUECM-IJLUTSLNSA-N 2 0 263.410 2.190 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@H]12 ZINC000261789394 371732675 /nfs/dbraw/zinc/73/26/75/371732675.db2.gz QHXPBIVYRXKXIJ-OWCLPIDISA-N 2 0 267.376 2.404 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000261803670 371737281 /nfs/dbraw/zinc/73/72/81/371737281.db2.gz HEKFGXAKBXSLJD-HUUCEWRRSA-N 2 0 282.428 2.088 10 0 CEAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(CN)n1 ZINC000262259627 371843392 /nfs/dbraw/zinc/84/33/92/371843392.db2.gz QZMSXQFIVNDWLY-MNOVXSKESA-N 2 0 266.389 2.223 10 0 CEAERP c1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000211319014 541861289 /nfs/dbraw/zinc/86/12/89/541861289.db2.gz PZUVWJAGDCOMED-ROUUACIJSA-N 2 0 286.419 2.476 10 0 CEAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1C ZINC000344320891 217147991 /nfs/dbraw/zinc/14/79/91/217147991.db2.gz IVNDLKBXSRFHHI-GFCCVEGCSA-N 2 0 276.428 2.432 10 0 CEAERP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)nc(C)n1 ZINC000272865736 373686037 /nfs/dbraw/zinc/68/60/37/373686037.db2.gz MVZQISBTRGBRKS-GJZGRUSLSA-N 2 0 274.412 2.410 10 0 CEAERP CCOCC[N@@H+]1CCN(c2cc[nH+]c(C)c2)C[C@H]1CC ZINC000274320574 373878602 /nfs/dbraw/zinc/87/86/02/373878602.db2.gz CQJFMKNLZIDOGC-OAHLLOKOSA-N 2 0 277.412 2.327 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000423006381 376926859 /nfs/dbraw/zinc/92/68/59/376926859.db2.gz OLGALLIVDFDGQQ-NRXISQOPSA-N 2 0 254.418 2.177 10 0 CEAERP CC1CC[NH+](CCCC[C@](C)(CO)[NH2+]C2CC2)CC1 ZINC000085217778 184605750 /nfs/dbraw/zinc/60/57/50/184605750.db2.gz YPIACHBHDJYSTG-MRXNPFEDSA-N 2 0 268.445 2.392 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)C[NH2+]CC(C)C ZINC000092675596 184620664 /nfs/dbraw/zinc/62/06/64/184620664.db2.gz XCOOTXKHEYWICG-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+](C)C ZINC000080998660 177752061 /nfs/dbraw/zinc/75/20/61/177752061.db2.gz NXGNEOMWZCLRQD-GJZGRUSLSA-N 2 0 283.460 2.001 10 0 CEAERP COCC1CC[NH+]([C@H]2CCC[C@](CO)([NH2+]C(C)C)C2)CC1 ZINC000093781155 184720041 /nfs/dbraw/zinc/72/00/41/184720041.db2.gz OJFVICGNFCJEDF-IRXDYDNUSA-N 2 0 298.471 2.017 10 0 CEAERP CCC[N@H+](CC1CC[NH2+]CC1)C1CCC2(CC1)OCCO2 ZINC000094011956 184750090 /nfs/dbraw/zinc/75/00/90/184750090.db2.gz ULWWROLWTPFCLH-UHFFFAOYSA-N 2 0 296.455 2.384 10 0 CEAERP CN(CC[NH+]1CCCC1)C[C@@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000094288460 184775574 /nfs/dbraw/zinc/77/55/74/184775574.db2.gz UWNXVVJYZSJHGL-LSDHHAIUSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCOC2(CCCCC2)C1 ZINC000094384625 184792478 /nfs/dbraw/zinc/79/24/78/184792478.db2.gz NDSHXIMIKLVEHW-FPCVCCKLSA-N 2 0 278.440 2.408 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@]2(C)CCCO2)CC1 ZINC000094797843 184866407 /nfs/dbraw/zinc/86/64/07/184866407.db2.gz NFQXBRLBVQTQBS-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2C2CC2)CC1 ZINC000094527458 184813803 /nfs/dbraw/zinc/81/38/03/184813803.db2.gz ZFVIQASZIDIGDL-KRWDZBQOSA-N 2 0 273.424 2.201 10 0 CEAERP CSC1(C[NH3+])CC[NH+](Cc2cccc(O)c2)CC1 ZINC000094692301 184840191 /nfs/dbraw/zinc/84/01/91/184840191.db2.gz FFFNIFTZUDRSMY-UHFFFAOYSA-N 2 0 266.410 2.049 10 0 CEAERP CCC[C@H](C[NH3+])C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000087535301 135050923 /nfs/dbraw/zinc/05/09/23/135050923.db2.gz SANJEYNRLQSABN-OAHLLOKOSA-N 2 0 291.439 2.192 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000089482651 135059420 /nfs/dbraw/zinc/05/94/20/135059420.db2.gz ZCDLUZOGHSZJSB-CABCVRRESA-N 2 0 291.414 2.323 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ccc2C(N)=[NH2+])C1 ZINC000091394503 135069019 /nfs/dbraw/zinc/06/90/19/135069019.db2.gz BMZFOUMUQRERHL-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091449208 135070305 /nfs/dbraw/zinc/07/03/05/135070305.db2.gz VJOAYDCFACKBQV-HNNXBMFYSA-N 2 0 290.455 2.338 10 0 CEAERP Cc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000301635527 394463349 /nfs/dbraw/zinc/46/33/49/394463349.db2.gz DXRZOIZSIGBWSC-IAGOWNOFSA-N 2 0 283.375 2.062 10 0 CEAERP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400449724 395252717 /nfs/dbraw/zinc/25/27/17/395252717.db2.gz OKLAYQCNADKQFT-GJZGRUSLSA-N 2 0 267.461 2.229 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000575372942 395661206 /nfs/dbraw/zinc/66/12/06/395661206.db2.gz JSZSJVZGSFKTNQ-TZMCWYRMSA-N 2 0 250.361 2.346 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000647796864 395756538 /nfs/dbraw/zinc/75/65/38/395756538.db2.gz QBECDYAOAMCBSK-JXEZDRHFSA-N 2 0 266.429 2.168 10 0 CEAERP [NH3+]C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000262786416 153985389 /nfs/dbraw/zinc/98/53/89/153985389.db2.gz MSSMGFUYWHVQHV-MRXNPFEDSA-N 2 0 297.402 2.227 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000006850838 170248950 /nfs/dbraw/zinc/24/89/50/170248950.db2.gz VSXMCXMPHABKPM-AWEZNQCLSA-N 2 0 262.397 2.441 10 0 CEAERP COc1cccc(CC[NH3+])c1OCC[NH+]1CCCCC1 ZINC000011949125 170460415 /nfs/dbraw/zinc/46/04/15/170460415.db2.gz OQWJWJIQZONZIB-UHFFFAOYSA-N 2 0 278.396 2.061 10 0 CEAERP [NH3+]C[C@H](c1ccccc1Cl)N1CC[NH+](CC2CC2)CC1 ZINC000020179622 171044018 /nfs/dbraw/zinc/04/40/18/171044018.db2.gz ISTSJGAFVOECPU-MRXNPFEDSA-N 2 0 293.842 2.367 10 0 CEAERP CCCCCC[C@H](C[NH3+])N1CC[NH+](CCC)CC1 ZINC000020520614 171234037 /nfs/dbraw/zinc/23/40/37/171234037.db2.gz INHITHLQUYIWGD-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[NH+]1CCN([C@H](C)[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000023069822 171410187 /nfs/dbraw/zinc/41/01/87/171410187.db2.gz CYPMWNOHZXIJIK-RHSMWYFYSA-N 2 0 291.439 2.111 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484572 173228698 /nfs/dbraw/zinc/22/86/98/173228698.db2.gz GDJRVYWHYKQUGO-LBPRGKRZSA-N 2 0 283.213 2.490 10 0 CEAERP CCCC1CCC([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000037496846 173236084 /nfs/dbraw/zinc/23/60/84/173236084.db2.gz SVIHAMLNZKZJRJ-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000038040731 174041157 /nfs/dbraw/zinc/04/11/57/174041157.db2.gz DWKWVCJAFSLSOF-UHFFFAOYSA-N 3 0 275.440 2.370 10 0 CEAERP C[NH2+]Cc1nc2ccc(Cl)cc2n1CCC[NH+](C)C ZINC000040404366 174253831 /nfs/dbraw/zinc/25/38/31/174253831.db2.gz BSYPBILUNXOYIP-UHFFFAOYSA-N 2 0 280.803 2.361 10 0 CEAERP CC[NH+](CC)CCN[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671166 174369004 /nfs/dbraw/zinc/36/90/04/174369004.db2.gz XXYRNOHGOPFGBK-GOSISDBHSA-N 2 0 289.467 2.235 10 0 CEAERP [NH3+][C@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693915 174377651 /nfs/dbraw/zinc/37/76/51/174377651.db2.gz FQGRPJADKMWKSF-JKSUJKDBSA-N 2 0 265.445 2.207 10 0 CEAERP CCC[C@](C)([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694474 174378330 /nfs/dbraw/zinc/37/83/30/174378330.db2.gz FOYYZVNDSBICIX-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP COc1ccc([C@H]([C@@H](C)[NH3+])N2CCC([NH+](C)C)CC2)cc1 ZINC000042961146 174925849 /nfs/dbraw/zinc/92/58/49/174925849.db2.gz QVMYQEAWJJDDHN-DYVFJYSZSA-N 2 0 291.439 2.110 10 0 CEAERP CC(C)[NH+]1CCN([C@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000043043823 174955483 /nfs/dbraw/zinc/95/54/83/174955483.db2.gz MLZUFZBDYCIEOE-CJNGLKHVSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1OC)N1CC[NH+](CC)CC1 ZINC000043096836 174964933 /nfs/dbraw/zinc/96/49/33/174964933.db2.gz ZRQVMSWPKMFDNY-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347513 175017731 /nfs/dbraw/zinc/01/77/31/175017731.db2.gz CGTXGVFQUKOJMJ-HZPDHXFCSA-N 2 0 290.455 2.276 10 0 CEAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2C)CC1 ZINC000043805820 175107521 /nfs/dbraw/zinc/10/75/21/175107521.db2.gz LOODPUPTNGLJFT-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806008 175108452 /nfs/dbraw/zinc/10/84/52/175108452.db2.gz XGQZEGXCQUMILE-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043810845 175109986 /nfs/dbraw/zinc/10/99/86/175109986.db2.gz HFHFAZLDLBIHMM-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP CCC[NH2+][C@@H](CCC)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043811040 175110008 /nfs/dbraw/zinc/11/00/08/175110008.db2.gz CNYVSIGHDFGZMZ-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000043818235 175113026 /nfs/dbraw/zinc/11/30/26/175113026.db2.gz CRUHXEXWLMSRTL-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP C[N@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC(C)(C)C ZINC000045074254 175302558 /nfs/dbraw/zinc/30/25/58/175302558.db2.gz MWUNNTONDRNMGS-UHFFFAOYSA-N 2 0 263.385 2.327 10 0 CEAERP CC[NH2+][C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135376 175312414 /nfs/dbraw/zinc/31/24/14/175312414.db2.gz QJUBFWXXQUNRQH-HRCADAONSA-N 2 0 267.461 2.037 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135562 175313592 /nfs/dbraw/zinc/31/35/92/175313592.db2.gz QINXHMZGLLUFKE-OAHLLOKOSA-N 2 0 297.487 2.378 10 0 CEAERP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045368278 175362902 /nfs/dbraw/zinc/36/29/02/175362902.db2.gz DIYLKUSKHWNLJE-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCCC[N@H+](C)CCCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045368258 175363242 /nfs/dbraw/zinc/36/32/42/175363242.db2.gz UNBXVFSJZJZQTG-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP C[C@@](CCCC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045371481 175364243 /nfs/dbraw/zinc/36/42/43/175364243.db2.gz JKTKKNDILZWUOX-KRWDZBQOSA-N 2 0 295.471 2.419 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)[C@@H](C)CC)C(N)=O ZINC000045385524 175371863 /nfs/dbraw/zinc/37/18/63/175371863.db2.gz DSHJPGYGFZLTLV-ZFWWWQNUSA-N 2 0 271.449 2.131 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](CC)C1CCCC1 ZINC000045390582 175374805 /nfs/dbraw/zinc/37/48/05/175374805.db2.gz CQNMHRRNEJVGPG-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390645 175374811 /nfs/dbraw/zinc/37/48/11/175374811.db2.gz CWAQLYRAHADRCU-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123782 176034939 /nfs/dbraw/zinc/03/49/39/176034939.db2.gz KRIPWZWFVRIPQK-ILXRZTDVSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([N@H+](CCCOC)CCOC)C1 ZINC000071124061 176035368 /nfs/dbraw/zinc/03/53/68/176035368.db2.gz TUXQLLNNEBOSBD-HZPDHXFCSA-N 2 0 286.460 2.269 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000071124823 176035412 /nfs/dbraw/zinc/03/54/12/176035412.db2.gz NNTOKWSDWXDTNB-YESZJQIVSA-N 2 0 279.472 2.454 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](CC(C)(C)C(=O)Nc2ccccc2)C1 ZINC000071146122 176042479 /nfs/dbraw/zinc/04/24/79/176042479.db2.gz ZEHQLJFEPDIIOC-AWEZNQCLSA-N 2 0 289.423 2.193 10 0 CEAERP C[C@H]1CCC[C@H]([N@@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147420 176043521 /nfs/dbraw/zinc/04/35/21/176043521.db2.gz MALFUXHMXQYHQQ-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147711 176044198 /nfs/dbraw/zinc/04/41/98/176044198.db2.gz UZNVZRSTSUXLAJ-GJZGRUSLSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000071161861 176046603 /nfs/dbraw/zinc/04/66/03/176046603.db2.gz NLSJIXQXJNXJEJ-IRXDYDNUSA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188095 176061883 /nfs/dbraw/zinc/06/18/83/176061883.db2.gz OKGCUUBLTOPYFF-NFAWXSAZSA-N 2 0 281.469 2.410 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188082 176062358 /nfs/dbraw/zinc/06/23/58/176062358.db2.gz WUNPGMQCROCONR-ZENOOKHLSA-N 2 0 279.403 2.098 10 0 CEAERP C[C@@H](C[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188448 176062753 /nfs/dbraw/zinc/06/27/53/176062753.db2.gz SWOCKCVDRCRMJJ-LZLYRXPVSA-N 2 0 289.467 2.391 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC000071188327 176063150 /nfs/dbraw/zinc/06/31/50/176063150.db2.gz MATVTRDVYFBDEZ-HIFRSBDPSA-N 2 0 281.469 2.248 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188783 176063300 /nfs/dbraw/zinc/06/33/00/176063300.db2.gz ARTXEKGNDIEQGU-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)c(C)c1 ZINC000071188876 176063992 /nfs/dbraw/zinc/06/39/92/176063992.db2.gz CKTDQSLUGRCQCZ-SJLPKXTDSA-N 2 0 289.467 2.447 10 0 CEAERP C[NH2+][C@@H](C)c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189400 176064187 /nfs/dbraw/zinc/06/41/87/176064187.db2.gz OIFQXMGZJFLCGW-QWHCGFSZSA-N 2 0 279.403 2.494 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192328 176073020 /nfs/dbraw/zinc/07/30/20/176073020.db2.gz ZRLFHCYMNOENSY-QLFBSQMISA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+][C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197766 176076924 /nfs/dbraw/zinc/07/69/24/176076924.db2.gz BOTIMSXTTKLTMD-OAHLLOKOSA-N 2 0 255.450 2.178 10 0 CEAERP COCCC[N@H+](CCCCCC[NH2+]C1CC1)CCOC ZINC000071289275 176110389 /nfs/dbraw/zinc/11/03/89/176110389.db2.gz HXUKDZWLCSFSFL-UHFFFAOYSA-N 2 0 286.460 2.284 10 0 CEAERP CCOC(=O)CCCCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071297769 176112771 /nfs/dbraw/zinc/11/27/71/176112771.db2.gz NOHLBYBPSQFFEE-AGUYFDCRSA-N 2 0 268.401 2.064 10 0 CEAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246541737 287347712 /nfs/dbraw/zinc/34/77/12/287347712.db2.gz SJWCYIMAOIUFED-PMPSAXMXSA-N 2 0 295.471 2.132 10 0 CEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000398004123 270355659 /nfs/dbraw/zinc/35/56/59/270355659.db2.gz PMLAXQPBBDPLNT-IRXDYDNUSA-N 2 0 275.440 2.095 10 0 CEAERP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261825551 275073808 /nfs/dbraw/zinc/07/38/08/275073808.db2.gz UGJXFFFITSEQBI-HOCLYGCPSA-N 2 0 267.376 2.276 10 0 CEAERP C[C@@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529337 278344369 /nfs/dbraw/zinc/34/43/69/278344369.db2.gz RDIKHXLMCOGRBN-WBVHZDCISA-N 2 0 275.440 2.096 10 0 CEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262281928 289259355 /nfs/dbraw/zinc/25/93/55/289259355.db2.gz LGKIHRQXPNLRIY-QLFBSQMISA-N 2 0 295.471 2.131 10 0 CEAERP C[NH+]1CCC(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000164515714 289876914 /nfs/dbraw/zinc/87/69/14/289876914.db2.gz CJUWUDZLLHDYIS-ZNMIVQPWSA-N 2 0 266.429 2.121 10 0 CEAERP CCC[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)[NH+](C)C ZINC000183102449 321709450 /nfs/dbraw/zinc/70/94/50/321709450.db2.gz UZZHSQKJUHLMTC-GJZGRUSLSA-N 2 0 283.460 2.097 10 0 CEAERP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000384401572 321852630 /nfs/dbraw/zinc/85/26/30/321852630.db2.gz CQQPNEXZCJDUBQ-KBPBESRZSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181486 519909206 /nfs/dbraw/zinc/90/92/06/519909206.db2.gz CBQMUVYIPVBJNQ-CQSZACIVSA-N 2 0 286.485 2.220 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+](CC)CC ZINC000054629265 519911201 /nfs/dbraw/zinc/91/12/01/519911201.db2.gz NHHVIMGTNKEYIH-HNSVSWJLSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[NH2+]C[C@H](C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074707 519932333 /nfs/dbraw/zinc/93/23/33/519932333.db2.gz KYFYZGTWASWYBQ-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508700 519938160 /nfs/dbraw/zinc/93/81/60/519938160.db2.gz PHVNCXZIHNUGCZ-HZPDHXFCSA-N 2 0 286.460 2.138 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](Cc1ccsc1)C1CC1 ZINC000062741039 520306641 /nfs/dbraw/zinc/30/66/41/520306641.db2.gz UKNXWVWMMCLSLT-CQSZACIVSA-N 2 0 268.426 2.466 10 0 CEAERP CC[NH+]1CCC(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000054601229 521550087 /nfs/dbraw/zinc/55/00/87/521550087.db2.gz MYOBDSRVXJLKRX-GASCZTMLSA-N 2 0 264.413 2.304 10 0 CEAERP C[NH2+]Cc1oc(C[N@H+](CCOC)CC(C)C)cc1C ZINC000052508792 522161143 /nfs/dbraw/zinc/16/11/43/522161143.db2.gz AFUZBVAVBIVOAR-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP C[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C(C)(C)C ZINC000054968955 522166811 /nfs/dbraw/zinc/16/68/11/522166811.db2.gz ZALNSOONFQXNNJ-UHFFFAOYSA-N 2 0 296.484 2.302 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543965 522545250 /nfs/dbraw/zinc/54/52/50/522545250.db2.gz XMJVFATWWMBBEA-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C[NH2+]C)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702402 522545533 /nfs/dbraw/zinc/54/55/33/522545533.db2.gz FLTNIKMIJKXCOU-JKSUJKDBSA-N 2 0 262.397 2.276 10 0 CEAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573027 518383058 /nfs/dbraw/zinc/38/30/58/518383058.db2.gz GPKCXGAOXUPHDZ-CABCVRRESA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@@H+]3CCC[C@H]23)=[NH+]1 ZINC000049569650 519276890 /nfs/dbraw/zinc/27/68/90/519276890.db2.gz VNEBCDSTYRMKMR-JHJVBQTASA-N 2 0 267.442 2.330 10 0 CEAERP CC(C)C[C@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950252 519348167 /nfs/dbraw/zinc/34/81/67/519348167.db2.gz FOIWOSHPFHDYNO-HUUCEWRRSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055139094 519612981 /nfs/dbraw/zinc/61/29/81/519612981.db2.gz HXFGHLACOUNRAG-UHFFFAOYSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)CC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000048521522 519662489 /nfs/dbraw/zinc/66/24/89/519662489.db2.gz PBHJIZKYLQHOOZ-UHFFFAOYSA-N 2 0 289.467 2.440 10 0 CEAERP CC(C)CCOCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602816 519665845 /nfs/dbraw/zinc/66/58/45/519665845.db2.gz HVEVIPKEUIMGPK-GOOCMWNKSA-N 2 0 254.418 2.393 10 0 CEAERP CC(C)[NH+]1CCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052480076 519682899 /nfs/dbraw/zinc/68/28/99/519682899.db2.gz WUVHLVXFPVEFDQ-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000069266696 519716619 /nfs/dbraw/zinc/71/66/19/519716619.db2.gz MTOJHJOQEXYBRM-QGZVFWFLSA-N 2 0 275.440 2.351 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181056 519719639 /nfs/dbraw/zinc/71/96/39/519719639.db2.gz MJZIIKVOFVBLTP-MRXNPFEDSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)[NH2+]CCCCCN1CC[NH+](CC2CC2)CC1 ZINC000052372503 519720520 /nfs/dbraw/zinc/72/05/20/519720520.db2.gz APNIJJQNLWBZIM-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479957 519722843 /nfs/dbraw/zinc/72/28/43/519722843.db2.gz LLAGUPBTKWGAEC-HNNXBMFYSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000052424340 519726681 /nfs/dbraw/zinc/72/66/81/519726681.db2.gz PKOHLUXIRDEBED-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCc3ccccc3[C@H]2[NH3+])CC1 ZINC000055078900 519727850 /nfs/dbraw/zinc/72/78/50/519727850.db2.gz AHDIIXOERVOXAN-QZTJIDSGSA-N 2 0 287.451 2.275 10 0 CEAERP CC(C)C[NH+]1CCN(c2ncccc2C[NH2+]C2CC2)CC1 ZINC000055082457 519728862 /nfs/dbraw/zinc/72/88/62/519728862.db2.gz XAYGIXLEQHBDLP-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571608 519744602 /nfs/dbraw/zinc/74/46/02/519744602.db2.gz YMODHTOGFSNRAJ-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC(C)C)O1 ZINC000052452839 519745993 /nfs/dbraw/zinc/74/59/93/519745993.db2.gz OKKAPYQLEPZWPI-CABCVRRESA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N1CCC[C@@H]1C[NH+](C)C ZINC000061654208 519748202 /nfs/dbraw/zinc/74/82/02/519748202.db2.gz YGKODFFCJCNXJO-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH+]1CCC(N2[C@@H]3CCC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054602426 519845020 /nfs/dbraw/zinc/84/50/20/519845020.db2.gz FTYGLHUIYHXHME-ZXFUBFMLSA-N 2 0 279.472 2.466 10 0 CEAERP CCC1CCC(C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000062978493 519850354 /nfs/dbraw/zinc/85/03/54/519850354.db2.gz SIHOMNMYNIRLAS-CGZBRXJRSA-N 2 0 279.472 2.454 10 0 CEAERP CCC[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055015119 519859670 /nfs/dbraw/zinc/85/96/70/519859670.db2.gz QOZXCLRSXLFIIL-MRXNPFEDSA-N 2 0 261.413 2.104 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCC1 ZINC000054628959 519908399 /nfs/dbraw/zinc/90/83/99/519908399.db2.gz YAJBAROSRRJPPY-XYTVBORESA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CCOC)[C@H](C)CC)CCOCC1 ZINC000052183546 519913181 /nfs/dbraw/zinc/91/31/81/519913181.db2.gz LLWJYSFFFUBHKI-OAHLLOKOSA-N 2 0 286.460 2.140 10 0 CEAERP CCC[NH2+]CC[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074849 519919337 /nfs/dbraw/zinc/91/93/37/519919337.db2.gz TZRZAYRFJRNWDQ-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477502 519930337 /nfs/dbraw/zinc/93/03/37/519930337.db2.gz URRDZFYTSPNWSF-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074595 519932122 /nfs/dbraw/zinc/93/21/22/519932122.db2.gz BMVLWHBCWUFUKJ-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503395 519938331 /nfs/dbraw/zinc/93/83/31/519938331.db2.gz XPWMOROSVVDUIK-IAGOWNOFSA-N 2 0 299.503 2.053 10 0 CEAERP CCC[NH2+]C[C@]1(C[NH+]2CCCCCC2)CCOC1 ZINC000051210421 519940336 /nfs/dbraw/zinc/94/03/36/519940336.db2.gz CMLYRCMNOWKZHT-HNNXBMFYSA-N 2 0 254.418 2.269 10 0 CEAERP CCC[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000052422536 519957091 /nfs/dbraw/zinc/95/70/91/519957091.db2.gz VEDDSLQLOCQVET-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CCC[NH2+]Cc1ccccc1OCCOCC[NH+](C)C ZINC000052669654 519957396 /nfs/dbraw/zinc/95/73/96/519957396.db2.gz BAMAUDHLBFBNEY-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541468 519977194 /nfs/dbraw/zinc/97/71/94/519977194.db2.gz BLWPUWHVKPVCEF-CABCVRRESA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC)C2CCCC2)O1 ZINC000052475581 519979617 /nfs/dbraw/zinc/97/96/17/519979617.db2.gz BQUCDHYAEYPMAF-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@](C)(CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763321 519981882 /nfs/dbraw/zinc/98/18/82/519981882.db2.gz ABJHDLYQZQZYGM-CABCVRRESA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH2+]Cc1cc(CN2CCC[C@@H]2C[NH+](C)C)oc1C ZINC000061654477 519987499 /nfs/dbraw/zinc/98/74/99/519987499.db2.gz KYEMPNURJUXIBU-OAHLLOKOSA-N 2 0 279.428 2.224 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643316 519992203 /nfs/dbraw/zinc/99/22/03/519992203.db2.gz UEKREOHVLVVUDE-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](CC)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000062979006 519992400 /nfs/dbraw/zinc/99/24/00/519992400.db2.gz PRRGHXVBNVWEAZ-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](CC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065062 519994054 /nfs/dbraw/zinc/99/40/54/519994054.db2.gz ATKIASZSESJOOI-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CCC([NH+](C)C)CC1 ZINC000052477833 520006388 /nfs/dbraw/zinc/00/63/88/520006388.db2.gz SCVXXJRZOOMHKU-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1coc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000052515371 520017250 /nfs/dbraw/zinc/01/72/50/520017250.db2.gz UDZAJTKEFZGYAH-UHFFFAOYSA-N 3 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1nc(N2CCC[C@H]2C[NH+](C)C)ccc1Cl ZINC000061654359 520020497 /nfs/dbraw/zinc/02/04/97/520020497.db2.gz NZLWIQNTSIRJAO-LBPRGKRZSA-N 2 0 296.846 2.375 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643753 520069080 /nfs/dbraw/zinc/06/90/80/520069080.db2.gz GIMMUVWKKFRQKZ-RRFJBIMHSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H](CCC)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979263 520069102 /nfs/dbraw/zinc/06/91/02/520069102.db2.gz CAKZGPXTLMMVOK-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](CC(C)C)CC1)C1CC1 ZINC000069075046 520082533 /nfs/dbraw/zinc/08/25/33/520082533.db2.gz HMUYKDAMXMXZNQ-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653565 520093189 /nfs/dbraw/zinc/09/31/89/520093189.db2.gz JWRDHVQLORAVBJ-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516480 520131421 /nfs/dbraw/zinc/13/14/21/520131421.db2.gz QBSFDDKUXGAPGP-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CCCO[C@H]1CCC[N@H+](Cc2ccoc2C[NH3+])C1 ZINC000052371578 520285752 /nfs/dbraw/zinc/28/57/52/520285752.db2.gz AQPPEUATHFDVKL-ZDUSSCGKSA-N 2 0 252.358 2.129 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000062741246 520309534 /nfs/dbraw/zinc/30/95/34/520309534.db2.gz DWDZFPPXFCGWQR-JKSUJKDBSA-N 2 0 262.397 2.230 10 0 CEAERP CC[N@H+](CC(C)C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052449905 520413585 /nfs/dbraw/zinc/41/35/85/520413585.db2.gz GJIGZWOOBAVXIE-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c([C@H](C)C[NH2+]C)c(C)n1 ZINC000054854647 520711778 /nfs/dbraw/zinc/71/17/78/520711778.db2.gz NFYWBPVOBOIZKE-GFCCVEGCSA-N 2 0 278.444 2.301 10 0 CEAERP CC[NH+](CC)CCc1noc(CC[C@H]2CCCC[NH2+]2)n1 ZINC000050927951 520714263 /nfs/dbraw/zinc/71/42/63/520714263.db2.gz RWVHWXNJGSXNCC-CYBMUJFWSA-N 2 0 280.416 2.029 10 0 CEAERP CCC[C@@H]([NH3+])[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055078933 520727335 /nfs/dbraw/zinc/72/73/35/520727335.db2.gz OVQQOYJURGUSDO-CABCVRRESA-N 2 0 255.450 2.166 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])C1 ZINC000062978021 520848888 /nfs/dbraw/zinc/84/88/88/520848888.db2.gz RVPHAYCTHZDDCY-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071670 520909183 /nfs/dbraw/zinc/90/91/83/520909183.db2.gz ZOXSYGJNKHPVGL-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CC1CCC([NH2+]CCN2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061655227 520953534 /nfs/dbraw/zinc/95/35/34/520953534.db2.gz IRHCUITUIRETBE-GPANFISMSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@H]([NH3+])[C@@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065335 521120688 /nfs/dbraw/zinc/12/06/88/521120688.db2.gz OSEFYCUHZMBADV-SOUVJXGZSA-N 2 0 255.450 2.309 10 0 CEAERP CCOc1ccc([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643560 521263600 /nfs/dbraw/zinc/26/36/00/521263600.db2.gz AWICBMNVRJXHDD-NVXWUHKLSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@]1(C(=O)Nc2ccccc2C[NH+](C)C)CC[NH2+]C1 ZINC000062891458 521300433 /nfs/dbraw/zinc/30/04/33/521300433.db2.gz SMUGDGKFBAGLMZ-KRWDZBQOSA-N 2 0 289.423 2.467 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000164389979 521617284 /nfs/dbraw/zinc/61/72/84/521617284.db2.gz CLHNRBBBABVWHJ-HOTGVXAUSA-N 2 0 295.471 2.145 10 0 CEAERP CCOC1CC[NH+](Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052483976 521657265 /nfs/dbraw/zinc/65/72/65/521657265.db2.gz MBWPVFBLQJDCCP-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023407 521657771 /nfs/dbraw/zinc/65/77/71/521657771.db2.gz YODAVTDGINLHCZ-HNNXBMFYSA-N 2 0 276.428 2.327 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052422178 521694391 /nfs/dbraw/zinc/69/43/91/521694391.db2.gz QBRVTVKAGGNBEZ-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CCC1(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC000062851039 521702583 /nfs/dbraw/zinc/70/25/83/521702583.db2.gz ZKVDMONORRQVJT-GJZGRUSLSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1c(C[NH3+])cnc2ccccc21 ZINC000061641590 521844113 /nfs/dbraw/zinc/84/41/13/521844113.db2.gz VXNDQAMGJCDIQO-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH2+]C(C)(C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000061300835 521942768 /nfs/dbraw/zinc/94/27/68/521942768.db2.gz JBJBGTSYJANAEK-UHFFFAOYSA-N 2 0 275.396 2.219 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346221 522093592 /nfs/dbraw/zinc/09/35/92/522093592.db2.gz YILZUWGIVYZMAW-CABCVRRESA-N 2 0 266.360 2.025 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065329 522120378 /nfs/dbraw/zinc/12/03/78/522120378.db2.gz FKSPYTBBGXVPAS-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055064210 522120616 /nfs/dbraw/zinc/12/06/16/522120616.db2.gz ZAZYEUXTXAIAIS-NVXWUHKLSA-N 2 0 275.440 2.145 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000055063349 522133984 /nfs/dbraw/zinc/13/39/84/522133984.db2.gz LOIJIVDQKPAZKJ-CQSZACIVSA-N 2 0 261.413 2.374 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[N@H+](C)[C@H]1CCSC1 ZINC000052453326 522139250 /nfs/dbraw/zinc/13/92/50/522139250.db2.gz IQSVBLMHXFWIBC-AWEZNQCLSA-N 2 0 280.437 2.222 10 0 CEAERP C[NH2+]Cc1ccoc1CN(CC[NH+](C)C)CC(C)C ZINC000052503309 522139443 /nfs/dbraw/zinc/13/94/43/522139443.db2.gz NDCZRTZCBIMBBT-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1CCCSCC1 ZINC000052371070 522140055 /nfs/dbraw/zinc/14/00/55/522140055.db2.gz KOYIGMDSYDOTDJ-UHFFFAOYSA-N 2 0 280.437 2.224 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654709 522195007 /nfs/dbraw/zinc/19/50/07/522195007.db2.gz AXQMZYHJXFATJS-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](CN(C)[C@@H]1CCC[N@H+](C)C1)c1ccccc1C ZINC000053245028 522354117 /nfs/dbraw/zinc/35/41/17/522354117.db2.gz JLEYASQPVMCDFV-WBVHZDCISA-N 2 0 275.440 2.282 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964230 522649656 /nfs/dbraw/zinc/64/96/56/522649656.db2.gz OAIZUSKEOHMHMR-GUTXKFCHSA-N 2 0 265.401 2.002 10 0 CEAERP CN(CC[NH+]1CCCC1)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069182712 522832394 /nfs/dbraw/zinc/83/23/94/522832394.db2.gz RKQNZAQXKQATII-UHFFFAOYSA-N 2 0 280.441 2.011 10 0 CEAERP COc1cc2c(cc1OC)C[N@@H+]([C@@H](C)CCC[NH3+])CC2 ZINC000052417242 523032220 /nfs/dbraw/zinc/03/22/20/523032220.db2.gz YVCRRKWNYVJYAA-LBPRGKRZSA-N 2 0 278.396 2.189 10 0 CEAERP CN(c1cc(Cl)ccc1C(N)=[NH2+])[C@H]1CCC[N@H+](C)C1 ZINC000062788994 523631314 /nfs/dbraw/zinc/63/13/14/523631314.db2.gz NVBMNZYMRIDRCI-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP COCC[N@H+](CC(C)C)C[C@@H](C)C[NH2+]CC(C)C ZINC000052508471 523678676 /nfs/dbraw/zinc/67/86/76/523678676.db2.gz YJSGLIVAKOIYOR-HNNXBMFYSA-N 2 0 258.450 2.473 10 0 CEAERP COCC[N@H+](CCC[NH2+]CC(C)C)[C@H](C)C1CC1 ZINC000052545324 523693399 /nfs/dbraw/zinc/69/33/99/523693399.db2.gz ZBJGGDGMOAAGED-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP COCC[NH+](CCOC)[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052571462 523723535 /nfs/dbraw/zinc/72/35/35/523723535.db2.gz GVGQMCPQHVSMTG-CQSZACIVSA-N 2 0 274.449 2.138 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH3+])oc1C)[C@@H](C)C1CC1 ZINC000052545387 523740388 /nfs/dbraw/zinc/74/03/88/523740388.db2.gz SALUEJCDFWYSED-NSHDSACASA-N 2 0 266.385 2.294 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000055065558 523955049 /nfs/dbraw/zinc/95/50/49/523955049.db2.gz QHUHPTNRKAFRKS-HOCLYGCPSA-N 2 0 261.413 2.103 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000055074137 523956494 /nfs/dbraw/zinc/95/64/94/523956494.db2.gz BWLZHRDAUPBJHO-HNNXBMFYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064014 523959192 /nfs/dbraw/zinc/95/91/92/523959192.db2.gz AQFOOQQNLVBSOC-XJKSGUPXSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccnc(C[NH2+]C3CC3)c2)CC1 ZINC000055073325 523960700 /nfs/dbraw/zinc/96/07/00/523960700.db2.gz DZJZLQWFXRITLY-AWEZNQCLSA-N 2 0 288.439 2.254 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000055076258 523962265 /nfs/dbraw/zinc/96/22/65/523962265.db2.gz DMJKGVVQEPUVJV-RYUDHWBXSA-N 2 0 282.457 2.344 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@](C)(CO)c2ccccc2)CC1 ZINC000051294375 524049623 /nfs/dbraw/zinc/04/96/23/524049623.db2.gz VIEGGWBJUXVTSP-GOSISDBHSA-N 2 0 290.451 2.210 10 0 CEAERP C[NH+](C)CCCNCC[NH+]1CCC2(CCCC2)CC1 ZINC000062959020 524057044 /nfs/dbraw/zinc/05/70/44/524057044.db2.gz YUCNQPOTJQNKME-UHFFFAOYSA-N 2 0 267.461 2.184 10 0 CEAERP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000049553775 524168768 /nfs/dbraw/zinc/16/87/68/524168768.db2.gz GDOIKWXPDWJFMG-NVXWUHKLSA-N 2 0 275.440 2.191 10 0 CEAERP Cc1cccc(C[N@@H+](C)Cc2ccnc(C[NH3+])c2)c1 ZINC000068749810 524376927 /nfs/dbraw/zinc/37/69/27/524376927.db2.gz QOUGFVZHSSOZIX-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP C[C@@H]1CCC[C@](CN)([N@H+](C)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000068630052 524428126 /nfs/dbraw/zinc/42/81/26/524428126.db2.gz XTKVHMHPSHCBLD-BFYDXBDKSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@@H]1CC[N@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052484454 524511172 /nfs/dbraw/zinc/51/11/72/524511172.db2.gz GXVDZDCOSICUIZ-LLVKDONJSA-N 2 0 251.374 2.405 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CCC[C@H]2C[NH+](C)C)s1 ZINC000061655256 524575261 /nfs/dbraw/zinc/57/52/61/524575261.db2.gz BBDYHYBQPWCUOA-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP C[C@@H]1C[N@H+](CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954124 524953584 /nfs/dbraw/zinc/95/35/84/524953584.db2.gz WEOWSVAHMZCDOF-KGLIPLIRSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@H]1[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CCC[C@@H]1C ZINC000068615195 525112435 /nfs/dbraw/zinc/11/24/35/525112435.db2.gz QNDHEWGABGLQLW-ARFHVFGLSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(NC(N)=O)cc1 ZINC000049554263 525597199 /nfs/dbraw/zinc/59/71/99/525597199.db2.gz VFKQYQAPVYWADX-NWDGAFQWSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061643478 525764994 /nfs/dbraw/zinc/76/49/94/525764994.db2.gz ORALPECAFPCSHD-SJORKVTESA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061642734 525952514 /nfs/dbraw/zinc/95/25/14/525952514.db2.gz CYFJXDFVKIYNJL-SJORKVTESA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CCCC[C@H]1[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183508 526261211 /nfs/dbraw/zinc/26/12/11/526261211.db2.gz HZMNEFLKSCZROB-UONOGXRCSA-N 2 0 254.418 2.252 10 0 CEAERP c1csc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000050952343 526584833 /nfs/dbraw/zinc/58/48/33/526584833.db2.gz VBFGHCSXCGFFRL-UHFFFAOYSA-N 2 0 294.468 2.045 10 0 CEAERP NC(=[NH2+])c1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052062005 526823911 /nfs/dbraw/zinc/82/39/11/526823911.db2.gz KSLFQZXTDNBVFA-UHFFFAOYSA-N 2 0 286.423 2.031 10 0 CEAERP [NH3+]C[C@@H](c1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973406 527207302 /nfs/dbraw/zinc/20/73/02/527207302.db2.gz RTISSECINCRKTL-IRXDYDNUSA-N 2 0 273.424 2.247 10 0 CEAERP [NH3+][C@@H]1CCc2c1cccc2OCCC[NH+]1CCCC1 ZINC000062798245 527372693 /nfs/dbraw/zinc/37/26/93/527372693.db2.gz IKOCMAIPDUELLG-OAHLLOKOSA-N 2 0 260.381 2.497 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000261561967 628938441 /nfs/dbraw/zinc/93/84/41/628938441.db2.gz VUZOMFUFFWUNAX-KOLCDFICSA-N 2 0 253.777 2.465 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262523236 631087478 /nfs/dbraw/zinc/08/74/78/631087478.db2.gz YUZWRFLPDAEDSD-VBNZEHGJSA-N 2 0 291.439 2.299 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251751165 641570670 /nfs/dbraw/zinc/57/06/70/641570670.db2.gz LIHZYWDKMXKXFL-XWDNEUNKSA-N 2 0 291.483 2.466 10 0 CEAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253290964 282084992 /nfs/dbraw/zinc/08/49/92/282084992.db2.gz QFGHRDQWBRVIGB-OAGGEKHMSA-N 2 0 268.445 2.344 10 0 CEAERP COC[C@H](C)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182487 522591825 /nfs/dbraw/zinc/59/18/25/522591825.db2.gz LVNDVZRBRUXPDM-AWEZNQCLSA-N 2 0 286.460 2.138 10 0 CEAERP CC[NH2+][C@](C)(CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096837000 185116506 /nfs/dbraw/zinc/11/65/06/185116506.db2.gz UOJOCICROYUVCO-HNNXBMFYSA-N 2 0 256.434 2.248 10 0 CEAERP c1ccc2c(c1)N=C(NNC1=Nc3ccccc3OC1)CO2 ZINC000003218422 343352433 /nfs/dbraw/zinc/35/24/33/343352433.db2.gz UYSFGAQAPHSDAW-UHFFFAOYSA-N 2 0 294.314 2.326 10 0 CEAERP [NH3+][C@@H]1CCN(c2cc[nH+]c(NCC3CCCC3)c2)C1 ZINC000116602657 344287355 /nfs/dbraw/zinc/28/73/55/344287355.db2.gz MSCPBDXORVNAPK-CYBMUJFWSA-N 2 0 260.385 2.221 10 0 CEAERP COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH2+]CC2 ZINC000169789906 344482889 /nfs/dbraw/zinc/48/28/89/344482889.db2.gz VMMZJSVPSPMMDM-AWEZNQCLSA-N 2 0 280.437 2.196 10 0 CEAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCO)C2)CC(C)(C)C1 ZINC000384331187 344828549 /nfs/dbraw/zinc/82/85/49/344828549.db2.gz ADKHKFCDPMGWCE-ILXRZTDVSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]([NH2+]C1CCN(CCO)CC1)c1ccccc1Cl ZINC000399030015 344856795 /nfs/dbraw/zinc/85/67/95/344856795.db2.gz IYINWQKWIHEUNP-GFCCVEGCSA-N 2 0 282.815 2.447 10 0 CEAERP [NH3+]C1(CC(=O)NCCC[NH+]2CCCCC2)CCCCC1 ZINC000084163826 178810768 /nfs/dbraw/zinc/81/07/68/178810768.db2.gz ORFSXUWRNKXYHK-UHFFFAOYSA-N 2 0 281.444 2.030 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369462 179039011 /nfs/dbraw/zinc/03/90/11/179039011.db2.gz BQHOLZRFWRSJAW-HZPDHXFCSA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H]1CCC[C@@](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000085370613 179040656 /nfs/dbraw/zinc/04/06/56/179040656.db2.gz BRDWGMQEUYGRSE-QSJFSLAZSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1csc(CC[NH2+]C[C@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376866 179044696 /nfs/dbraw/zinc/04/46/96/179044696.db2.gz CYBLPMBIYUNXIH-NEPJUHHUSA-N 2 0 253.415 2.101 10 0 CEAERP CC(C)c1nc2c(n1[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573519 179099643 /nfs/dbraw/zinc/09/96/43/179099643.db2.gz ONMQWVGRDMPJLJ-CYBMUJFWSA-N 2 0 276.428 2.309 10 0 CEAERP C[C@@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623744 179107426 /nfs/dbraw/zinc/10/74/26/179107426.db2.gz ULGMVSAUZLESPU-VNQPRFMTSA-N 2 0 266.429 2.408 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086146564 179238377 /nfs/dbraw/zinc/23/83/77/179238377.db2.gz YWEIMYMTVOOWJV-AEFFLSMTSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@@H](C)[C@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086153922 179240404 /nfs/dbraw/zinc/24/04/04/179240404.db2.gz UEUNCYALEUPNRU-OAGGEKHMSA-N 2 0 269.477 2.283 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086173276 179244461 /nfs/dbraw/zinc/24/44/61/179244461.db2.gz SVUDMEAVURNDHP-XYJFISCASA-N 2 0 289.467 2.232 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](C(C)C)CN1 ZINC000086174304 179245475 /nfs/dbraw/zinc/24/54/75/179245475.db2.gz DPQPCMXAVPXLMA-JKSUJKDBSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@@H]1CN[C@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174317 179245686 /nfs/dbraw/zinc/24/56/86/179245686.db2.gz DHLDPFQEXONBIR-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@]1(c2ccccc2)CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145963 179238952 /nfs/dbraw/zinc/23/89/52/179238952.db2.gz OPBKHATXFBNDHD-MSOLQXFVSA-N 2 0 285.435 2.044 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145830 179239268 /nfs/dbraw/zinc/23/92/68/179239268.db2.gz LPQWWWAEMUEAFE-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223032 179250347 /nfs/dbraw/zinc/25/03/47/179250347.db2.gz OBNNTZZJWGASKE-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223182 179251859 /nfs/dbraw/zinc/25/18/59/179251859.db2.gz VZGGZBNVCIBAJF-PMPSAXMXSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223938 179253343 /nfs/dbraw/zinc/25/33/43/179253343.db2.gz FIARODJHDJJYLD-KFWWJZLASA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224012 179253533 /nfs/dbraw/zinc/25/35/33/179253533.db2.gz GCKFSOSLVDFSLD-ARFHVFGLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@]1(C)CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086227536 179254151 /nfs/dbraw/zinc/25/41/51/179254151.db2.gz YIFTVOUAXUVPNN-HRCADAONSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227531 179254606 /nfs/dbraw/zinc/25/46/06/179254606.db2.gz FNQOMLCQGUKKOC-BPUTZDHNSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)[C@H](C(C)C)CN1 ZINC000086259172 179257893 /nfs/dbraw/zinc/25/78/93/179257893.db2.gz ARQZWERXQXIYTA-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259262 179257998 /nfs/dbraw/zinc/25/79/98/179257998.db2.gz NMODZGHGFFQCMW-ZNMIVQPWSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259620 179258140 /nfs/dbraw/zinc/25/81/40/179258140.db2.gz SXJTXNUDRFZLEH-QGTPRVQTSA-N 2 0 291.483 2.466 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260729 179260203 /nfs/dbraw/zinc/26/02/03/179260203.db2.gz TXOHEJOTPDKCFQ-NJAFHUGGSA-N 2 0 293.499 2.425 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086293036 179266571 /nfs/dbraw/zinc/26/65/71/179266571.db2.gz HESNLVIXRGHXQR-HOTGVXAUSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@]1(C)CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293016 179266591 /nfs/dbraw/zinc/26/65/91/179266591.db2.gz MDHJMZMKSVDUGJ-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CC[N@@H+]1C ZINC000086444160 179293546 /nfs/dbraw/zinc/29/35/46/179293546.db2.gz QAXWFWOZTWIBBS-NEPJUHHUSA-N 2 0 294.468 2.270 10 0 CEAERP C[C@@H]1CCC[C@@]1(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000086676372 179319381 /nfs/dbraw/zinc/31/93/81/179319381.db2.gz SGWFSDZSNDMJBG-AEFFLSMTSA-N 2 0 287.451 2.322 10 0 CEAERP CC1CCC(N(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819398 179347862 /nfs/dbraw/zinc/34/78/62/179347862.db2.gz LQCCECUAWLADGB-UYSNPLJNSA-N 2 0 267.461 2.310 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086819256 179348351 /nfs/dbraw/zinc/34/83/51/179348351.db2.gz NTUVGWBWQBWXIH-OAHLLOKOSA-N 2 0 253.434 2.066 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086819596 179348810 /nfs/dbraw/zinc/34/88/10/179348810.db2.gz LXDNDIFMZCCIEJ-QGZVFWFLSA-N 2 0 279.472 2.456 10 0 CEAERP CC(C)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817425 179345094 /nfs/dbraw/zinc/34/50/94/179345094.db2.gz ZFFULUFZEJUXAG-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847598 179356382 /nfs/dbraw/zinc/35/63/82/179356382.db2.gz BWZQKYBEZPHIJM-INIZCTEOSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846980 179356953 /nfs/dbraw/zinc/35/69/53/179356953.db2.gz LTBWWFDQXSXAGO-INIZCTEOSA-N 2 0 279.428 2.305 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836404 179351099 /nfs/dbraw/zinc/35/10/99/179351099.db2.gz OKWFNLGEBPRBNC-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843058 179352459 /nfs/dbraw/zinc/35/24/59/179352459.db2.gz QZBHKDYKTZZWOA-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CC[N@@H+]1CCC[C@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842521 179352940 /nfs/dbraw/zinc/35/29/40/179352940.db2.gz QABBOALESSKJIV-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843377 179353225 /nfs/dbraw/zinc/35/32/25/179353225.db2.gz MBLXNIIGMBEILQ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840462 179353968 /nfs/dbraw/zinc/35/39/68/179353968.db2.gz BDZBALNOYKDLJF-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CCN(CC)C(=O)CC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841071 179354001 /nfs/dbraw/zinc/35/40/01/179354001.db2.gz LMSMEVULXINYMT-HNNXBMFYSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851147 179359814 /nfs/dbraw/zinc/35/98/14/179359814.db2.gz XCBQWTMNDQLCRG-CVEARBPZSA-N 2 0 267.461 2.454 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C)C2)CC1 ZINC000087049536 179388756 /nfs/dbraw/zinc/38/87/56/179388756.db2.gz XWCDJLUIYAISSX-DZGCQCFKSA-N 2 0 254.418 2.002 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1F ZINC000400490710 233179374 /nfs/dbraw/zinc/17/93/74/233179374.db2.gz ZCZRBSBTLNGJGW-DMDPSCGWSA-N 2 0 266.360 2.483 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089391092 179778567 /nfs/dbraw/zinc/77/85/67/179778567.db2.gz PLBBAQXVYNRUNY-HOCLYGCPSA-N 2 0 295.471 2.083 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566056 180005651 /nfs/dbraw/zinc/00/56/51/180005651.db2.gz WEQWSSBVHFYNRC-LJISPDSOSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]Cc1ccc(C)s1 ZINC000090566742 180006734 /nfs/dbraw/zinc/00/67/34/180006734.db2.gz PETLMKQMJORPTI-GXTWGEPZSA-N 2 0 268.426 2.161 10 0 CEAERP C[N@H+](Cc1ccc(Cl)cc1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606679 180010991 /nfs/dbraw/zinc/01/09/91/180010991.db2.gz SYWWHXRSOCMWHB-UONOGXRCSA-N 2 0 268.788 2.136 10 0 CEAERP C[C@@H](C[NH2+]C[C@@H]1Cc2ccccc2O1)C[NH+]1CCCC1 ZINC000090874612 180050740 /nfs/dbraw/zinc/05/07/40/180050740.db2.gz NDTXTHLKLFKBRM-HOCLYGCPSA-N 2 0 274.408 2.312 10 0 CEAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878924 180052642 /nfs/dbraw/zinc/05/26/42/180052642.db2.gz WJVZOCSESARQFG-HUBLWGQQSA-N 2 0 278.371 2.188 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1)O2 ZINC000090878911 180052811 /nfs/dbraw/zinc/05/28/11/180052811.db2.gz SYYYYBYQEMVMLQ-DLBZAZTESA-N 2 0 286.419 2.454 10 0 CEAERP CC[C@](C)(C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377211 539759186 /nfs/dbraw/zinc/75/91/86/539759186.db2.gz JKUUEVKERJUDRF-SJORKVTESA-N 2 0 276.424 2.389 10 0 CEAERP [NH3+]CCc1nc(C[NH2+]C2CCCCCC2)cs1 ZINC000090958092 180075038 /nfs/dbraw/zinc/07/50/38/180075038.db2.gz NGOLAAJRELDYPK-UHFFFAOYSA-N 2 0 253.415 2.457 10 0 CEAERP C[NH2+]Cc1cn(CCC[NH+]2CCCC2)c2ncccc12 ZINC000091019689 180087654 /nfs/dbraw/zinc/08/76/54/180087654.db2.gz RWDLOSCRCQEERA-UHFFFAOYSA-N 2 0 272.396 2.242 10 0 CEAERP CCC1(CC)CC[NH+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314206 180133483 /nfs/dbraw/zinc/13/34/83/180133483.db2.gz VEVNCLQTDRPQFS-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CN(C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)C1CC[NH+](C)CC1 ZINC000091362076 180141669 /nfs/dbraw/zinc/14/16/69/180141669.db2.gz DTQSVPVJYIDAMV-ZOBUZTSGSA-N 2 0 279.472 2.323 10 0 CEAERP CC[N@H+](Cc1cncn1C(C)C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091273114 180118093 /nfs/dbraw/zinc/11/80/93/180118093.db2.gz CCVKKNDTXGIJLU-UKRRQHHQSA-N 2 0 264.417 2.413 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CCC[NH2+]C2CCCCC2)C1 ZINC000091431451 180153911 /nfs/dbraw/zinc/15/39/11/180153911.db2.gz FIQDPTZKHGOVRL-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091391782 180144750 /nfs/dbraw/zinc/14/47/50/180144750.db2.gz BPPOMRWVMVSMHK-CQSZACIVSA-N 2 0 283.460 2.084 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](CC[NH3+])c2ccccc2)C1 ZINC000091392509 180145054 /nfs/dbraw/zinc/14/50/54/180145054.db2.gz DCOJPCRXYMJJMT-HOTGVXAUSA-N 2 0 261.413 2.103 10 0 CEAERP COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393571 180145548 /nfs/dbraw/zinc/14/55/48/180145548.db2.gz PWBYVGCZEHKIER-KEYYUXOJSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393580 180145634 /nfs/dbraw/zinc/14/56/34/180145634.db2.gz SCLRECAHPAZHHT-RCBQFDQVSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)o1 ZINC000091394673 180146587 /nfs/dbraw/zinc/14/65/87/180146587.db2.gz GBKQOJIRLXOVDI-CBBWQLFWSA-N 2 0 291.439 2.429 10 0 CEAERP CCCC1(C[N@@H+]2CCC[C@@H](N(C)C)C2)CC[NH2+]CC1 ZINC000091395115 180146631 /nfs/dbraw/zinc/14/66/31/180146631.db2.gz AXZBCQBGTQYCRT-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000091548011 180187436 /nfs/dbraw/zinc/18/74/36/180187436.db2.gz VHIRHOIOLYSXDK-GJZGRUSLSA-N 2 0 287.407 2.348 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1cnccc1N ZINC000091716779 180231915 /nfs/dbraw/zinc/23/19/15/180231915.db2.gz LICFNPFLXHVVFS-OAHLLOKOSA-N 2 0 278.444 2.306 10 0 CEAERP CCn1nc(C)c(Cl)c1C[C@@H]([NH3+])CC[NH+](CC)CC ZINC000091715849 180232126 /nfs/dbraw/zinc/23/21/26/180232126.db2.gz AHHQTEDUEQSHII-LBPRGKRZSA-N 2 0 286.851 2.467 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852379 180272651 /nfs/dbraw/zinc/27/26/51/180272651.db2.gz LCIKAQOERLHGJK-HSBZDZAISA-N 2 0 283.460 2.272 10 0 CEAERP CCC[N@H+](Cc1cccc(C(N)=O)c1)C1CCC([NH3+])CC1 ZINC000091852401 180272827 /nfs/dbraw/zinc/27/28/27/180272827.db2.gz ZQUIZURYANVURX-UHFFFAOYSA-N 2 0 289.423 2.267 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@H]2CCCO2)CC1 ZINC000091870029 180276912 /nfs/dbraw/zinc/27/69/12/180276912.db2.gz IOKYXXHRQIWJPW-YMAMQOFZSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)C1CCC(C[NH3+])([C@@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907251 180284037 /nfs/dbraw/zinc/28/40/37/180284037.db2.gz DKIOMUBNCBAOQD-BDVYOWHSSA-N 2 0 280.456 2.377 10 0 CEAERP CCC[NH+]1CCC(O)([C@]2(C[NH3+])CCc3ccccc32)CC1 ZINC000091906333 180284229 /nfs/dbraw/zinc/28/42/29/180284229.db2.gz BHVFFJWXXJEOPH-KRWDZBQOSA-N 2 0 288.435 2.066 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003058 180304748 /nfs/dbraw/zinc/30/47/48/180304748.db2.gz ZIFZGQIYZVPYDM-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC1CCC([NH2+]CCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000092004330 180304975 /nfs/dbraw/zinc/30/49/75/180304975.db2.gz YICAKMICIGNCTJ-BACDZXNISA-N 2 0 279.472 2.323 10 0 CEAERP C[NH2+]Cc1cccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092089123 180321560 /nfs/dbraw/zinc/32/15/60/180321560.db2.gz OVNXDRGZDLRKSN-OKILXGFUSA-N 2 0 262.397 2.373 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3ccccc3S2)C1 ZINC000092242700 180351528 /nfs/dbraw/zinc/35/15/28/180351528.db2.gz UILYTKXQPMISLR-OCCSQVGLSA-N 2 0 262.422 2.245 10 0 CEAERP c1ccc2c(c1)SC[C@H]2C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000092290784 180357664 /nfs/dbraw/zinc/35/76/64/180357664.db2.gz RWKXIQKRUMBGBC-FRRDWIJNSA-N 2 0 260.406 2.027 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298050 180358881 /nfs/dbraw/zinc/35/88/81/180358881.db2.gz IRDCQBUUZHVHLU-HIFRSBDPSA-N 2 0 274.408 2.483 10 0 CEAERP Cc1cc(NS(=O)(=O)c2cccc([C@H](C)[NH3+])c2)cc[nH+]1 ZINC000092364752 180368354 /nfs/dbraw/zinc/36/83/54/180368354.db2.gz XTLTVQHJJHXBGV-NSHDSACASA-N 2 0 291.376 2.211 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000092418477 180381114 /nfs/dbraw/zinc/38/11/14/180381114.db2.gz ZKKIEOIXYVTHAL-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000092419026 180382048 /nfs/dbraw/zinc/38/20/48/180382048.db2.gz HYUYQOSSUNXGBD-INIZCTEOSA-N 2 0 276.428 2.430 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH3+])c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000107908228 186197224 /nfs/dbraw/zinc/19/72/24/186197224.db2.gz URQKFQYWOIDMII-MFKMUULPSA-N 2 0 285.794 2.115 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092624473 180418199 /nfs/dbraw/zinc/41/81/99/180418199.db2.gz OAESBRIITGBOGJ-HYVNUMGLSA-N 2 0 275.440 2.143 10 0 CEAERP CC[C@H](c1nc(CC[NH+](CC)CC)no1)[C@H](C)[NH2+]C ZINC000109496128 186256337 /nfs/dbraw/zinc/25/63/37/186256337.db2.gz GGOKOQGZIDBTEP-RYUDHWBXSA-N 2 0 268.405 2.055 10 0 CEAERP CCC[NH2+][C@H](C)[C@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496306 186256831 /nfs/dbraw/zinc/25/68/31/186256831.db2.gz POJCYJWCCLPNCI-QWHCGFSZSA-N 2 0 282.432 2.446 10 0 CEAERP C[NH2+]Cc1cc(OC2CC[NH+](C)CC2)c2ccccc2n1 ZINC000109589930 186264524 /nfs/dbraw/zinc/26/45/24/186264524.db2.gz QGRIIRGEZAEVMJ-UHFFFAOYSA-N 2 0 285.391 2.427 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000109604101 186267781 /nfs/dbraw/zinc/26/77/81/186267781.db2.gz JWYOHMLIAVYHMZ-HNNXBMFYSA-N 2 0 276.380 2.063 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC2CCC(C[NH3+])CC2)C1 ZINC000110618368 186305601 /nfs/dbraw/zinc/30/56/01/186305601.db2.gz OZWYHYPCQKNBPM-UYSNPLJNSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC2CCCC2)O1 ZINC000110844724 186329117 /nfs/dbraw/zinc/32/91/17/186329117.db2.gz MJCWIHCQFDKCKT-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)cc1F ZINC000110977530 186338484 /nfs/dbraw/zinc/33/84/84/186338484.db2.gz IIELIEQHGBVIDK-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)cc1F ZINC000110977533 186339538 /nfs/dbraw/zinc/33/95/38/186339538.db2.gz IIELIEQHGBVIDK-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705203 186314258 /nfs/dbraw/zinc/31/42/58/186314258.db2.gz YQDXANILDQAXLV-SWLSCSKDSA-N 2 0 279.403 2.240 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704824 186314415 /nfs/dbraw/zinc/31/44/15/186314415.db2.gz FSUOXBWSMGEOLH-OCCSQVGLSA-N 2 0 281.469 2.471 10 0 CEAERP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110711882 186315560 /nfs/dbraw/zinc/31/55/60/186315560.db2.gz VEFYOWMIGCXNSZ-BFHYXJOUSA-N 2 0 291.439 2.429 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110716302 186315764 /nfs/dbraw/zinc/31/57/64/186315764.db2.gz KPPMPLTZOGSVQU-JKSUJKDBSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CC[NH+](C)C ZINC000111129633 186356179 /nfs/dbraw/zinc/35/61/79/186356179.db2.gz CVAQNIWYKYUNPK-JKSUJKDBSA-N 2 0 263.429 2.267 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000111135124 186357105 /nfs/dbraw/zinc/35/71/05/186357105.db2.gz SBMKJUFEHBNVIA-LESVLKBLSA-N 2 0 293.499 2.284 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N(C)CCC[NH+](C)C ZINC000111136089 186357482 /nfs/dbraw/zinc/35/74/82/186357482.db2.gz BXEQNXKERCSSSV-JKSUJKDBSA-N 2 0 263.429 2.349 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CCC[NH+](C)C)c1 ZINC000111136047 186357904 /nfs/dbraw/zinc/35/79/04/186357904.db2.gz MFRCOSDHOQJQGH-AWEZNQCLSA-N 2 0 293.455 2.359 10 0 CEAERP CCC[NH2+][C@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000111164248 186363459 /nfs/dbraw/zinc/36/34/59/186363459.db2.gz LBDWIHRLCRCGKY-ZFWWWQNUSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]C[C@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146637 186358268 /nfs/dbraw/zinc/35/82/68/186358268.db2.gz FQNVGXLEGBGMAU-GOSISDBHSA-N 2 0 291.483 2.436 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)CN(C)CC[NH+](C)C ZINC000111147464 186358802 /nfs/dbraw/zinc/35/88/02/186358802.db2.gz UZJQCVSFOGKJAE-DOTOQJQBSA-N 2 0 277.456 2.467 10 0 CEAERP C[N@H+](CC[C@@H]([NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000111172177 186365067 /nfs/dbraw/zinc/36/50/67/186365067.db2.gz VPEYLLDJACROOV-GOEBONIOSA-N 2 0 262.397 2.435 10 0 CEAERP CC(C)(C)[NH2+]C[C@]1(C[NH+]2CCCC2)CCCOC1 ZINC000111323652 186396644 /nfs/dbraw/zinc/39/66/44/186396644.db2.gz HKEKLWFUEWXPLW-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)[C@@H](C)COC)CCCOC1 ZINC000111326372 186398976 /nfs/dbraw/zinc/39/89/76/186398976.db2.gz DUHIWNLJJYJAFX-HOTGVXAUSA-N 2 0 286.460 2.140 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1Cl ZINC000630540159 351777984 /nfs/dbraw/zinc/77/79/84/351777984.db2.gz UTTGWXXCTYMWMI-OKILXGFUSA-N 2 0 265.788 2.479 10 0 CEAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250807834 539968636 /nfs/dbraw/zinc/96/86/36/539968636.db2.gz CWOZNEXTFRSPGE-UYJHQMFVSA-N 2 0 266.429 2.190 10 0 CEAERP COc1cccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133526062 366232826 /nfs/dbraw/zinc/23/28/26/366232826.db2.gz KIJGKXHYORIQLE-RDJZCZTQSA-N 2 0 291.439 2.030 10 0 CEAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])COc1ccccc1 ZINC000011848800 361366388 /nfs/dbraw/zinc/36/63/88/361366388.db2.gz IQDCQHRRJTVJFH-OAHLLOKOSA-N 2 0 273.380 2.129 10 0 CEAERP CCC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[NH+](C)C ZINC000162135197 367140132 /nfs/dbraw/zinc/14/01/32/367140132.db2.gz UJRKSRLAVWTOGK-GJZGRUSLSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000161738564 367109339 /nfs/dbraw/zinc/10/93/39/367109339.db2.gz RZZXATWOLXFRFF-LSDHHAIUSA-N 2 0 297.487 2.343 10 0 CEAERP C[C@H]1C[N@H+](Cc2cccc3cccnc32)C[C@@H]1C[NH3+] ZINC000631841226 367582629 /nfs/dbraw/zinc/58/26/29/367582629.db2.gz ZVQNJLZWQDDZII-WFASDCNBSA-N 2 0 255.365 2.261 10 0 CEAERP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187820886 369229285 /nfs/dbraw/zinc/22/92/85/369229285.db2.gz JPEKDKKKDQWSSY-ZBFHGGJFSA-N 2 0 294.414 2.193 10 0 CEAERP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000231455750 370479744 /nfs/dbraw/zinc/47/97/44/370479744.db2.gz FPBGSPNQMDLFDB-CQSZACIVSA-N 2 0 278.396 2.278 10 0 CEAERP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231455314 370479835 /nfs/dbraw/zinc/47/98/35/370479835.db2.gz MBADGDLLCNOYGU-OAHLLOKOSA-N 2 0 276.380 2.047 10 0 CEAERP C[N@H+](CCN1CC[NH+]2CCC[C@H]2C1)Cc1ccc(F)cc1 ZINC000248577930 371215925 /nfs/dbraw/zinc/21/59/25/371215925.db2.gz URLQPFWEXIUIKQ-KRWDZBQOSA-N 2 0 291.414 2.038 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 ZINC000261601786 371673232 /nfs/dbraw/zinc/67/32/32/371673232.db2.gz BTJFFPKXIZKUDZ-USXIJHARSA-N 3 0 282.391 2.041 10 0 CEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261579382 371659422 /nfs/dbraw/zinc/65/94/22/371659422.db2.gz DTURRIKELYQHGP-MZGVZZPPSA-N 2 0 260.381 2.425 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]C2)C1 ZINC000261947696 371781396 /nfs/dbraw/zinc/78/13/96/371781396.db2.gz NMNJBSYIEAIIOX-HMDCTGQHSA-N 2 0 280.456 2.248 10 0 CEAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003787 371796353 /nfs/dbraw/zinc/79/63/53/371796353.db2.gz UKEYCQTYCHSDNV-SOUVJXGZSA-N 2 0 260.381 2.173 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CC[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009338 371796820 /nfs/dbraw/zinc/79/68/20/371796820.db2.gz UXWYUTGGWBBJCW-UAGQMJEPSA-N 2 0 274.408 2.087 10 0 CEAERP C[C@H]1CN(CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048323 371811490 /nfs/dbraw/zinc/81/14/90/371811490.db2.gz PYIHBLSMVZNJDS-JSGCOSHPSA-N 2 0 250.411 2.199 10 0 CEAERP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000262083957 371821363 /nfs/dbraw/zinc/82/13/63/371821363.db2.gz FRWBSQMJWAAHFE-JYJNAYRXSA-N 2 0 274.408 2.351 10 0 CEAERP [NH3+]C1CCC([NH2+][C@H]2CCC(=O)Nc3ccccc32)CC1 ZINC000333320264 205214160 /nfs/dbraw/zinc/21/41/60/205214160.db2.gz UJNPBWYPCRHSLC-QOZQQMKHSA-N 2 0 273.380 2.320 10 0 CEAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000382827944 321844064 /nfs/dbraw/zinc/84/40/64/321844064.db2.gz WZIJBHVPBGPNKB-CVEARBPZSA-N 2 0 268.445 2.392 10 0 CEAERP CC[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280640143 375270157 /nfs/dbraw/zinc/27/01/57/375270157.db2.gz ZKRQDYUVAICEAQ-KSZLIROESA-N 2 0 288.435 2.211 10 0 CEAERP COC[C@H]([NH2+]C[C@H]1CCCN1CC(C)C)C1CCOCC1 ZINC000188266955 249338211 /nfs/dbraw/zinc/33/82/11/249338211.db2.gz LVTMXVYUGQXLPY-SJORKVTESA-N 2 0 298.471 2.138 10 0 CEAERP C[C@@H]1CCC[C@](CNc2cc[nH+]cc2C(N)=O)([NH+](C)C)C1 ZINC000302210794 379331106 /nfs/dbraw/zinc/33/11/06/379331106.db2.gz GNKLSWXMQQHLCZ-WBMJQRKESA-N 2 0 290.411 2.103 10 0 CEAERP C[NH+](C)CCCC[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093208124 184655886 /nfs/dbraw/zinc/65/58/86/184655886.db2.gz ZHNFMCGECRQXKW-KBPBESRZSA-N 2 0 299.459 2.364 10 0 CEAERP CC(C)CN(CC[NH+](C)C)c1cccc(F)c1C[NH3+] ZINC000093395384 184670914 /nfs/dbraw/zinc/67/09/14/184670914.db2.gz FWTASSANBPQLEJ-UHFFFAOYSA-N 2 0 267.392 2.308 10 0 CEAERP C[NH+](C)C1CCN([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640887 177835027 /nfs/dbraw/zinc/83/50/27/177835027.db2.gz ZWGVZDVXINLTDK-NVXWUHKLSA-N 2 0 279.472 2.310 10 0 CEAERP COC1CC[NH+](CC[C@H]2CCC[C@]2(CO)[NH2+]C(C)C)CC1 ZINC000093616833 184696393 /nfs/dbraw/zinc/69/63/93/184696393.db2.gz LSUAQDIHBAFLBO-NVXWUHKLSA-N 2 0 298.471 2.017 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094458673 184804776 /nfs/dbraw/zinc/80/47/76/184804776.db2.gz QXJYGWHKPTVKRK-IAGOWNOFSA-N 2 0 273.424 2.083 10 0 CEAERP CC1(C)CC[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)[C@H]1[NH3+] ZINC000094305988 184778647 /nfs/dbraw/zinc/77/86/47/184778647.db2.gz UJOOJAKXGYNEJO-SOUVJXGZSA-N 2 0 265.445 2.063 10 0 CEAERP CC(C)(C)[NH+]1CCN(C[C@H]2CCC(C)(C)[C@H]2[NH3+])CC1 ZINC000094317813 184780008 /nfs/dbraw/zinc/78/00/08/184780008.db2.gz NPUCYPKHGURNID-KGLIPLIRSA-N 2 0 267.461 2.166 10 0 CEAERP CC(C)(C)c1nc(N2CC[N@@H+]3CCC[C@@H]3C2)sc1C[NH3+] ZINC000094467958 184807740 /nfs/dbraw/zinc/80/77/40/184807740.db2.gz HSHVEJRQRCNUOF-LLVKDONJSA-N 2 0 294.468 2.184 10 0 CEAERP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261889570 289006363 /nfs/dbraw/zinc/00/63/63/289006363.db2.gz XIBDECDQWRTPGX-GMTAPVOTSA-N 2 0 250.308 2.259 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000089482653 135059410 /nfs/dbraw/zinc/05/94/10/135059410.db2.gz ZCDLUZOGHSZJSB-HUUCEWRRSA-N 2 0 291.414 2.323 10 0 CEAERP CC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000120484731 394779736 /nfs/dbraw/zinc/77/97/36/394779736.db2.gz LBBPPFBSUQMDCR-UONOGXRCSA-N 2 0 256.434 2.057 10 0 CEAERP Cc1cc(NC(=O)N2CCC[C@@H]2Cn2ccnc2)ccn1 ZINC000180609458 395205105 /nfs/dbraw/zinc/20/51/05/395205105.db2.gz JQFZTKTWFCQYLZ-CQSZACIVSA-N 2 0 285.351 2.283 10 0 CEAERP [NH3+]CCCN(CCC[NH3+])c1ccnc2cc(Cl)ccc21 ZINC000584614811 395665504 /nfs/dbraw/zinc/66/55/04/395665504.db2.gz FGCZHCZXJJUMDA-UHFFFAOYSA-N 2 0 292.814 2.392 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061642081 522650493 /nfs/dbraw/zinc/65/04/93/522650493.db2.gz KELVUULDMLVHRU-MCIONIFRSA-N 2 0 255.450 2.164 10 0 CEAERP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365655 171164366 /nfs/dbraw/zinc/16/43/66/171164366.db2.gz AVKRHSPYDFJDIZ-QLFBSQMISA-N 2 0 285.476 2.390 10 0 CEAERP Cc1cc(C)c(OC[C@@H](CC[NH3+])[NH+](C)C)c(C)c1 ZINC000020401599 171181542 /nfs/dbraw/zinc/18/15/42/171181542.db2.gz FKZJRIKLSXVJJX-CQSZACIVSA-N 2 0 250.386 2.270 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2cccc3ccccc32)CC1 ZINC000022211931 171373973 /nfs/dbraw/zinc/37/39/73/171373973.db2.gz HGWIGLDSULHJGE-SFHVURJKSA-N 2 0 283.419 2.477 10 0 CEAERP CC[NH+]1CCN([C@@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])CC1 ZINC000022566646 171392303 /nfs/dbraw/zinc/39/23/03/171392303.db2.gz NSVWSRXNIWBFJN-FGTMMUONSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH+](C)Cc1ccccc1N[C@H]1C[NH+]2CCC1CC2 ZINC000037159839 172995227 /nfs/dbraw/zinc/99/52/27/172995227.db2.gz HJXCFOZHHQCRJG-INIZCTEOSA-N 2 0 259.397 2.254 10 0 CEAERP CC[NH+](CC)CCCN[C@@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037209992 173031572 /nfs/dbraw/zinc/03/15/72/173031572.db2.gz QZVWEXSRUGVTOC-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCC(=O)OC ZINC000037286531 173092552 /nfs/dbraw/zinc/09/25/52/173092552.db2.gz CVTHXZPROSLVMX-CYBMUJFWSA-N 2 0 258.406 2.040 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038087986 174100884 /nfs/dbraw/zinc/10/08/84/174100884.db2.gz YIQPIAQCEDFNES-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]([NH3+])[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693935 174377830 /nfs/dbraw/zinc/37/78/30/174377830.db2.gz IQZSZAJPGLVGBO-ZFWWWQNUSA-N 2 0 253.434 2.063 10 0 CEAERP CC[NH+](CC)CCNC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000041709411 174611801 /nfs/dbraw/zinc/61/18/01/174611801.db2.gz AUMWUSQFBFZGLI-CYBMUJFWSA-N 2 0 292.427 2.430 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCCCC2=O)CC1 ZINC000042391556 174706848 /nfs/dbraw/zinc/70/68/48/174706848.db2.gz BIDITBDNBDMWIW-AWEZNQCLSA-N 2 0 252.402 2.162 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000042815010 174885616 /nfs/dbraw/zinc/88/56/16/174885616.db2.gz DGYUFFCZMBXUKQ-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)[C@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323924 175006255 /nfs/dbraw/zinc/00/62/55/175006255.db2.gz DRKVWFFCMZRCCB-IAGOWNOFSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](CC)CC1 ZINC000043336252 175011745 /nfs/dbraw/zinc/01/17/45/175011745.db2.gz PUEIOCFDGPDKAU-GDBMZVCRSA-N 2 0 279.428 2.474 10 0 CEAERP CC[NH+]1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000043805691 175107448 /nfs/dbraw/zinc/10/74/48/175107448.db2.gz UTLOPFXGLXTIKE-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815321 175112121 /nfs/dbraw/zinc/11/21/21/175112121.db2.gz RSVGLVYQCDZKDY-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CCc1ccc([C@H](CN2CC[NH+](C3CC3)CC2)[NH2+]C)cc1 ZINC000043967602 175128805 /nfs/dbraw/zinc/12/88/05/175128805.db2.gz KMCSREHNGXLIIW-SFHVURJKSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043968017 175129358 /nfs/dbraw/zinc/12/93/58/175129358.db2.gz XSOFNQGZLBOTCR-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CC[N@H+](CCOC)Cc1cc([C@@H](C)[NH2+]C)ccc1OC ZINC000043968585 175129746 /nfs/dbraw/zinc/12/97/46/175129746.db2.gz KCPDRMDUEDGXCG-CYBMUJFWSA-N 2 0 280.412 2.444 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970733 175131753 /nfs/dbraw/zinc/13/17/53/175131753.db2.gz UEWOEOYVUKZEAR-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970737 175132133 /nfs/dbraw/zinc/13/21/33/175132133.db2.gz UEWOEOYVUKZEAR-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH+]1CCN([C@H](c2ccco2)[C@H]([NH3+])CC)CC1 ZINC000044419017 175173205 /nfs/dbraw/zinc/17/32/05/175173205.db2.gz RUNSXCCPAQNDIM-HIFRSBDPSA-N 2 0 265.401 2.086 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000044805812 175256716 /nfs/dbraw/zinc/25/67/16/175256716.db2.gz KHTHZCDTHPUUSW-CQSZACIVSA-N 2 0 283.460 2.132 10 0 CEAERP C[NH2+][C@@H]1CCOC[C@@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073293 175302776 /nfs/dbraw/zinc/30/27/76/175302776.db2.gz MBYNEDQKLHTXTI-KFWWJZLASA-N 2 0 252.402 2.018 10 0 CEAERP C[C@](CCCC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045371476 175364338 /nfs/dbraw/zinc/36/43/38/175364338.db2.gz JKTKKNDILZWUOX-QGZVFWFLSA-N 2 0 295.471 2.419 10 0 CEAERP CC[NH2+][C@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371454 175364341 /nfs/dbraw/zinc/36/43/41/175364341.db2.gz XVQAJPYGJVBCHU-MRXNPFEDSA-N 2 0 283.460 2.276 10 0 CEAERP CCC[N@H+](CCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045386069 175372359 /nfs/dbraw/zinc/37/23/59/175372359.db2.gz XVHSZXXDALHBTO-HNNXBMFYSA-N 2 0 271.449 2.129 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C(CC)CC ZINC000045391562 175374751 /nfs/dbraw/zinc/37/47/51/175374751.db2.gz WJDPTXGBMDAXIN-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)C2CC[NH+](C)CC2)C1 ZINC000071122760 176035034 /nfs/dbraw/zinc/03/50/34/176035034.db2.gz MVOIRKVSRRQUSV-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000071124830 176035424 /nfs/dbraw/zinc/03/54/24/176035424.db2.gz NNTOKWSDWXDTNB-ULQDDVLXSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000071124616 176035467 /nfs/dbraw/zinc/03/54/67/176035467.db2.gz AQRSEHPGXXGZDG-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H](C)C[C@@H](CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148930 176044362 /nfs/dbraw/zinc/04/43/62/176044362.db2.gz YCRUNDUMMIARFS-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000071161674 176046162 /nfs/dbraw/zinc/04/61/62/176046162.db2.gz VVDXPDZVMUIMFV-JKSUJKDBSA-N 2 0 267.461 2.310 10 0 CEAERP C[N@@H+](Cc1ccc(N)c2cccnc12)C[C@@H]1CC[NH+](C)C1 ZINC000071187807 176061478 /nfs/dbraw/zinc/06/14/78/176061478.db2.gz AXVPOPZFUSXDGQ-CYBMUJFWSA-N 2 0 284.407 2.201 10 0 CEAERP CC[C@@H](C)C[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188596 176063354 /nfs/dbraw/zinc/06/33/54/176063354.db2.gz MGXOSEADHSRVPY-BZUAXINKSA-N 2 0 269.477 2.414 10 0 CEAERP COc1ccc([C@H](C)[NH3+])cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188924 176063415 /nfs/dbraw/zinc/06/34/15/176063415.db2.gz JOERYUMXHIUQAP-UONOGXRCSA-N 2 0 291.439 2.098 10 0 CEAERP Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191948 176071444 /nfs/dbraw/zinc/07/14/44/176071444.db2.gz JYJZPPRNPHOENE-OAHLLOKOSA-N 2 0 293.455 2.470 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192097 176073394 /nfs/dbraw/zinc/07/33/94/176073394.db2.gz GIPKEJGBDNNJDM-NVXWUHKLSA-N 2 0 275.440 2.221 10 0 CEAERP CCC[NH2+][C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197774 176076485 /nfs/dbraw/zinc/07/64/85/176076485.db2.gz MKBGHHYSZZIVMC-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198161 176077076 /nfs/dbraw/zinc/07/70/76/176077076.db2.gz FIJNFAPVUKNDQC-KRWDZBQOSA-N 2 0 275.440 2.192 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@@H+]1CC[C@H](N(C)C)C1 ZINC000071289972 176110304 /nfs/dbraw/zinc/11/03/04/176110304.db2.gz HTULHSPQMVXUJD-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000071288933 176110503 /nfs/dbraw/zinc/11/05/03/176110503.db2.gz UFHHSPZFZUISTM-UHFFFAOYSA-N 3 0 269.477 2.430 10 0 CEAERP C[NH+](C)CCCOc1nc2ccccc2cc1C[NH3+] ZINC000071385923 176147485 /nfs/dbraw/zinc/14/74/85/176147485.db2.gz XRPJYCLXIYJEQF-UHFFFAOYSA-N 2 0 259.353 2.024 10 0 CEAERP CN1CCC([N@H+](C)CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401618 176154102 /nfs/dbraw/zinc/15/41/02/176154102.db2.gz DVQTUAMZLLJQNS-KRWDZBQOSA-N 2 0 275.440 2.493 10 0 CEAERP CN(C[C@H](CC[NH3+])[NH+]1CCCCC1)c1ccccc1 ZINC000076673561 177055114 /nfs/dbraw/zinc/05/51/14/177055114.db2.gz VYUPXUSUQLVBKM-INIZCTEOSA-N 2 0 261.413 2.326 10 0 CEAERP Cc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000398390806 270357973 /nfs/dbraw/zinc/35/79/73/270357973.db2.gz ZJANNDAXYAIOKC-LBPRGKRZSA-N 2 0 283.213 2.457 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576764 279092064 /nfs/dbraw/zinc/09/20/64/279092064.db2.gz GMKTWLYYMUSOCC-HOTGVXAUSA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCCO2 ZINC000400529854 279497917 /nfs/dbraw/zinc/49/79/17/279497917.db2.gz RHUVTOCESSPPDG-OBJOEFQTSA-N 2 0 276.380 2.106 10 0 CEAERP C[C@]1(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CCC[NH2+]C1 ZINC000333296845 280157872 /nfs/dbraw/zinc/15/78/72/280157872.db2.gz PLBKORRCFHFEJT-PBHICJAKSA-N 2 0 287.407 2.439 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](C)C[NH2+]C(C)(C)C ZINC000052503270 519716828 /nfs/dbraw/zinc/71/68/28/519716828.db2.gz MCWHUMGGUMEKAU-CQSZACIVSA-N 2 0 257.466 2.283 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083736 519726089 /nfs/dbraw/zinc/72/60/89/519726089.db2.gz OWGMMFXXHYNNGQ-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[C@H](C)[NH2+]CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062974782 519813064 /nfs/dbraw/zinc/81/30/64/519813064.db2.gz GLYANLQNXDODSI-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C ZINC000054628966 519911095 /nfs/dbraw/zinc/91/10/95/519911095.db2.gz LTZCIUZRFYRFSF-UYTSQGDYSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]CCCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540312 519911953 /nfs/dbraw/zinc/91/19/53/519911953.db2.gz TUIXLPCCYUJSEA-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484153 519919294 /nfs/dbraw/zinc/91/92/94/519919294.db2.gz MWRRRXUJTXHWLF-UHFFFAOYSA-N 3 0 267.461 2.326 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504446 519961478 /nfs/dbraw/zinc/96/14/78/519961478.db2.gz MZVAYSZDRYTUNR-CYBMUJFWSA-N 2 0 281.448 2.144 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccc(C)cc1 ZINC000062740787 520307194 /nfs/dbraw/zinc/30/71/94/520307194.db2.gz MEYUAZRFSALBAA-OAHLLOKOSA-N 2 0 250.386 2.181 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1ccoc1C[NH3+] ZINC000052573344 521562144 /nfs/dbraw/zinc/56/21/44/521562144.db2.gz FDTPPZVDLYGGLY-UHFFFAOYSA-N 2 0 254.374 2.375 10 0 CEAERP CCC(CC)[N@H+](CCOC)CC1(C[NH2+]C)CCOCC1 ZINC000052197810 521559655 /nfs/dbraw/zinc/55/96/55/521559655.db2.gz DURUZGLDLWJAHB-UHFFFAOYSA-N 2 0 286.460 2.140 10 0 CEAERP CCC(CC)[C@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950270 521617181 /nfs/dbraw/zinc/61/71/81/521617181.db2.gz MZFKJQZXBKLKIK-CVEARBPZSA-N 2 0 297.487 2.391 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(C)(C)C[NH2+]C2CC2)CC1 ZINC000055072149 522117725 /nfs/dbraw/zinc/11/77/25/522117725.db2.gz OXYOJSQBRIMVRY-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]([NH2+]CCCN1CCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400464959 533852821 /nfs/dbraw/zinc/85/28/21/533852821.db2.gz VTTNQHBUBYBLRX-GOEBONIOSA-N 2 0 273.424 2.027 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089389337 517907399 /nfs/dbraw/zinc/90/73/99/517907399.db2.gz HLEDKWHMYDQWGA-GOEBONIOSA-N 2 0 289.423 2.452 10 0 CEAERP C(C[C@H]1CCCC[NH2+]1)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000050953911 518396124 /nfs/dbraw/zinc/39/61/24/518396124.db2.gz IMVDWPOGXDALAP-ILXRZTDVSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)[NH2+]CCCC[NH+]1CCN(c2nccs2)CC1 ZINC000052417606 518755795 /nfs/dbraw/zinc/75/57/95/518755795.db2.gz WABAUCNZTWQWBO-UHFFFAOYSA-N 2 0 296.484 2.433 10 0 CEAERP CC(C)[NH2+]CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702272 519721718 /nfs/dbraw/zinc/72/17/18/519721718.db2.gz KJJZXQXUSJSVGC-MRXNPFEDSA-N 2 0 262.397 2.276 10 0 CEAERP CC(C)[NH2+]CC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515494 519721993 /nfs/dbraw/zinc/72/19/93/519721993.db2.gz QJYYIKUUPKCCQC-CQSZACIVSA-N 3 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654669 519724472 /nfs/dbraw/zinc/72/44/72/519724472.db2.gz PPQLXGFXVOMYKJ-HUUCEWRRSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055076094 519726140 /nfs/dbraw/zinc/72/61/40/519726140.db2.gz KWFWQEPMKPJMGV-UHFFFAOYSA-N 2 0 281.469 2.111 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@H+](C)C1CCN(C)CC1 ZINC000052419898 519743130 /nfs/dbraw/zinc/74/31/30/519743130.db2.gz UMZTYOUJQVCMLH-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000052379292 519747394 /nfs/dbraw/zinc/74/73/94/519747394.db2.gz YTZRQCYYXVSJBO-UHFFFAOYSA-N 2 0 275.440 2.180 10 0 CEAERP CC(C)C[NH2+]Cc1ccccc1OCCOCC[NH+](C)C ZINC000052669663 519747691 /nfs/dbraw/zinc/74/76/91/519747691.db2.gz OHEGAYLQOQFEPO-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP CCC1CCC([N@H+](C)CC2(O)CC[NH2+]CC2)CC1 ZINC000051016094 519853366 /nfs/dbraw/zinc/85/33/66/519853366.db2.gz IJOVPTKRXCITGT-UHFFFAOYSA-N 2 0 254.418 2.002 10 0 CEAERP CCCC1CC[NH+](CCC[C@](C)([NH2+]C2CC2)C(N)=O)CC1 ZINC000050905796 519900752 /nfs/dbraw/zinc/90/07/52/519900752.db2.gz BRFOHWBRNACVQO-KRWDZBQOSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)[NH+](C)C ZINC000054602622 519907222 /nfs/dbraw/zinc/90/72/22/519907222.db2.gz VPPDDLSZJFOBDF-WZYMTQMTSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1nccn1C ZINC000054602461 519907872 /nfs/dbraw/zinc/90/78/72/519907872.db2.gz NEJLHDIYKZIZOO-MQVJKMGUSA-N 2 0 290.455 2.348 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)C[C@@H]2CCCO2)CCOCC1 ZINC000052182538 519909913 /nfs/dbraw/zinc/90/99/13/519909913.db2.gz WTMWGLWVPNTMEK-INIZCTEOSA-N 2 0 298.471 2.284 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCO1 ZINC000054601328 519910062 /nfs/dbraw/zinc/91/00/62/519910062.db2.gz MJGSKQGPGYFIAS-DKUMPPAJSA-N 2 0 252.402 2.160 10 0 CEAERP CCC[NH2+]CC1(C[NH+]2CCC(OCC)CC2)CCOCC1 ZINC000052182170 519910202 /nfs/dbraw/zinc/91/02/02/519910202.db2.gz FDYAJDGYYQTPPF-UHFFFAOYSA-N 2 0 298.471 2.284 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](CC)CC1 ZINC000054629498 519910604 /nfs/dbraw/zinc/91/06/04/519910604.db2.gz UTUUUMMZPJXELW-ALOPSCKCSA-N 3 0 279.472 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCCO1 ZINC000054629394 519910717 /nfs/dbraw/zinc/91/07/17/519910717.db2.gz JDLLLYYJFUKTRY-DKUMPPAJSA-N 2 0 252.402 2.160 10 0 CEAERP CC[NH2+]CCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000052416921 519919173 /nfs/dbraw/zinc/91/91/73/519919173.db2.gz IOQJTVPWHLMLBK-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH2+]CC[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573557 519919604 /nfs/dbraw/zinc/91/96/04/519919604.db2.gz LTAWMXSFTSBGFF-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]C[C@@H](C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484188 519942936 /nfs/dbraw/zinc/94/29/36/519942936.db2.gz ILUUODMWCORQJQ-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]Cc1cc(COCC[NH+](C)C)oc1C ZINC000052669549 519944372 /nfs/dbraw/zinc/94/43/72/519944372.db2.gz IEXHTBBGJBEKLG-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346222 519953143 /nfs/dbraw/zinc/95/31/43/519953143.db2.gz QKCBNIMMOBVLSW-JKSUJKDBSA-N 2 0 280.387 2.415 10 0 CEAERP CCC[NH2+]Cc1ccccc1CN1CC[NH+](C2CC2)CC1 ZINC000052371419 519955766 /nfs/dbraw/zinc/95/57/66/519955766.db2.gz RBVHQMABMYNCLM-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417074 519957278 /nfs/dbraw/zinc/95/72/78/519957278.db2.gz DBBKLZIJADQTHR-GOSISDBHSA-N 2 0 289.467 2.438 10 0 CEAERP CCC[NH2+]Cc1coc(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654622 519964721 /nfs/dbraw/zinc/96/47/21/519964721.db2.gz VONISMPCUYZBEL-HNNXBMFYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346225 519977407 /nfs/dbraw/zinc/97/74/07/519977407.db2.gz QKCBNIMMOBVLSW-CVEARBPZSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071839 519981857 /nfs/dbraw/zinc/98/18/57/519981857.db2.gz UDIMTZGCNNTCLY-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CC)CCOC)oc1C ZINC000052542669 519988194 /nfs/dbraw/zinc/98/81/94/519988194.db2.gz QRRDWMLEHLJPQE-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)c(C)o1 ZINC000055082840 519990875 /nfs/dbraw/zinc/99/08/75/519990875.db2.gz SRZHXSQPJHVGTA-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000052380764 519994961 /nfs/dbraw/zinc/99/49/61/519994961.db2.gz ZQLLTDNCZOHSMY-OKILXGFUSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CCCOC)CCOC)cc1 ZINC000052543296 519996163 /nfs/dbraw/zinc/99/61/63/519996163.db2.gz MFMFXMJSQLJTBP-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H]2CN(C)C)c1 ZINC000061654446 520004077 /nfs/dbraw/zinc/00/40/77/520004077.db2.gz GJUSASRDXZQDQM-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H]([NH+](CC)CC)C1 ZINC000062979064 520022292 /nfs/dbraw/zinc/02/22/92/520022292.db2.gz RITWFGFDWFPDTG-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000069052132 520059820 /nfs/dbraw/zinc/05/98/20/520059820.db2.gz UXQCAGAJDVWILC-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H](C)CCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045602624 520062201 /nfs/dbraw/zinc/06/22/01/520062201.db2.gz APKURZIUULBVPI-OAHLLOKOSA-N 3 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](CC)CCO ZINC000054560039 520122901 /nfs/dbraw/zinc/12/29/01/520122901.db2.gz FRKYYOAGLCQNMX-ARFHVFGLSA-N 2 0 270.461 2.351 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053731 520213342 /nfs/dbraw/zinc/21/33/42/520213342.db2.gz IRGCYPMAPIQLIH-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1CN1CC[NH+](C)CC1 ZINC000054559532 520218320 /nfs/dbraw/zinc/21/83/20/520218320.db2.gz FBIGLOXXRWCIEX-ZACQAIPSSA-N 2 0 281.488 2.284 10 0 CEAERP CCCOc1cccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)c1 ZINC000052920921 520464172 /nfs/dbraw/zinc/46/41/72/520464172.db2.gz IOIMEZSYPANFFO-QGZVFWFLSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH+](CC)C[C@H](O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000050878099 520737791 /nfs/dbraw/zinc/73/77/91/520737791.db2.gz UBQXMKJZDJREGP-CYBMUJFWSA-N 2 0 258.450 2.494 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCC[C@@H]1C[NH+](C)C ZINC000061643651 520769712 /nfs/dbraw/zinc/76/97/12/520769712.db2.gz DCUIFQVOCFOCJH-RBSFLKMASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000069267434 520873972 /nfs/dbraw/zinc/87/39/72/520873972.db2.gz PSNNLYUUFZLCAY-DOTOQJQBSA-N 2 0 273.424 2.247 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969883 520910388 /nfs/dbraw/zinc/91/03/88/520910388.db2.gz IVXZHUZBGFADCG-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000069237275 520964450 /nfs/dbraw/zinc/96/44/50/520964450.db2.gz JHMGIJFVGAGHJG-LBPRGKRZSA-N 2 0 275.396 2.204 10 0 CEAERP CC[N@H+](CCCOc1ccccc1)C[C@H](C)C[NH3+] ZINC000061815652 521040437 /nfs/dbraw/zinc/04/04/37/521040437.db2.gz LUNFIOKIFKSZAB-CQSZACIVSA-N 2 0 250.386 2.372 10 0 CEAERP CCC[C@H](C)[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064427 521064637 /nfs/dbraw/zinc/06/46/37/521064637.db2.gz RADMAKODUYFGFX-SOUVJXGZSA-N 2 0 255.450 2.166 10 0 CEAERP CCC[C@]1(C(=O)NCCC[NH+](CC)CC)CCC[NH2+]C1 ZINC000062852500 521298587 /nfs/dbraw/zinc/29/85/87/521298587.db2.gz PAEHJLUEIZQGLI-INIZCTEOSA-N 2 0 283.460 2.004 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[NH+]1Cc2ccccc2C1 ZINC000050912259 521327904 /nfs/dbraw/zinc/32/79/04/521327904.db2.gz VUYMIEXBNWFPOX-MRXNPFEDSA-N 2 0 276.380 2.063 10 0 CEAERP CCn1cc(C[N@H+](CC)Cc2ccccc2C[NH3+])cn1 ZINC000050539220 521442531 /nfs/dbraw/zinc/44/25/31/521442531.db2.gz MUVLUVRATQZMHI-UHFFFAOYSA-N 2 0 272.396 2.384 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000054897675 521566386 /nfs/dbraw/zinc/56/63/86/521566386.db2.gz ZXCOCIJOWNQTMW-SNVBAGLBSA-N 2 0 282.457 2.392 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)[NH+]1CCCC1 ZINC000164393672 521617585 /nfs/dbraw/zinc/61/75/85/521617585.db2.gz CBYSMGVQBQVWTC-BPUTZDHNSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[N@H+](CCCCC[NH2+]C(C)C)CCN(C)C ZINC000052544246 521651905 /nfs/dbraw/zinc/65/19/05/521651905.db2.gz LYJHLSWUTGDNTJ-UHFFFAOYSA-N 2 0 257.466 2.428 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484087 521655881 /nfs/dbraw/zinc/65/58/81/521655881.db2.gz LANLARQSKYOCCU-CVEARBPZSA-N 2 0 284.444 2.033 10 0 CEAERP CCC1(C)CC[NH+](CCCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000062956342 521677310 /nfs/dbraw/zinc/67/73/10/521677310.db2.gz WAHWJTVXRPLTMP-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH+]1CCN(Cc2c3ccccc3oc2C[NH2+]C)CC1 ZINC000052422338 521688154 /nfs/dbraw/zinc/68/81/54/521688154.db2.gz FXMPWHMKKTWKIT-UHFFFAOYSA-N 2 0 287.407 2.290 10 0 CEAERP CC[NH+]1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554513 521694180 /nfs/dbraw/zinc/69/41/80/521694180.db2.gz VEAOCZBQPMALKF-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP C[NH2+]C[C@@H](C(C)C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484144 522025219 /nfs/dbraw/zinc/02/52/19/522025219.db2.gz VYEZNWIEZNPPBK-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCC(C)C)CC1 ZINC000055075357 522120639 /nfs/dbraw/zinc/12/06/39/522120639.db2.gz MNLXEXRDVSDMIU-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+]Cc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000052371019 522128195 /nfs/dbraw/zinc/12/81/95/522128195.db2.gz ARBVDENVBITIGK-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075297 522129952 /nfs/dbraw/zinc/12/99/52/522129952.db2.gz WPSJMOMMQRZBHS-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064718 522132334 /nfs/dbraw/zinc/13/23/34/522132334.db2.gz ICIDFFMUSHGZDW-ARFHVFGLSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062972362 522192698 /nfs/dbraw/zinc/19/26/98/522192698.db2.gz AWEOMQSTJKOCJQ-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083020 522195068 /nfs/dbraw/zinc/19/50/68/522195068.db2.gz CJEFJRWEFKEZTC-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP C[NH2+][C@H](C)c1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000048994225 522450692 /nfs/dbraw/zinc/45/06/92/522450692.db2.gz VIGMUXHPWWITKB-CQSZACIVSA-N 2 0 273.424 2.499 10 0 CEAERP CCc1[nH+]c2cc(N)ccc2n1[C@H]1C[NH+]2CCC1CC2 ZINC000052842686 522488925 /nfs/dbraw/zinc/48/89/25/522488925.db2.gz IZFJXBUYNZPIAO-HNNXBMFYSA-N 2 0 270.380 2.448 10 0 CEAERP C[N@H+](CC1CC[NH+](C)CC1)C[C@@](C)(CO)c1ccccc1 ZINC000063122136 522659359 /nfs/dbraw/zinc/65/93/59/522659359.db2.gz PNCJYSCZTYVALB-SFHVURJKSA-N 2 0 290.451 2.210 10 0 CEAERP COCCC[N@H+](CCOC)Cc1occc1C[NH2+]C(C)C ZINC000052543232 523258851 /nfs/dbraw/zinc/25/88/51/523258851.db2.gz IJLVASRVPXJSAP-UHFFFAOYSA-N 2 0 298.427 2.263 10 0 CEAERP CC[C@@H]1CSC(N[C@@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502342 523519358 /nfs/dbraw/zinc/51/93/58/523519358.db2.gz XFEKWZVCGAIXDA-NWDGAFQWSA-N 2 0 255.431 2.332 10 0 CEAERP COCC[N@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052572803 523623203 /nfs/dbraw/zinc/62/32/03/523623203.db2.gz BJDBFOHGTIXOGO-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP C[NH+]1CCC(NC2=[NH+][C@H](Cc3ccccc3)CS2)CC1 ZINC000063220358 523776092 /nfs/dbraw/zinc/77/60/92/523776092.db2.gz YIEAQOWKTCNORT-OAHLLOKOSA-N 2 0 289.448 2.384 10 0 CEAERP C[NH+]1CCC(Oc2ccc(Cl)cc2C[NH3+])CC1 ZINC000052858548 523783561 /nfs/dbraw/zinc/78/35/61/523783561.db2.gz JVNIRXFMANYXAB-UHFFFAOYSA-N 2 0 254.761 2.272 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H]1CCCO ZINC000052762564 523799103 /nfs/dbraw/zinc/79/91/03/523799103.db2.gz URXZNAIVJMWESN-LSDHHAIUSA-N 2 0 254.418 2.098 10 0 CEAERP C[NH+]1CCN(Cc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000052379290 523911249 /nfs/dbraw/zinc/91/12/49/523911249.db2.gz ZTDLMOBBWVKVHH-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000055065581 523955587 /nfs/dbraw/zinc/95/55/87/523955587.db2.gz FFVUTUUWVDULAZ-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401564 523957311 /nfs/dbraw/zinc/95/73/11/523957311.db2.gz OKUGHVMIPGNSQQ-ZDUSSCGKSA-N 2 0 279.403 2.201 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064242 523957709 /nfs/dbraw/zinc/95/77/09/523957709.db2.gz SINFHTCOKHQQDG-RDJZCZTQSA-N 2 0 275.440 2.493 10 0 CEAERP C[NH+](C)C1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054895682 524040809 /nfs/dbraw/zinc/04/08/09/524040809.db2.gz ZZEJSSPRPXNQDD-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643093 524047928 /nfs/dbraw/zinc/04/79/28/524047928.db2.gz BMKVRTVGYBQLBU-SJORKVTESA-N 2 0 275.440 2.275 10 0 CEAERP C[NH+](C)CC1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069180471 524050546 /nfs/dbraw/zinc/05/05/46/524050546.db2.gz FBNUNOGPBBJZON-UHFFFAOYSA-N 2 0 294.468 2.257 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000049557278 524166184 /nfs/dbraw/zinc/16/61/84/524166184.db2.gz CLYICSXQXYCSBM-RISCZKNCSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602913 524328827 /nfs/dbraw/zinc/32/88/27/524328827.db2.gz WDQZHQQKSAZKOL-WZYMTQMTSA-N 2 0 265.445 2.205 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372545 524498366 /nfs/dbraw/zinc/49/83/66/524498366.db2.gz QVRSCVICWXWGSA-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](Cn1c(N)[nH+]c2ccccc21)C[NH+]1CCCC1 ZINC000062079824 524587866 /nfs/dbraw/zinc/58/78/66/524587866.db2.gz IVGXTLCXTPTOJP-LBPRGKRZSA-N 2 0 258.369 2.350 10 0 CEAERP C[C@@H]1CC[C@H](C)[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000068628138 524658521 /nfs/dbraw/zinc/65/85/21/524658521.db2.gz MCUMMFPHRBZJQP-HLLBOEOZSA-N 2 0 279.472 2.168 10 0 CEAERP C[C@@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125542 524684281 /nfs/dbraw/zinc/68/42/81/524684281.db2.gz IYYGACLSQZHPJF-UGUYLWEFSA-N 2 0 295.471 2.131 10 0 CEAERP COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642143 524800241 /nfs/dbraw/zinc/80/02/41/524800241.db2.gz JSRRIMQRBUZUFZ-CPUCHLNUSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H](C[C@H](C[NH3+])N1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062964593 524852995 /nfs/dbraw/zinc/85/29/95/524852995.db2.gz LIJVZYJZQNDAGT-BHYGNILZSA-N 2 0 275.440 2.143 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642148 524853851 /nfs/dbraw/zinc/85/38/51/524853851.db2.gz PRMOUYBHCYUCSW-OUCADQQQSA-N 2 0 267.442 2.162 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061655770 524866102 /nfs/dbraw/zinc/86/61/02/524866102.db2.gz QJTXTPWZDBNESK-WFASDCNBSA-N 2 0 290.411 2.264 10 0 CEAERP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642048 525378457 /nfs/dbraw/zinc/37/84/57/525378457.db2.gz IYGAXUXKUSPRHZ-ZMSDIMECSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157433474 525498616 /nfs/dbraw/zinc/49/86/16/525498616.db2.gz XGSRJXVTLJCPBE-HZPDHXFCSA-N 2 0 270.380 2.385 10 0 CEAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052684816 526019596 /nfs/dbraw/zinc/01/95/96/526019596.db2.gz RHVNETGXFISIEE-XJKSGUPXSA-N 2 0 261.413 2.101 10 0 CEAERP c1cc(C[N@@H+]2CCCSCC2)c(C[NH2+]C2CC2)o1 ZINC000052371060 526423244 /nfs/dbraw/zinc/42/32/44/526423244.db2.gz XGSJHMWGAKDCJI-UHFFFAOYSA-N 2 0 266.410 2.471 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392121 536469124 /nfs/dbraw/zinc/46/91/24/536469124.db2.gz PVHYUEZHEZNCDN-AWEZNQCLSA-N 2 0 265.376 2.076 10 0 CEAERP NC(=[NH2+])c1ccc(OCC[NH+]2CCCCC2)c(Cl)c1 ZINC000062794756 526823347 /nfs/dbraw/zinc/82/33/47/526823347.db2.gz FDTCSNXEWQOBDR-UHFFFAOYSA-N 2 0 281.787 2.489 10 0 CEAERP [NH3+]CC[C@@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055016676 527190557 /nfs/dbraw/zinc/19/05/57/527190557.db2.gz SUCSQSPQHURIKL-KRWDZBQOSA-N 2 0 273.424 2.104 10 0 CEAERP [NH3+]CC[C@@H]1CN(CC[NH+]2CCCC2)c2ccccc21 ZINC000063128870 527193595 /nfs/dbraw/zinc/19/35/95/527193595.db2.gz DHIWOMSWHBLIAP-CQSZACIVSA-N 2 0 259.397 2.035 10 0 CEAERP Cn1cc(C[N@H+](CCC[NH3+])C2CCCCCC2)cn1 ZINC000050539176 527196096 /nfs/dbraw/zinc/19/60/96/527196096.db2.gz NSTLADOSMIKIQU-UHFFFAOYSA-N 2 0 264.417 2.294 10 0 CEAERP [NH3+]C[C@@]1(N2CCC([NH+]3CCCCC3)CC2)CCCSC1 ZINC000061590105 527222791 /nfs/dbraw/zinc/22/27/91/527222791.db2.gz UXPCJGPKLVEHRJ-INIZCTEOSA-N 2 0 297.512 2.161 10 0 CEAERP [NH3+]Cc1ccc(Cl)cc1OCC[NH+]1CCCC1 ZINC000062787197 527253565 /nfs/dbraw/zinc/25/35/65/527253565.db2.gz HAGVZQVDJXQBDE-UHFFFAOYSA-N 2 0 254.761 2.273 10 0 CEAERP [NH3+]Cc1coc(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000052484223 527264479 /nfs/dbraw/zinc/26/44/79/527264479.db2.gz RSYWINFNFWMVJN-UHFFFAOYSA-N 2 0 277.412 2.189 10 0 CEAERP [NH3+]Cc1ncccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000061656607 527265012 /nfs/dbraw/zinc/26/50/12/527265012.db2.gz VEYUGZIEDRHDLU-MRXNPFEDSA-N 2 0 268.364 2.272 10 0 CEAERP [NH3+][C@H](CCN1CC[C@H]([NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000062970499 527385812 /nfs/dbraw/zinc/38/58/12/527385812.db2.gz OKXMFYZCGXVCOW-DLBZAZTESA-N 2 0 291.414 2.386 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757145737 574510370 /nfs/dbraw/zinc/51/03/70/574510370.db2.gz QKLTUBVXQXIAFP-KBPBESRZSA-N 2 0 252.402 2.223 10 0 CEAERP [NH3+]C1CCN(CCNc2cc[nH+]c3ccccc23)CC1 ZINC000321636166 643344928 /nfs/dbraw/zinc/34/49/28/643344928.db2.gz YUOPWUGIDNMTAE-UHFFFAOYSA-N 2 0 270.380 2.070 10 0 CEAERP O=C1CCCN1c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000133575483 652666996 /nfs/dbraw/zinc/66/69/96/652666996.db2.gz HGOOOICYFRKZNV-HNNXBMFYSA-N 2 0 287.407 2.045 10 0 CEAERP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000036961241 361874863 /nfs/dbraw/zinc/87/48/63/361874863.db2.gz XJXYXKVMIPWOFT-CZUORRHYSA-N 2 0 275.396 2.208 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc2c1CC[NH2+]C2 ZINC000123998441 539179629 /nfs/dbraw/zinc/17/96/29/539179629.db2.gz ZSBQVLORFPSJNK-QGZVFWFLSA-N 2 0 287.451 2.248 10 0 CEAERP [NH3+][C@H]1CCN(c2cc[nH+]c(NCc3ccc(F)cc3)c2)C1 ZINC000114698950 344280993 /nfs/dbraw/zinc/28/09/93/344280993.db2.gz BPQABQDDJIOQOT-AWEZNQCLSA-N 2 0 286.354 2.370 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000142159681 344402541 /nfs/dbraw/zinc/40/25/41/344402541.db2.gz NBXILBVLWXYZML-ZDUSSCGKSA-N 2 0 261.413 2.232 10 0 CEAERP [NH3+]CC1(c2ccc(OC(F)(F)F)cc2)CC[NH2+]CC1 ZINC000167825980 344479121 /nfs/dbraw/zinc/47/91/21/344479121.db2.gz QJVJFQSPKQSCRG-UHFFFAOYSA-N 2 0 274.286 2.165 10 0 CEAERP C[C@H]1[C@@H](N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000306886815 344718334 /nfs/dbraw/zinc/71/83/34/344718334.db2.gz SYRMWXVCJJWKNF-RDJZCZTQSA-N 2 0 287.451 2.333 10 0 CEAERP C[C@](CO)(CCC[N@@H+]1CCCC(C)(C)C1)[NH2+]C1CC1 ZINC000085212035 178975251 /nfs/dbraw/zinc/97/52/51/178975251.db2.gz XCSRIXRLNRBZTR-MRXNPFEDSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085359253 179032102 /nfs/dbraw/zinc/03/21/02/179032102.db2.gz MIMJQFAKQUKJFW-UONOGXRCSA-N 2 0 275.396 2.204 10 0 CEAERP Cc1nc2c(n1CCC[N@H+]1CCCC[C@@H]1C)CC[NH2+]C2 ZINC000085568460 179095584 /nfs/dbraw/zinc/09/55/84/179095584.db2.gz LUZDVMAZFLUMSK-ZDUSSCGKSA-N 2 0 276.428 2.102 10 0 CEAERP CC[N@@H+]1CCC[C@@H](n2c(CC(C)C)nc3c2CC[NH2+]C3)C1 ZINC000085572787 179098031 /nfs/dbraw/zinc/09/80/31/179098031.db2.gz OKVRWMHMJPLBMZ-CQSZACIVSA-N 2 0 290.455 2.384 10 0 CEAERP CC(C)(C)c1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573014 179098263 /nfs/dbraw/zinc/09/82/63/179098263.db2.gz HMGOEFMEGLYBMH-ZDUSSCGKSA-N 2 0 288.439 2.236 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609445 179101117 /nfs/dbraw/zinc/10/11/17/179101117.db2.gz ULLRVVFDJUXDNO-SOUVJXGZSA-N 2 0 254.418 2.266 10 0 CEAERP COCC[N@@H+]1C[C@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625620 179107433 /nfs/dbraw/zinc/10/74/33/179107433.db2.gz NJXDNSILZXAQOE-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000336816298 365859942 /nfs/dbraw/zinc/85/99/42/365859942.db2.gz LKVBDYCLLBOQPL-ZBFHGGJFSA-N 2 0 263.429 2.396 10 0 CEAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182488 179247467 /nfs/dbraw/zinc/24/74/67/179247467.db2.gz VSARDBRBUXOYIJ-BMGDILEWSA-N 2 0 285.435 2.116 10 0 CEAERP C[C@]1(c2ccccc2)CN([C@@H]2CC[N@@H+](C3CC3)C2)CC[NH2+]1 ZINC000086145960 179238825 /nfs/dbraw/zinc/23/88/25/179238825.db2.gz OPBKHATXFBNDHD-QZTJIDSGSA-N 2 0 285.435 2.044 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086145845 179239120 /nfs/dbraw/zinc/23/91/20/179239120.db2.gz ASCQKZYBJUHQSK-IRXDYDNUSA-N 2 0 273.424 2.117 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182596 179247915 /nfs/dbraw/zinc/24/79/15/179247915.db2.gz ODYSDKZAQFTGOT-BMGDILEWSA-N 2 0 291.483 2.323 10 0 CEAERP CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182518 179248067 /nfs/dbraw/zinc/24/80/67/179248067.db2.gz BHPNCCUMZRGGKG-HZPDHXFCSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217852 179249679 /nfs/dbraw/zinc/24/96/79/179249679.db2.gz CMLMYBHRMWXKOI-YJBOKZPZSA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223003 179250869 /nfs/dbraw/zinc/25/08/69/179250869.db2.gz MFKFJXXQPKMTJK-PVAVHDDUSA-N 2 0 279.472 2.181 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086223051 179250902 /nfs/dbraw/zinc/25/09/02/179250902.db2.gz ZGZJMZZFXPGLFE-RRFJBIMHSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223100 179251269 /nfs/dbraw/zinc/25/12/69/179251269.db2.gz OKKXXQPCBDAVJH-KFWWJZLASA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@]1(C)CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223930 179253404 /nfs/dbraw/zinc/25/34/04/179253404.db2.gz PDLDUTANPPSWFT-OWCLPIDISA-N 2 0 267.461 2.179 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225399 179253665 /nfs/dbraw/zinc/25/36/65/179253665.db2.gz MRSMMEGWSYUMEU-JKSUJKDBSA-N 2 0 279.472 2.467 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225378 179253811 /nfs/dbraw/zinc/25/38/11/179253811.db2.gz RAQJKXGKLWTJRC-BRWVUGGUSA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227533 179254337 /nfs/dbraw/zinc/25/43/37/179254337.db2.gz GXHDLPUHTOOTLL-USXIJHARSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259280 179258356 /nfs/dbraw/zinc/25/83/56/179258356.db2.gz GPWJOCOWKYWPGZ-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259591 179258429 /nfs/dbraw/zinc/25/84/29/179258429.db2.gz RPFHVPVYSOYITE-FGTMMUONSA-N 2 0 291.483 2.322 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259594 179258577 /nfs/dbraw/zinc/25/85/77/179258577.db2.gz RPFHVPVYSOYITE-KURKYZTESA-N 2 0 291.483 2.322 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1CCCC[NH+](C)C ZINC000086261082 179260640 /nfs/dbraw/zinc/26/06/40/179260640.db2.gz XVEIEQMMYQTHJD-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291376 179265185 /nfs/dbraw/zinc/26/51/85/179265185.db2.gz GPZOAFLJEJZJTM-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CCC1(CC)C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288197 179264781 /nfs/dbraw/zinc/26/47/81/179264781.db2.gz JRNUWVOTTVLXTA-UHFFFAOYSA-N 2 0 261.413 2.478 10 0 CEAERP CC(C)[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259023 179256399 /nfs/dbraw/zinc/25/63/99/179256399.db2.gz IYEQVBQQYLOIAR-IAGOWNOFSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H](C)[C@@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290456 179265766 /nfs/dbraw/zinc/26/57/66/179265766.db2.gz NCMGODXOFYGGGZ-ILXRZTDVSA-N 2 0 255.450 2.037 10 0 CEAERP C([C@H]1CCCOC1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086292473 179266005 /nfs/dbraw/zinc/26/60/05/179266005.db2.gz GXCAKXKXPSSHOM-CQSZACIVSA-N 2 0 252.402 2.021 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086291630 179266841 /nfs/dbraw/zinc/26/68/41/179266841.db2.gz DRHJMQWTVMUGDV-AEFFLSMTSA-N 2 0 287.451 2.365 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268266 /nfs/dbraw/zinc/26/82/66/179268266.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 3 0 269.477 2.427 10 0 CEAERP [NH3+][C@H]1CCCc2sc(N3CC[C@H]([NH+]4CCCC4)C3)nc21 ZINC000086444087 179293489 /nfs/dbraw/zinc/29/34/89/179293489.db2.gz BTJYXHLYARJBDO-RYUDHWBXSA-N 2 0 292.452 2.154 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086819257 179348327 /nfs/dbraw/zinc/34/83/27/179348327.db2.gz NTUVGWBWQBWXIH-HNNXBMFYSA-N 2 0 253.434 2.066 10 0 CEAERP CCCC1CCN([C@@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819543 179348825 /nfs/dbraw/zinc/34/88/25/179348825.db2.gz QLLBTBXCGPOZEI-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[N@@H+]1CCC[C@@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086834334 179349344 /nfs/dbraw/zinc/34/93/44/179349344.db2.gz NYQVDBSNBDVXTA-OAHLLOKOSA-N 2 0 254.418 2.146 10 0 CEAERP C[NH+](C)C1(CN[C@@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC000086817204 179344378 /nfs/dbraw/zinc/34/43/78/179344378.db2.gz QKXMHQGMQZYDCW-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCN(CC(C)C)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846854 179356488 /nfs/dbraw/zinc/35/64/88/179356488.db2.gz BAPOBILWFLGWLG-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837162 179350853 /nfs/dbraw/zinc/35/08/53/179350853.db2.gz FLPYXEYNSUUKGW-HNNXBMFYSA-N 2 0 264.417 2.127 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC2CC[NH+](C(C)C)CC2)CC1 ZINC000086836804 179351580 /nfs/dbraw/zinc/35/15/80/179351580.db2.gz ZMTFEOQTFABIKN-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NC)CC1 ZINC000086840574 179353092 /nfs/dbraw/zinc/35/30/92/179353092.db2.gz VUHLKFBPRXTZMO-GJZGRUSLSA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843395 179353346 /nfs/dbraw/zinc/35/33/46/179353346.db2.gz POJTVUJHWOAPGE-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000086842132 179353776 /nfs/dbraw/zinc/35/37/76/179353776.db2.gz QWLVRVITSXBJJS-GJZGRUSLSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000086891409 179365979 /nfs/dbraw/zinc/36/59/79/179365979.db2.gz MTIRHAJOBWMQOS-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947875 179369109 /nfs/dbraw/zinc/36/91/09/179369109.db2.gz LDZMOIROVXVTEA-JKSUJKDBSA-N 2 0 267.461 2.168 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC2(O)CCCCC2)CC1 ZINC000087017641 179380830 /nfs/dbraw/zinc/38/08/30/179380830.db2.gz ZAIKREFNPQEXBA-CQSZACIVSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+]CCC1CC[NH+](CCC[C@H]2CCCO2)CC1 ZINC000087266442 179406675 /nfs/dbraw/zinc/40/66/75/179406675.db2.gz OHARJWGSYOFKKN-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH+](C)C[C@@H](N[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128895083 187396906 /nfs/dbraw/zinc/39/69/06/187396906.db2.gz IOGUZKWLZAWGEC-JKSUJKDBSA-N 2 0 261.413 2.021 10 0 CEAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911275 187398393 /nfs/dbraw/zinc/39/83/93/187398393.db2.gz ZKUOPKUHZOVJHC-CHWSQXEVSA-N 2 0 267.442 2.083 10 0 CEAERP CC[NH+](CC)CCN[C@@H](C[NH3+])c1cc(C)sc1C ZINC000087912694 179520381 /nfs/dbraw/zinc/52/03/81/179520381.db2.gz ZMFVBUBGJFZJTK-AWEZNQCLSA-N 2 0 269.458 2.296 10 0 CEAERP C[C@@]([NH3+])(CO)CCCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000088439699 179602143 /nfs/dbraw/zinc/60/21/43/179602143.db2.gz CXGBEXBSKSWGCA-LBPRGKRZSA-N 2 0 282.350 2.141 10 0 CEAERP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089150630 179725930 /nfs/dbraw/zinc/72/59/30/179725930.db2.gz CLEXVVSCXPSZKM-KYOSRNDESA-N 2 0 250.361 2.474 10 0 CEAERP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369571 233178594 /nfs/dbraw/zinc/17/85/94/233178594.db2.gz TUTXEYQYSFFBPX-CGTJXYLNSA-N 2 0 287.451 2.096 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000089452246 539717183 /nfs/dbraw/zinc/71/71/83/539717183.db2.gz JHHWGKCJUFZYMQ-HIFRSBDPSA-N 2 0 275.396 2.062 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]C1CCCCCC1 ZINC000090566255 180005234 /nfs/dbraw/zinc/00/52/34/180005234.db2.gz HQDCHPXOOOMKEK-HIFRSBDPSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000090566059 180005268 /nfs/dbraw/zinc/00/52/68/180005268.db2.gz WEQWSSBVHFYNRC-BARDWOONSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1CCC(CC)CC1 ZINC000090566354 180005456 /nfs/dbraw/zinc/00/54/56/180005456.db2.gz YGLXTOZEATYNNC-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@@]1(C[NH+]2CCC3(CCCC3)CC2)COC[C@H]1[NH3+] ZINC000090621051 180013637 /nfs/dbraw/zinc/01/36/37/180013637.db2.gz GQJQALVHODRUMQ-ZIAGYGMSSA-N 2 0 252.402 2.006 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1 ZINC000090694350 180026080 /nfs/dbraw/zinc/02/60/80/180026080.db2.gz UJRZNFJDIKAVMN-ZDUSSCGKSA-N 2 0 294.361 2.419 10 0 CEAERP c1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)O2 ZINC000090876230 180051352 /nfs/dbraw/zinc/05/13/52/180051352.db2.gz HOLNLMGQBGBJQY-BBWFWOEESA-N 2 0 286.419 2.454 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090876272 180052264 /nfs/dbraw/zinc/05/22/64/180052264.db2.gz YWTJDRCWZQDSTH-INIZCTEOSA-N 2 0 274.408 2.312 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)O2 ZINC000090897790 180056992 /nfs/dbraw/zinc/05/69/92/180056992.db2.gz JKFXVVHYAHRGNL-GOEBONIOSA-N 2 0 274.408 2.230 10 0 CEAERP C(C[NH+]1CCC2(CCCC2)CC1)[C@H]1C[NH2+]CCO1 ZINC000091314212 180133836 /nfs/dbraw/zinc/13/38/36/180133836.db2.gz UJNKQAQTILIOLG-AWEZNQCLSA-N 2 0 252.402 2.021 10 0 CEAERP CC(C)(C)NC(=O)C[C@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000091321606 180134481 /nfs/dbraw/zinc/13/44/81/180134481.db2.gz UWQRDVMPKBLEMC-CQSZACIVSA-N 2 0 295.471 2.275 10 0 CEAERP CCC[NH2+]Cc1cnn(CC[NH+](C)C)c1C(C)C ZINC000091338608 180136314 /nfs/dbraw/zinc/13/63/14/180136314.db2.gz ZQPDUSDFPNPTAP-UHFFFAOYSA-N 2 0 252.406 2.068 10 0 CEAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358954 180140573 /nfs/dbraw/zinc/14/05/73/180140573.db2.gz WLYSIURMORJJAV-PMPSAXMXSA-N 2 0 295.471 2.145 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360923 180141181 /nfs/dbraw/zinc/14/11/81/180141181.db2.gz ZDTPTJWVDFQEMZ-VGWMRTNUSA-N 2 0 295.471 2.144 10 0 CEAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360926 180141191 /nfs/dbraw/zinc/14/11/91/180141191.db2.gz FMAQKVYPRXZTFJ-JYJNAYRXSA-N 2 0 295.471 2.097 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275386 180118441 /nfs/dbraw/zinc/11/84/41/180118441.db2.gz YWNXTESULCNGIY-SWLSCSKDSA-N 2 0 262.401 2.338 10 0 CEAERP [NH3+]C[C@H]1CCCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275510 180119012 /nfs/dbraw/zinc/11/90/12/180119012.db2.gz FUNHCKNBVALKTO-WBMJQRKESA-N 2 0 274.412 2.482 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@@H]([NH+](C)C)C2)CCC(C)CC1 ZINC000091428413 180152795 /nfs/dbraw/zinc/15/27/95/180152795.db2.gz QXGDEIFPJWVGQZ-AQFXKWCLSA-N 2 0 281.488 2.428 10 0 CEAERP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1[C@@H](C)[NH3+] ZINC000091429759 180153010 /nfs/dbraw/zinc/15/30/10/180153010.db2.gz OJSVYOYPGKJCFE-KOLCDFICSA-N 2 0 268.430 2.002 10 0 CEAERP CC(C)CCC[NH2+]CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000091429738 180153051 /nfs/dbraw/zinc/15/30/51/180153051.db2.gz FOHGKIMZMHFXLI-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C1 ZINC000091432404 180153802 /nfs/dbraw/zinc/15/38/02/180153802.db2.gz KXCATZOXKZTOGW-NSHDSACASA-N 2 0 296.484 2.430 10 0 CEAERP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091459769 180160652 /nfs/dbraw/zinc/16/06/52/180160652.db2.gz JFESIEKAFORONL-CMTNHCDUSA-N 2 0 268.445 2.233 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091490539 180169999 /nfs/dbraw/zinc/16/99/99/180169999.db2.gz XOEGCWRMQIYFND-YMAMQOFZSA-N 2 0 256.434 2.103 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])C1 ZINC000091394723 180146161 /nfs/dbraw/zinc/14/61/61/180146161.db2.gz ALELVASIQRVLTF-OIISXLGYSA-N 2 0 273.424 2.027 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCC(COC)CC1 ZINC000091405243 180147111 /nfs/dbraw/zinc/14/71/11/180147111.db2.gz WGJRXWUHNDNAKM-CYBMUJFWSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)C[N@H+](CCO)Cc1ccccc1 ZINC000091403104 180147239 /nfs/dbraw/zinc/14/72/39/180147239.db2.gz GRFIKGPVZKXYQQ-AWEZNQCLSA-N 2 0 264.413 2.115 10 0 CEAERP CC[NH2+][C@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 ZINC000091565065 180193123 /nfs/dbraw/zinc/19/31/23/180193123.db2.gz JJGBKAJBVMOMBW-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@](C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091602052 180203062 /nfs/dbraw/zinc/20/30/62/180203062.db2.gz SBHQDRLKHWGMHE-HNNXBMFYSA-N 2 0 261.369 2.040 10 0 CEAERP C[NH+](C)C(C)(C)[C@H]([NH3+])CCc1ccc2c(c1)CCO2 ZINC000091528403 180180013 /nfs/dbraw/zinc/18/00/13/180180013.db2.gz HVXXUZHYSYBMNS-OAHLLOKOSA-N 2 0 262.397 2.222 10 0 CEAERP CCC(CC)([C@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635077 180211402 /nfs/dbraw/zinc/21/14/02/180211402.db2.gz FBFIEMZLLWOIPS-HNNXBMFYSA-N 2 0 290.455 2.449 10 0 CEAERP C[NH2+][C@@H]([C@H]1CCOC1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649070 180216277 /nfs/dbraw/zinc/21/62/77/180216277.db2.gz RSTSJVZPHMQQAS-GQKFXUNGSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1cc(C)nn1C ZINC000091716901 180232877 /nfs/dbraw/zinc/23/28/77/180232877.db2.gz CSHNOXCUXWGBHD-OAHLLOKOSA-N 2 0 280.460 2.371 10 0 CEAERP CC[NH2+][C@@H](C)c1cccn1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000091802145 180258852 /nfs/dbraw/zinc/25/88/52/180258852.db2.gz BICMHBUCVDQMRO-GJZGRUSLSA-N 2 0 279.428 2.268 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852327 180272614 /nfs/dbraw/zinc/27/26/14/180272614.db2.gz LMUXXHDEDAUTFD-HLIUYOAVSA-N 2 0 295.471 2.416 10 0 CEAERP CCC[N@H+](CCN(CC)CC)C1CCC([NH3+])CC1 ZINC000091852305 180273094 /nfs/dbraw/zinc/27/30/94/180273094.db2.gz FNLWLTXCPMFKQK-UHFFFAOYSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[N@H+]([C@H](CC)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852570 180273245 /nfs/dbraw/zinc/27/32/45/180273245.db2.gz IHOPKTWHAKSBQV-JXQTWKCFSA-N 2 0 270.417 2.310 10 0 CEAERP CC[N@H+](CC(=O)Nc1ccccc1F)C1CCC([NH3+])CC1 ZINC000091851093 180271810 /nfs/dbraw/zinc/27/18/10/180271810.db2.gz GBSKQKMGGCZOJZ-UHFFFAOYSA-N 2 0 293.386 2.356 10 0 CEAERP CC[N@H+](CC1(O)CCCCC1)C1CCC([NH3+])CC1 ZINC000091850662 180272037 /nfs/dbraw/zinc/27/20/37/180272037.db2.gz POHAMANZBZGRTP-UHFFFAOYSA-N 2 0 254.418 2.273 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCc2ccncc2)CC1 ZINC000091870336 180277075 /nfs/dbraw/zinc/27/70/75/180277075.db2.gz RPBIBZIAHQKZCB-UHFFFAOYSA-N 2 0 261.413 2.477 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000091870659 180277276 /nfs/dbraw/zinc/27/72/76/180277276.db2.gz JVQLMEATVXUTBJ-GPANFISMSA-N 2 0 274.408 2.453 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C2CCC3(CC2)OCCO3)CC1 ZINC000091871379 180277306 /nfs/dbraw/zinc/27/73/06/180277306.db2.gz ILYFWGUZGXQLSX-UHFFFAOYSA-N 2 0 282.428 2.135 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C2CCN(C(C)C)CC2)CC1 ZINC000091871172 180277360 /nfs/dbraw/zinc/27/73/60/180277360.db2.gz JTAKIUZJOXRPLE-UHFFFAOYSA-N 2 0 267.461 2.322 10 0 CEAERP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872893 180278292 /nfs/dbraw/zinc/27/82/92/180278292.db2.gz SEQQGWNKXPQERT-HWOWSKLDSA-N 2 0 295.471 2.240 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(C2(O)CC[NH+](CC)CC2)C1 ZINC000091906322 180284079 /nfs/dbraw/zinc/28/40/79/180284079.db2.gz UZVUMUDVECCQDF-LSDHHAIUSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@](O)([C@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCCC1 ZINC000091908012 180284352 /nfs/dbraw/zinc/28/43/52/180284352.db2.gz JLPHQWDUDYSQDA-KBPBESRZSA-N 2 0 254.418 2.036 10 0 CEAERP CCC[NH2+][C@H](C)c1cccn1C[C@H]1C[N@H+](CC)CCO1 ZINC000092060278 180315442 /nfs/dbraw/zinc/31/54/42/180315442.db2.gz RNMVYLOUGRTVKI-HUUCEWRRSA-N 2 0 279.428 2.269 10 0 CEAERP C[NH2+]Cc1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002226 180304278 /nfs/dbraw/zinc/30/42/78/180304278.db2.gz XLJVKTHUYZOGAD-CABCVRRESA-N 2 0 259.397 2.079 10 0 CEAERP C[NH2+]Cc1cccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003596 180304517 /nfs/dbraw/zinc/30/45/17/180304517.db2.gz QWBUNDRTKIAYLE-SJORKVTESA-N 2 0 273.424 2.075 10 0 CEAERP Cc1cc(NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[nH+]cc1N ZINC000092027656 180309726 /nfs/dbraw/zinc/30/97/26/180309726.db2.gz QRUNOWMZZZYNHJ-YHWZYXNKSA-N 2 0 260.385 2.399 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090213 180322560 /nfs/dbraw/zinc/32/25/60/180322560.db2.gz WPYMMVICTLBZCI-QLFBSQMISA-N 2 0 256.434 2.105 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@@H]2COc3ccccc32)CC1 ZINC000092300434 180358574 /nfs/dbraw/zinc/35/85/74/180358574.db2.gz OTAQOHZDNPJRGC-CQSZACIVSA-N 2 0 260.381 2.094 10 0 CEAERP CCCCC[C@](C)(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000106024616 186098661 /nfs/dbraw/zinc/09/86/61/186098661.db2.gz HERBGLGECPBVBR-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402169 180377819 /nfs/dbraw/zinc/37/78/19/180377819.db2.gz JHYSQNCXNNTXII-VXGBXAGGSA-N 2 0 255.431 2.188 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C[NH3+])ccc2F)C1 ZINC000109603715 186266876 /nfs/dbraw/zinc/26/68/76/186266876.db2.gz JGJWPTBJJACORE-ZDUSSCGKSA-N 2 0 294.370 2.060 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000109460184 186253488 /nfs/dbraw/zinc/25/34/88/186253488.db2.gz TUHQIQAHDMGHCS-QGZVFWFLSA-N 2 0 289.467 2.467 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000110478298 186298776 /nfs/dbraw/zinc/29/87/76/186298776.db2.gz QYRNMAWZGKMQDT-OLZOCXBDSA-N 2 0 282.432 2.446 10 0 CEAERP CCn1cc([C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cn1 ZINC000110645691 186308661 /nfs/dbraw/zinc/30/86/61/186308661.db2.gz LSDHHTFNEHSMFD-NWDGAFQWSA-N 2 0 250.390 2.023 10 0 CEAERP C[N@H+](C[C@H](O)c1ccc(C[NH3+])cc1)CC1CCCC1 ZINC000110833960 186328432 /nfs/dbraw/zinc/32/84/32/186328432.db2.gz MZBQKJWPAJCRCB-INIZCTEOSA-N 2 0 262.397 2.301 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705144 186314658 /nfs/dbraw/zinc/31/46/58/186314658.db2.gz XLUBEWODOHONKA-AAEUAGOBSA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705025 186314981 /nfs/dbraw/zinc/31/49/81/186314981.db2.gz SAJYCYXCMQBRRW-GXTWGEPZSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC[N@@H+]1C ZINC000110710531 186315433 /nfs/dbraw/zinc/31/54/33/186315433.db2.gz MXTBPAZAFRIGEY-XQLPTFJDSA-N 2 0 291.439 2.429 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110717188 186315539 /nfs/dbraw/zinc/31/55/39/186315539.db2.gz ZNDBSUYPCLGWFY-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715386 186315728 /nfs/dbraw/zinc/31/57/28/186315728.db2.gz YITXQXJMEQOPDG-JQHSSLGASA-N 2 0 287.451 2.417 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110717333 186316033 /nfs/dbraw/zinc/31/60/33/186316033.db2.gz JCRKTGOWYGNBMN-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H]1CN(CC[NH2+]Cc2sccc2C)CC[N@@H+]1C ZINC000110757490 186319861 /nfs/dbraw/zinc/31/98/61/186319861.db2.gz NRSKOZSNSPITMF-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP CC[C@H]1CN(CC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC000110757386 186320391 /nfs/dbraw/zinc/32/03/91/186320391.db2.gz AEXKLMADURFCGZ-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCN(CCC[NH2+]C2CCCCC2)CC1(C)C ZINC000110757714 186320465 /nfs/dbraw/zinc/32/04/65/186320465.db2.gz SMLAESOVBBSPEF-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754734 186320771 /nfs/dbraw/zinc/32/07/71/186320771.db2.gz XMICHEULSOIYQD-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110754804 186322182 /nfs/dbraw/zinc/32/21/82/186322182.db2.gz MUKFJVUSKADKIE-UHFFFAOYSA-N 2 0 279.428 2.304 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CCC[NH+](C)C ZINC000111131604 186355955 /nfs/dbraw/zinc/35/59/55/186355955.db2.gz WYYUXUZNCOAVES-ZFWWWQNUSA-N 2 0 267.417 2.250 10 0 CEAERP CN(CCC[NH+](C)C)c1cc(Cl)ccc1C[NH3+] ZINC000111129321 186355960 /nfs/dbraw/zinc/35/59/60/186355960.db2.gz KFYRVIWBPKPTMB-UHFFFAOYSA-N 2 0 255.793 2.187 10 0 CEAERP CCCC1(C[N@H+](C)CCC[NH+](C)C)CC[NH2+]CC1 ZINC000111140650 186357192 /nfs/dbraw/zinc/35/71/92/186357192.db2.gz YVXSAVFBENXOIQ-UHFFFAOYSA-N 3 0 255.450 2.040 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(OC)c(CN(C)CC[NH+](C)C)c1 ZINC000111135500 186357289 /nfs/dbraw/zinc/35/72/89/186357289.db2.gz KXLHFLZXJBXAQR-AWEZNQCLSA-N 2 0 293.455 2.359 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)CCC[NH+](C)C ZINC000111136470 186357538 /nfs/dbraw/zinc/35/75/38/186357538.db2.gz OYFKJSVMELZIPR-HOCLYGCPSA-N 2 0 263.429 2.219 10 0 CEAERP CCC[NH2+]C[C@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111147334 186358278 /nfs/dbraw/zinc/35/82/78/186358278.db2.gz YTVGGYSCEAXBEQ-GOSISDBHSA-N 2 0 291.483 2.437 10 0 CEAERP CN(CC[NH+](C)C)C[C@](C)(C[NH2+]C1CC1)c1ccccc1 ZINC000111146643 186358927 /nfs/dbraw/zinc/35/89/27/186358927.db2.gz SOKKLTBRSVSPLT-SFHVURJKSA-N 2 0 289.467 2.190 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@@H]([NH3+])c1ccccc1F ZINC000111147675 186359494 /nfs/dbraw/zinc/35/94/94/186359494.db2.gz HESWQURMFZZDFT-OAHLLOKOSA-N 2 0 267.392 2.099 10 0 CEAERP CCC[NH2+]Cc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000111149947 186360201 /nfs/dbraw/zinc/36/02/01/186360201.db2.gz BNJIALYPGALJQN-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111175084 186365679 /nfs/dbraw/zinc/36/56/79/186365679.db2.gz ZLOWDTHXLCDEMW-CABCVRRESA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+]C[C@@]1(C[NH+]2CCC(C)CC2)CCCOC1 ZINC000111323612 186397596 /nfs/dbraw/zinc/39/75/96/186397596.db2.gz TVPZCTZWXPTXPG-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326871 186398140 /nfs/dbraw/zinc/39/81/40/186398140.db2.gz SUSQIBFDBYMLGB-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCCOC1 ZINC000111329911 186399881 /nfs/dbraw/zinc/39/98/81/186399881.db2.gz VHVFCAOXUMSHQK-IRXDYDNUSA-N 2 0 298.471 2.140 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000111266852 186383168 /nfs/dbraw/zinc/38/31/68/186383168.db2.gz RUCCXQQZFGYBTP-UKRRQHHQSA-N 2 0 289.423 2.322 10 0 CEAERP Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1CC[NH3+] ZINC000111481056 186422843 /nfs/dbraw/zinc/42/28/43/186422843.db2.gz SFSFAVWMQUPMKM-INIZCTEOSA-N 2 0 261.413 2.027 10 0 CEAERP CC[C@@H]1CCCC[C@@H]1[NH+]1CCN(C(C)(C)C[NH3+])CC1 ZINC000111743940 186452122 /nfs/dbraw/zinc/45/21/22/186452122.db2.gz KMWSKTNARDAEFU-CABCVRRESA-N 2 0 267.461 2.310 10 0 CEAERP CO[C@@H]1C[N@H+](CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359950 351711316 /nfs/dbraw/zinc/71/13/16/351711316.db2.gz NVZOZTPOCDHLIC-GJZGRUSLSA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])[C@@H](C)CC)c1 ZINC000123913553 187114422 /nfs/dbraw/zinc/11/44/22/187114422.db2.gz VUUPOFCEMMWBLS-SMDDNHRTSA-N 2 0 263.385 2.108 10 0 CEAERP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCC3(F)F)C2)C1 ZINC000336268359 283107085 /nfs/dbraw/zinc/10/70/85/283107085.db2.gz AWSUADWUYANQIP-CHWSQXEVSA-N 2 0 258.356 2.449 10 0 CEAERP [NH3+]C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccc2ccccc2c1 ZINC000262786415 540201563 /nfs/dbraw/zinc/20/15/63/540201563.db2.gz MSSMGFUYWHVQHV-INIZCTEOSA-N 2 0 297.402 2.227 10 0 CEAERP C[NH+](C)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903575 540524034 /nfs/dbraw/zinc/52/40/34/540524034.db2.gz MDNJWIBKNIPSJV-OAGGEKHMSA-N 2 0 261.413 2.149 10 0 CEAERP CCC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000153673494 366736511 /nfs/dbraw/zinc/73/65/11/366736511.db2.gz PSQPHGQMORNGPI-CVEARBPZSA-N 2 0 295.471 2.194 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181669 365385901 /nfs/dbraw/zinc/38/59/01/365385901.db2.gz HALWSPCHPQLCIF-CQSZACIVSA-N 2 0 276.384 2.338 10 0 CEAERP COc1ccccc1CC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000583982023 367123499 /nfs/dbraw/zinc/12/34/99/367123499.db2.gz FKLJIOJJRCMTTP-HIFRSBDPSA-N 2 0 262.397 2.215 10 0 CEAERP C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843128 367586266 /nfs/dbraw/zinc/58/62/66/367586266.db2.gz JNZPMSNPASYRFN-NEPJUHHUSA-N 2 0 268.788 2.245 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000262590666 284006651 /nfs/dbraw/zinc/00/66/51/284006651.db2.gz UTLACDMGIJSFLR-UXLLHSPISA-N 2 0 289.423 2.066 10 0 CEAERP C[C@@H]1C[N@H+](C[C@@H]2CCOc3ccccc32)C[C@@H]1C[NH3+] ZINC000634999256 369033138 /nfs/dbraw/zinc/03/31/38/369033138.db2.gz RQPYQCZKHKDVIZ-RDBSUJKOSA-N 2 0 260.381 2.079 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000231668374 370485568 /nfs/dbraw/zinc/48/55/68/370485568.db2.gz SUXJFKBLJKIOHZ-HNNXBMFYSA-N 2 0 275.396 2.089 10 0 CEAERP Cc1ccnc(NCC[C@H](C)[NH3+])c1Br ZINC000235490058 370567245 /nfs/dbraw/zinc/56/72/45/370567245.db2.gz KLRUUBOPNJQAHS-QMMMGPOBSA-N 2 0 258.163 2.302 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]1C[NH3+] ZINC000236988983 189857065 /nfs/dbraw/zinc/85/70/65/189857065.db2.gz XEOWUXFKQRHUBF-HNNXBMFYSA-N 2 0 283.460 2.228 10 0 CEAERP [NH3+]C1CCN(C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000253565711 371530263 /nfs/dbraw/zinc/53/02/63/371530263.db2.gz IBIOOIHKRUQSMZ-KRWDZBQOSA-N 2 0 273.424 2.074 10 0 CEAERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261581494 371660828 /nfs/dbraw/zinc/66/08/28/371660828.db2.gz GESGXVNZQWBSCS-NUEKZKHPSA-N 2 0 260.381 2.254 10 0 CEAERP CCCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261767768 371725386 /nfs/dbraw/zinc/72/53/86/371725386.db2.gz RXDFMDSZMJSELE-MSOLQXFVSA-N 2 0 298.434 2.467 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CC1CC[NH2+]CC1 ZINC000261803665 371737055 /nfs/dbraw/zinc/73/70/55/371737055.db2.gz HEKFGXAKBXSLJD-CABCVRRESA-N 2 0 282.428 2.088 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC000112697845 296181354 /nfs/dbraw/zinc/18/13/54/296181354.db2.gz NDNNOKRVKMERLP-CQSZACIVSA-N 2 0 270.461 2.447 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000262590665 190057766 /nfs/dbraw/zinc/05/77/66/190057766.db2.gz UTLACDMGIJSFLR-INMHGKMJSA-N 2 0 289.423 2.066 10 0 CEAERP CCCC[NH+]1CCC(N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563445928 377227981 /nfs/dbraw/zinc/22/79/81/377227981.db2.gz PSRHSVAXFMJQHB-CABCVRRESA-N 2 0 267.461 2.229 10 0 CEAERP C[C@H]([NH2+]CCSCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000564825540 377466464 /nfs/dbraw/zinc/46/64/64/377466464.db2.gz OQVWLLBBINBHIF-UWVGGRQHSA-N 2 0 270.364 2.260 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cc(Cl)cs2)CC1 ZINC000093095232 184648678 /nfs/dbraw/zinc/64/86/78/184648678.db2.gz MJASZLNJIXYUKD-GFCCVEGCSA-N 2 0 287.860 2.429 10 0 CEAERP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000388768243 542372153 /nfs/dbraw/zinc/37/21/53/542372153.db2.gz FZWKUNSZOSYSJB-KFWWJZLASA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](COCC(C)(C)[NH+](C)C)O1 ZINC000093955553 184745795 /nfs/dbraw/zinc/74/57/95/184745795.db2.gz VKMAVCKBCGOQOJ-CABCVRRESA-N 2 0 286.460 2.136 10 0 CEAERP CCC[NH2+][C@H]1[C@H](N(C)CCC[NH+](C)C)CCC1(C)C ZINC000094306253 184778682 /nfs/dbraw/zinc/77/86/82/184778682.db2.gz YDXQHNYBVRNOFZ-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+]([C@H]2CCOC3(CCC3)C2)CC1 ZINC000094361537 184789370 /nfs/dbraw/zinc/78/93/70/184789370.db2.gz IMICMXJEPYAPPH-HIFRSBDPSA-N 2 0 266.429 2.408 10 0 CEAERP C[C@]1(C[NH2+][C@]2(C[NH3+])CCCC(C)(C)C2)CCCO1 ZINC000094799401 184866344 /nfs/dbraw/zinc/86/63/44/184866344.db2.gz BYHJYUQEXVDGBP-HUUCEWRRSA-N 2 0 254.418 2.443 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094465857 184806859 /nfs/dbraw/zinc/80/68/59/184806859.db2.gz KGMALOSAEKGTME-OAHLLOKOSA-N 2 0 267.461 2.038 10 0 CEAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694317 285362889 /nfs/dbraw/zinc/36/28/89/285362889.db2.gz YKKZNQFUGPKJAF-CVEARBPZSA-N 2 0 266.429 2.240 10 0 CEAERP C[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400462895 533391681 /nfs/dbraw/zinc/39/16/81/533391681.db2.gz VCEQYFSFHCRQLA-KGLIPLIRSA-N 2 0 272.396 2.014 10 0 CEAERP C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400409610 533403845 /nfs/dbraw/zinc/40/38/45/533403845.db2.gz STJIYMIWMMTOAC-ZYHUDNBSSA-N 2 0 254.324 2.095 10 0 CEAERP C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129098611 533661433 /nfs/dbraw/zinc/66/14/33/533661433.db2.gz IWCPYTCGGOWOOG-DZGCQCFKSA-N 2 0 262.397 2.445 10 0 CEAERP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1C[C@@H](C)[NH3+] ZINC000091432412 135069844 /nfs/dbraw/zinc/06/98/44/135069844.db2.gz GRLIFIYYTHEEMR-PBHICJAKSA-N 2 0 275.440 2.415 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000091431904 135069879 /nfs/dbraw/zinc/06/98/79/135069879.db2.gz CVMRLCXINUOALR-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000422858265 394833986 /nfs/dbraw/zinc/83/39/86/394833986.db2.gz ZNOIOJKFBQDDAT-MXWKQRLJSA-N 2 0 250.308 2.307 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337240261 394887179 /nfs/dbraw/zinc/88/71/79/394887179.db2.gz AUWFJXIHZLRMNM-VQHPVUNQSA-N 2 0 280.456 2.486 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000389248497 400536597 /nfs/dbraw/zinc/53/65/97/400536597.db2.gz CTRKQIDSKPPDDP-BZUAXINKSA-N 2 0 268.445 2.392 10 0 CEAERP CCC(O)(CC)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000165454471 162344508 /nfs/dbraw/zinc/34/45/08/162344508.db2.gz YPOBVIYOZIAGNA-UHFFFAOYSA-N 2 0 268.445 2.488 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000006852887 170249202 /nfs/dbraw/zinc/24/92/02/170249202.db2.gz VSXMCXMPHABKPM-CQSZACIVSA-N 2 0 262.397 2.441 10 0 CEAERP COc1ccc(C[C@@H](C[NH3+])C[NH+]2CCCCC2)cc1 ZINC000011800283 170441724 /nfs/dbraw/zinc/44/17/24/170441724.db2.gz YAPHVZMIOSZYKC-HNNXBMFYSA-N 2 0 262.397 2.299 10 0 CEAERP C[C@](C[NH3+])(CCc1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000019473996 170806632 /nfs/dbraw/zinc/80/66/32/170806632.db2.gz CRERENKRGUNBQE-MRXNPFEDSA-N 2 0 276.380 2.161 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000020179461 171044500 /nfs/dbraw/zinc/04/45/00/171044500.db2.gz IPHLYMUDQOOKQT-INIZCTEOSA-N 2 0 261.413 2.022 10 0 CEAERP Cc1cc(C)c(OC[C@@H](CC[NH3+])[NH+](C)C)cc1C ZINC000020401595 171181334 /nfs/dbraw/zinc/18/13/34/171181334.db2.gz CAPDCDSCKYVQHH-CQSZACIVSA-N 2 0 250.386 2.270 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000022175741 171370573 /nfs/dbraw/zinc/37/05/73/171370573.db2.gz MMQXBSSOBMLARP-VHDGCEQUSA-N 2 0 291.439 2.429 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)Cc2ccsc2)CC1 ZINC000035719042 172372899 /nfs/dbraw/zinc/37/28/99/172372899.db2.gz NHYQSUQKZJDOQS-UHFFFAOYSA-N 2 0 281.469 2.382 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@@H](C)CC)CC1 ZINC000037172710 173006833 /nfs/dbraw/zinc/00/68/33/173006833.db2.gz MXLKYUPPEDCIFX-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP CC[NH+](CC)CCCNc1[nH+]c(C)cc(C)c1C(N)=S ZINC000040510070 174303851 /nfs/dbraw/zinc/30/38/51/174303851.db2.gz XQBFNFIEAMBWPS-UHFFFAOYSA-N 2 0 294.468 2.476 10 0 CEAERP [NH3+][C@@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693919 174377661 /nfs/dbraw/zinc/37/76/61/174377661.db2.gz FQGRPJADKMWKSF-HZPDHXFCSA-N 2 0 265.445 2.207 10 0 CEAERP C(CN1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000040694113 174377798 /nfs/dbraw/zinc/37/77/98/174377798.db2.gz PJCOWPWEGXZWFX-MRXNPFEDSA-N 2 0 279.472 2.469 10 0 CEAERP CCN(C1CC[NH+](CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747487 174392927 /nfs/dbraw/zinc/39/29/27/174392927.db2.gz VKSIIFZVHPEVBJ-MZBDJJRSSA-N 2 0 265.445 2.076 10 0 CEAERP CC(C)[C@@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCCC1 ZINC000040831132 174412877 /nfs/dbraw/zinc/41/28/77/174412877.db2.gz BRNIVIUNONZUTL-OAHLLOKOSA-N 2 0 283.460 2.132 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@@H]([NH3+])Cc1ccccc1 ZINC000042781899 174877620 /nfs/dbraw/zinc/87/76/20/174877620.db2.gz ZRLXNNCJJOMHFY-KRWDZBQOSA-N 2 0 277.456 2.076 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](C3CC3)CC2)c1C ZINC000043314879 175004684 /nfs/dbraw/zinc/00/46/84/175004684.db2.gz NHOFXWWMELUIDT-QGZVFWFLSA-N 2 0 273.424 2.083 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CCC(C[NH+](C)C)CC1 ZINC000043347946 175017860 /nfs/dbraw/zinc/01/78/60/175017860.db2.gz JNTTZIKYCURXJZ-IRXDYDNUSA-N 2 0 290.455 2.134 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](C(C)(C)C)CC2)o1 ZINC000043364753 175025627 /nfs/dbraw/zinc/02/56/27/175025627.db2.gz IATQMCIWHKZAIG-HIFRSBDPSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@@H]([C@H]([NH2+]C)c1ccccc1)N1CC[NH+](CC)CC1 ZINC000043805901 175108127 /nfs/dbraw/zinc/10/81/27/175108127.db2.gz FHTAAPAKZPQGHK-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CCc1ccc([C@H]([NH2+]C)[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000043810629 175109806 /nfs/dbraw/zinc/10/98/06/175109806.db2.gz MHFCEGQPCCIJMD-WMLDXEAASA-N 2 0 275.440 2.145 10 0 CEAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1C ZINC000043818158 175113241 /nfs/dbraw/zinc/11/32/41/175113241.db2.gz CRRRPZJBOMSRQT-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818467 175113325 /nfs/dbraw/zinc/11/33/25/175113325.db2.gz AVGZFMWQRXJICZ-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965461 175126605 /nfs/dbraw/zinc/12/66/05/175126605.db2.gz GZMQWUMCLDWLJS-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967572 175128558 /nfs/dbraw/zinc/12/85/58/175128558.db2.gz QBTUOGWYLUXUFU-MAUKXSAKSA-N 2 0 287.451 2.424 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043967833 175128992 /nfs/dbraw/zinc/12/89/92/175128992.db2.gz RZNONTLIXXDCGW-CRAIPNDOSA-N 2 0 287.451 2.363 10 0 CEAERP CC[NH2+][C@H](CC)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970717 175132265 /nfs/dbraw/zinc/13/22/65/175132265.db2.gz FYIPQFHUOHKVPL-UKRRQHHQSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045113987 175311067 /nfs/dbraw/zinc/31/10/67/175311067.db2.gz VMBXJTDAXSXPQT-NEPJUHHUSA-N 2 0 278.400 2.039 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372325 175365023 /nfs/dbraw/zinc/36/50/23/175365023.db2.gz LPJKLVIBDQFXKS-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379160 175368171 /nfs/dbraw/zinc/36/81/71/175368171.db2.gz BGYIYFKIAKSOLQ-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392030 175375492 /nfs/dbraw/zinc/37/54/92/175375492.db2.gz WCWGISGZFOWPIN-HOCLYGCPSA-N 2 0 285.476 2.375 10 0 CEAERP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283062 415673740 /nfs/dbraw/zinc/67/37/40/415673740.db2.gz HAXBHGLRRXPVIA-NWANDNLSSA-N 2 0 254.418 2.169 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071038107 176026679 /nfs/dbraw/zinc/02/66/79/176026679.db2.gz ATOKZROJTGIASE-GDBMZVCRSA-N 2 0 295.471 2.240 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000071124872 176034817 /nfs/dbraw/zinc/03/48/17/176034817.db2.gz UEWGTZRTAUMUAF-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])([N@H+](CCCOC)CCOC)C1 ZINC000071124069 176034866 /nfs/dbraw/zinc/03/48/66/176034866.db2.gz TUXQLLNNEBOSBD-HOTGVXAUSA-N 2 0 286.460 2.269 10 0 CEAERP CC[C@@H]1CCC[C@H]([NH+]2CCN(C[C@@H](C)C[NH3+])CC2)C1 ZINC000071147442 176043130 /nfs/dbraw/zinc/04/31/30/176043130.db2.gz FTRLHQJFWFTQLU-XHSDSOJGSA-N 2 0 267.461 2.168 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCSc2ccccc21 ZINC000071148851 176044639 /nfs/dbraw/zinc/04/46/39/176044639.db2.gz MQQCAYDWXUNTFF-HNNXBMFYSA-N 2 0 291.464 2.061 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187949 176061907 /nfs/dbraw/zinc/06/19/07/176061907.db2.gz GRDVPNYWUIRVSP-UXLLHSPISA-N 2 0 275.440 2.267 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000071188702 176063313 /nfs/dbraw/zinc/06/33/13/176063313.db2.gz IUSGWZXSAAYDRH-LVQVYYBASA-N 2 0 281.488 2.412 10 0 CEAERP CC[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188905 176063956 /nfs/dbraw/zinc/06/39/56/176063956.db2.gz OPSBRBZMGRKDKV-NVXWUHKLSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188984 176064514 /nfs/dbraw/zinc/06/45/14/176064514.db2.gz OVWXUZIFTXXADT-UXLLHSPISA-N 2 0 275.440 2.219 10 0 CEAERP CCC[NH2+][C@H](C)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188979 176064744 /nfs/dbraw/zinc/06/47/44/176064744.db2.gz CCDFZBYFYFFLKO-CABCVRRESA-N 3 0 255.450 2.038 10 0 CEAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)cc1 ZINC000071188983 176065027 /nfs/dbraw/zinc/06/50/27/176065027.db2.gz GGIDUQBKGKAHKM-WBVHZDCISA-N 2 0 275.440 2.139 10 0 CEAERP CC[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071191363 176069174 /nfs/dbraw/zinc/06/91/74/176069174.db2.gz ZRXMFHJMTMGNJE-HUUCEWRRSA-N 2 0 269.477 2.284 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191299 176069332 /nfs/dbraw/zinc/06/93/32/176069332.db2.gz FNKNYKYMHAFGLI-WBVHZDCISA-N 2 0 275.440 2.268 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000071191669 176071770 /nfs/dbraw/zinc/07/17/70/176071770.db2.gz ZPRFHXMAGCVKHK-HNNXBMFYSA-N 2 0 290.455 2.358 10 0 CEAERP CC[NH2+]Cc1cnc(N(C)C[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC000071191744 176071936 /nfs/dbraw/zinc/07/19/36/176071936.db2.gz OVFFCNFQQLUAPW-GFCCVEGCSA-N 2 0 296.846 2.232 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191941 176071950 /nfs/dbraw/zinc/07/19/50/176071950.db2.gz JMMDIVPPJSNUHI-HNNXBMFYSA-N 2 0 293.455 2.409 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192329 176073653 /nfs/dbraw/zinc/07/36/53/176073653.db2.gz ZRLFHCYMNOENSY-SOUVJXGZSA-N 2 0 255.450 2.037 10 0 CEAERP CCC(CC)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192308 176073829 /nfs/dbraw/zinc/07/38/29/176073829.db2.gz XHMSNTHOTSETMQ-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+][C@H]1CCN(CCCC[N@H+](C)C(C)C)C1 ZINC000071200754 176077651 /nfs/dbraw/zinc/07/76/51/176077651.db2.gz YYVJFUULBRVWHN-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCCCC[NH2+]C)CC1 ZINC000071289792 176110573 /nfs/dbraw/zinc/11/05/73/176110573.db2.gz JBERNBRDPODAHH-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CN(C)C[C@H]1CCC[N@@H+]1CCCCCC[NH2+]C1CC1 ZINC000071289815 176110665 /nfs/dbraw/zinc/11/06/65/176110665.db2.gz URSJKJMXFDHGBG-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]Cc1ccnn1C ZINC000071333639 176126331 /nfs/dbraw/zinc/12/63/31/176126331.db2.gz QKSXQAYJNBIFKM-MZBDJJRSSA-N 2 0 276.428 2.019 10 0 CEAERP CN(c1ccccc1)[C@H](CC[NH3+])C[NH+]1CCCCC1 ZINC000076673569 177055080 /nfs/dbraw/zinc/05/50/80/177055080.db2.gz SKVDFCLZADDXSZ-MRXNPFEDSA-N 2 0 261.413 2.326 10 0 CEAERP CCCC[NH+]1CCC(NC(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000079117348 177435920 /nfs/dbraw/zinc/43/59/20/177435920.db2.gz GCLBFRLFCJXNDO-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP CCC(CC)[C@H](CNC(=O)CC[C@H](C)CC[NH3+])[NH+](C)C ZINC000079119425 177437057 /nfs/dbraw/zinc/43/70/57/177437057.db2.gz GXAPCVPNOZGCAB-ZFWWWQNUSA-N 2 0 285.476 2.234 10 0 CEAERP CC(C)[C@H](CC[NH3+])CCC(=O)NCC[NH+]1CCCCCC1 ZINC000079277745 177461634 /nfs/dbraw/zinc/46/16/34/177461634.db2.gz MOSNEDKOEPFGHE-INIZCTEOSA-N 2 0 297.487 2.380 10 0 CEAERP CC(C)[C@H](CNC(=O)CC[C@@H](CC[NH3+])C(C)C)[NH+](C)C ZINC000079277803 177461680 /nfs/dbraw/zinc/46/16/80/177461680.db2.gz ICSKZESXOLRZGY-GJZGRUSLSA-N 2 0 285.476 2.090 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000079625897 177528696 /nfs/dbraw/zinc/52/86/96/177528696.db2.gz JVSFTYMJFMKMGX-ZNMIVQPWSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1N(C)CCC[NH+](C)C ZINC000079626276 177529208 /nfs/dbraw/zinc/52/92/08/177529208.db2.gz AUMDNYZWKXNFRA-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H](COCc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000390537890 262211042 /nfs/dbraw/zinc/21/10/42/262211042.db2.gz POVCARCJPOWSMK-JEYLPNPQSA-N 2 0 262.397 2.451 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000423029120 281000436 /nfs/dbraw/zinc/00/04/36/281000436.db2.gz RQWCLDHHDVTCCJ-MMCPYJTDSA-N 2 0 264.413 2.194 10 0 CEAERP C[C@@H](CCOCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000389957631 321892978 /nfs/dbraw/zinc/89/29/78/321892978.db2.gz XTAWFISKWCFGGY-AWEZNQCLSA-N 2 0 262.397 2.323 10 0 CEAERP CC(C)[N@@H+](Cc1cccs1)C[C@H]1CC[C@H](C[NH3+])O1 ZINC000052544997 519661629 /nfs/dbraw/zinc/66/16/29/519661629.db2.gz MWRVKJJBSZLFPQ-CHWSQXEVSA-N 2 0 268.426 2.465 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371163 519745375 /nfs/dbraw/zinc/74/53/75/519745375.db2.gz XGXWSRIRCXYUPS-LSDHHAIUSA-N 2 0 286.485 2.219 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654645 519743643 /nfs/dbraw/zinc/74/36/43/519743643.db2.gz MGMGOZJQAHJXJB-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[C@H](C[NH3+])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702299 519815074 /nfs/dbraw/zinc/81/50/74/519815074.db2.gz FLLBEYRJSHPHCG-CVEARBPZSA-N 2 0 262.397 2.261 10 0 CEAERP CCCC1CCN(C2(C[NH3+])CC[NH+](CC)CC2)CC1 ZINC000050893307 519900995 /nfs/dbraw/zinc/90/09/95/519900995.db2.gz LPOOGIGJTZEQQV-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)COC)oc1C ZINC000052572324 519987272 /nfs/dbraw/zinc/98/72/72/519987272.db2.gz BPZPAKHLZURMFR-ZDUSSCGKSA-N 2 0 298.427 2.181 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](C)C2CCOCC2)cc1 ZINC000052481244 519995888 /nfs/dbraw/zinc/99/58/88/519995888.db2.gz RWLDARDPHVRINE-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000062741087 520306944 /nfs/dbraw/zinc/30/69/44/520306944.db2.gz UBCAQIMWFYXWHK-NWDGAFQWSA-N 2 0 256.415 2.495 10 0 CEAERP CCCc1nc(N2CCC(C[NH+](C)C)CC2)sc1C[NH3+] ZINC000054999442 521530825 /nfs/dbraw/zinc/53/08/25/521530825.db2.gz RLLHKXAZQFCXJU-UHFFFAOYSA-N 2 0 296.484 2.332 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](CC[NH3+])c1ccccc1 ZINC000055017547 521657819 /nfs/dbraw/zinc/65/78/19/521657819.db2.gz GLTUREWCTXIVFX-MRXNPFEDSA-N 2 0 263.429 2.350 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](CC)C[NH2+]CC(C)C ZINC000052544141 521657500 /nfs/dbraw/zinc/65/75/00/521657500.db2.gz FCAOWMALJDJQQB-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP C(CN1CCC[N@@H+]2CCC[C@@H]2C1)[NH2+]C1CCCCCC1 ZINC000062942668 518387840 /nfs/dbraw/zinc/38/78/40/518387840.db2.gz OFMDECHOCXQXSK-QGZVFWFLSA-N 2 0 279.472 2.469 10 0 CEAERP CC(C)[N@H+](CCN1CCC[NH2+]CC1)Cc1cccs1 ZINC000061275384 519646453 /nfs/dbraw/zinc/64/64/53/519646453.db2.gz HHXRLKBFSDCFHU-UHFFFAOYSA-N 2 0 281.469 2.254 10 0 CEAERP CC(C)[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016006 519683520 /nfs/dbraw/zinc/68/35/20/519683520.db2.gz VOUGVOLWVRNMAK-MRXNPFEDSA-N 2 0 261.413 2.103 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])CCCC[C@H]2C)CC1 ZINC000055078467 519727896 /nfs/dbraw/zinc/72/78/96/519727896.db2.gz ILAQWEGIFDCBLW-HZPDHXFCSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424987 519728421 /nfs/dbraw/zinc/72/84/21/519728421.db2.gz OHYVAVODKQVLJG-UHFFFAOYSA-N 2 0 279.432 2.042 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)CN1CC[NH+](CC(C)C)CC1 ZINC000055083053 519744616 /nfs/dbraw/zinc/74/46/16/519744616.db2.gz RMXQLIFDPXXIGF-MRXNPFEDSA-N 2 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(COCCC[NH+](C)C)o1 ZINC000052672369 519747237 /nfs/dbraw/zinc/74/72/37/519747237.db2.gz NYLXAFZKXKLBGM-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)C(C)(C)C)nn1 ZINC000052504455 519748126 /nfs/dbraw/zinc/74/81/26/519748126.db2.gz RJYSGQMSPVSKTL-CQSZACIVSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000050950227 519794470 /nfs/dbraw/zinc/79/44/70/519794470.db2.gz INIUZAINGSGGKE-JKSUJKDBSA-N 2 0 295.471 2.145 10 0 CEAERP CCCC1(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000062850482 519887641 /nfs/dbraw/zinc/88/76/41/519887641.db2.gz CVGLQJDMGXSOSR-HNNXBMFYSA-N 2 0 295.471 2.004 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054626681 519907229 /nfs/dbraw/zinc/90/72/29/519907229.db2.gz GURBGKBIRNILDA-OZEOOWDWSA-N 2 0 266.429 2.285 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)[NH+](C)C ZINC000054602368 519910018 /nfs/dbraw/zinc/91/00/18/519910018.db2.gz UJLDDGQDDQEQHX-GOOCMWNKSA-N 2 0 267.461 2.322 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccn1 ZINC000054627721 519910788 /nfs/dbraw/zinc/91/07/88/519910788.db2.gz QRURPJLXLXUVAT-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP CCC[NH2+]CCCCC[N@H+](CCCOC)CCOC ZINC000052543290 519912189 /nfs/dbraw/zinc/91/21/89/519912189.db2.gz DDDYHIKCKQFIAO-UHFFFAOYSA-N 2 0 274.449 2.141 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543924 519920217 /nfs/dbraw/zinc/92/02/17/519920217.db2.gz RVBNVDASPPUTAA-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503397 519925112 /nfs/dbraw/zinc/92/51/12/519925112.db2.gz XPWMOROSVVDUIK-IRXDYDNUSA-N 2 0 299.503 2.053 10 0 CEAERP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541573 519942568 /nfs/dbraw/zinc/94/25/68/519942568.db2.gz ABVIMJWBXLVALD-CYBMUJFWSA-N 2 0 250.386 2.373 10 0 CEAERP CC[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000061233909 519943015 /nfs/dbraw/zinc/94/30/15/519943015.db2.gz REUVZTPYYCVFLD-CQSZACIVSA-N 2 0 289.423 2.467 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420851 519952698 /nfs/dbraw/zinc/95/26/98/519952698.db2.gz NUOZOWKPEFXAQE-XGUBFFRZSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572349 519972314 /nfs/dbraw/zinc/97/23/14/519972314.db2.gz PXULLAQSHMTVFZ-CQSZACIVSA-N 2 0 298.427 2.263 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](CCCOC)CCOC ZINC000052543248 519972683 /nfs/dbraw/zinc/97/26/83/519972683.db2.gz XSEKTIIBQLEJFD-UHFFFAOYSA-N 2 0 298.427 2.264 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347060 519977448 /nfs/dbraw/zinc/97/74/48/519977448.db2.gz QQYGQERPQGAEFL-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](CCOC)[C@H](C)COC ZINC000052572450 520006045 /nfs/dbraw/zinc/00/60/45/520006045.db2.gz ZNPMMXQMRJEMFJ-OAHLLOKOSA-N 2 0 294.439 2.279 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)C1CC1 ZINC000069075023 520008679 /nfs/dbraw/zinc/00/86/79/520008679.db2.gz OAQLYSLJHJSICI-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643760 520019311 /nfs/dbraw/zinc/01/93/11/520019311.db2.gz CUUCVROYUXTJIQ-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](C)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055078729 520073217 /nfs/dbraw/zinc/07/32/17/520073217.db2.gz VGSRFCZZOLWRCW-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000054560322 520218237 /nfs/dbraw/zinc/21/82/37/520218237.db2.gz LYLZDKCRXVEJHH-VQHPVUNQSA-N 2 0 282.472 2.494 10 0 CEAERP CCC[C@@H](C)[NH2+]CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062974249 520667114 /nfs/dbraw/zinc/66/71/14/520667114.db2.gz GVOGAILYYNMJFT-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]C2CCCCC2)C1 ZINC000062974398 520872137 /nfs/dbraw/zinc/87/21/37/520872137.db2.gz ROXXLCOPOBXVRP-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C)CCOCC1)C1CCCC1 ZINC000052181641 520937466 /nfs/dbraw/zinc/93/74/66/520937466.db2.gz NHRMMRGAQYKXRH-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[N@H+](CCOC)Cc1oc2ccccc2c1C[NH3+] ZINC000052542734 521138096 /nfs/dbraw/zinc/13/80/96/521138096.db2.gz STAROPONQZMFDU-UHFFFAOYSA-N 2 0 262.353 2.360 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)[C@@H](C)COC ZINC000052504853 521288183 /nfs/dbraw/zinc/28/81/83/521288183.db2.gz ARLWZVNZZQGWJA-ZDUSSCGKSA-N 2 0 283.416 2.277 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CCCC[NH+](C)C)C1 ZINC000045663860 521651233 /nfs/dbraw/zinc/65/12/33/521651233.db2.gz PMWUERIJYAPYGU-CABCVRRESA-N 3 0 255.450 2.038 10 0 CEAERP CCC[N@H+](CCN(C)C)[C@@H](C)CCC[NH2+]C(C)C ZINC000052544235 521657741 /nfs/dbraw/zinc/65/77/41/521657741.db2.gz RAQYOJKNNXEZLI-HNNXBMFYSA-N 2 0 257.466 2.427 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054602259 521956908 /nfs/dbraw/zinc/95/69/08/521956908.db2.gz OBWMBZXNQFDTOZ-ZKXZWOTCSA-N 2 0 252.402 2.159 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCCCC1 ZINC000061653461 521969346 /nfs/dbraw/zinc/96/93/46/521969346.db2.gz GKZLYKKUDDBUJQ-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065443 522120169 /nfs/dbraw/zinc/12/01/69/522120169.db2.gz LNNXBKFBPUPNQC-RHSMWYFYSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055064213 522123344 /nfs/dbraw/zinc/12/33/44/522123344.db2.gz ZAZYEUXTXAIAIS-WBVHZDCISA-N 2 0 275.440 2.145 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000052507227 522126865 /nfs/dbraw/zinc/12/68/65/522126865.db2.gz WKRBVUOKGQRQGR-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064760 522131039 /nfs/dbraw/zinc/13/10/39/522131039.db2.gz WFXUYHUJRKCECB-HUUCEWRRSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000055068748 522133411 /nfs/dbraw/zinc/13/34/11/522133411.db2.gz VNJSRUNEFPLWTC-GFCCVEGCSA-N 2 0 265.376 2.205 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181944 522138029 /nfs/dbraw/zinc/13/80/29/522138029.db2.gz ZMVRUWALXYNLCN-LLVKDONJSA-N 2 0 294.468 2.400 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[N@H+](C)[C@@H]1CCSC1 ZINC000052453324 522140078 /nfs/dbraw/zinc/14/00/78/522140078.db2.gz IQSVBLMHXFWIBC-CQSZACIVSA-N 2 0 280.437 2.222 10 0 CEAERP C[NH2+]Cc1sc(N2CCC([NH+](C)C)CC2)nc1C1CC1 ZINC000069147073 522167580 /nfs/dbraw/zinc/16/75/80/522167580.db2.gz FNUZIBXCBMBSNC-UHFFFAOYSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000053201490 522384281 /nfs/dbraw/zinc/38/42/81/522384281.db2.gz KZRFILDUPWDOKS-QGZVFWFLSA-N 2 0 287.451 2.335 10 0 CEAERP C[NH2+][C@H](C)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055078723 522439658 /nfs/dbraw/zinc/43/96/58/522439658.db2.gz ZBELGQANMGNGEB-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653643 522490038 /nfs/dbraw/zinc/49/00/38/522490038.db2.gz SYTMSAZBGLXQJM-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643677 522510476 /nfs/dbraw/zinc/51/04/76/522510476.db2.gz VZIIPNTWCZNVEU-NXHRZFHOSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083012 522543422 /nfs/dbraw/zinc/54/34/22/522543422.db2.gz UBBCHSDKWOTZSL-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000055077241 522654206 /nfs/dbraw/zinc/65/42/06/522654206.db2.gz PTYJRLKZZNMIDR-GDBMZVCRSA-N 2 0 279.428 2.332 10 0 CEAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)CCc1ccccn1 ZINC000050952486 522788596 /nfs/dbraw/zinc/78/85/96/522788596.db2.gz CKUBDPPBCZMPLA-OAHLLOKOSA-N 2 0 261.413 2.478 10 0 CEAERP COCC1CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000070080299 522936519 /nfs/dbraw/zinc/93/65/19/522936519.db2.gz IWQDNFOELGXUND-UHFFFAOYSA-N 2 0 266.360 2.143 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052572888 523618524 /nfs/dbraw/zinc/61/85/24/523618524.db2.gz KZZXCWLKWNFFCX-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP COCC[N@H+](CCCCC[NH2+]C(C)C)[C@H](C)COC ZINC000052572416 523694674 /nfs/dbraw/zinc/69/46/74/523694674.db2.gz CNNWTBSCHLVKAI-OAHLLOKOSA-N 2 0 274.449 2.138 10 0 CEAERP COCC[N@H+](Cc1ccc(C[NH2+]C(C)C)o1)[C@H](C)COC ZINC000052572333 523748508 /nfs/dbraw/zinc/74/85/08/523748508.db2.gz DBBWSZSMWAILBB-CQSZACIVSA-N 2 0 298.427 2.261 10 0 CEAERP COCC[N@H+](Cc1occc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052572321 523779305 /nfs/dbraw/zinc/77/93/05/523779305.db2.gz VYCLHAQTWVPFEB-CYBMUJFWSA-N 2 0 296.411 2.015 10 0 CEAERP COCC[N@H+]([C@@H](C)CCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572408 523780441 /nfs/dbraw/zinc/78/04/41/523780441.db2.gz YZBIHBBSDIHIQR-HOTGVXAUSA-N 2 0 288.476 2.384 10 0 CEAERP C[N@@H+]1CCCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052424266 523806213 /nfs/dbraw/zinc/80/62/13/523806213.db2.gz XYVSWVPRVRJPFL-UHFFFAOYSA-N 2 0 289.448 2.498 10 0 CEAERP C[NH+]1CCN([C@@H](C[NH3+])c2csc3ccccc23)CC1 ZINC000054463848 523916549 /nfs/dbraw/zinc/91/65/49/523916549.db2.gz COLNZIDFFGQJMC-AWEZNQCLSA-N 2 0 275.421 2.149 10 0 CEAERP C[NH+]1CCN(c2ccccc2C[NH2+]C(C)(C)C)CC1 ZINC000062734228 523926871 /nfs/dbraw/zinc/92/68/71/523926871.db2.gz JMSNZFYLJXCJSP-UHFFFAOYSA-N 2 0 261.413 2.327 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C)co1 ZINC000052547370 523939055 /nfs/dbraw/zinc/93/90/55/523939055.db2.gz NFIZADYZNAGLOQ-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065480 523954102 /nfs/dbraw/zinc/95/41/02/523954102.db2.gz BVCRINMZTUCKAD-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP CO[C@H]1CCC[C@H]1[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943858 523987270 /nfs/dbraw/zinc/98/72/70/523987270.db2.gz OWVUYRRJWXSTTG-SJORKVTESA-N 2 0 288.435 2.465 10 0 CEAERP C[NH+](C)C1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856882 524040860 /nfs/dbraw/zinc/04/08/60/524040860.db2.gz GZXUBXCNYWKPIG-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077941 524048249 /nfs/dbraw/zinc/04/82/49/524048249.db2.gz YMJNQMFJTQQUQS-HNNXBMFYSA-N 2 0 279.428 2.115 10 0 CEAERP C[NH+](C)CC1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052905629 524050352 /nfs/dbraw/zinc/05/03/52/524050352.db2.gz YTWCIEGBZFFYHA-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP C[C@H](C[NH3+])C[N@@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872135 524307085 /nfs/dbraw/zinc/30/70/85/524307085.db2.gz ZTKGHFVXDLJZSF-CYBMUJFWSA-N 2 0 297.393 2.067 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN(C)C1CC[NH+](C)CC1 ZINC000052419803 524476516 /nfs/dbraw/zinc/47/65/16/524476516.db2.gz BACQQDZKWOJJQH-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000050948294 524647889 /nfs/dbraw/zinc/64/78/89/524647889.db2.gz OATZQHNAQGNSDI-JKSUJKDBSA-N 2 0 295.471 2.147 10 0 CEAERP C[C@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061642904 524972652 /nfs/dbraw/zinc/97/26/52/524972652.db2.gz UENQWNDZJXQMDN-GBJTYRQASA-N 2 0 291.439 2.429 10 0 CEAERP COc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641934 525380751 /nfs/dbraw/zinc/38/07/51/525380751.db2.gz QXXZADYBFPODKV-UNEWFSDZSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055078988 525424104 /nfs/dbraw/zinc/42/41/04/525424104.db2.gz JFQGTSPGYONFDX-QGZVFWFLSA-N 2 0 275.440 2.268 10 0 CEAERP C[C@@H]([NH2+]CCN1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000062974168 525449333 /nfs/dbraw/zinc/44/93/33/525449333.db2.gz PDTBKSKXSNJONX-OLZOCXBDSA-N 2 0 267.442 2.035 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CC[NH+](C(C)C)CC2)ccc1F ZINC000050546102 525481137 /nfs/dbraw/zinc/48/11/37/525481137.db2.gz GIQRYPCPOLPIPI-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP Fc1ccc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764229 526352034 /nfs/dbraw/zinc/35/20/34/526352034.db2.gz FMUXOWRVNJKCAB-MRXNPFEDSA-N 2 0 291.414 2.480 10 0 CEAERP c1ccc2c(c1)C[NH+](C[C@@H]1CC[C@H](C[NH2+]C3CC3)O1)C2 ZINC000052374523 526507294 /nfs/dbraw/zinc/50/72/94/526507294.db2.gz YFUKXRXESIJFJR-SJORKVTESA-N 2 0 272.392 2.302 10 0 CEAERP Cc1oc(C[NH3+])cc1C[N@H+](C)C[C@H]1CCCCO1 ZINC000052507449 526769543 /nfs/dbraw/zinc/76/95/43/526769543.db2.gz GYWKYNLULLUOIU-CYBMUJFWSA-N 2 0 252.358 2.048 10 0 CEAERP [NH3+]C1CCC(CCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000055136264 527139459 /nfs/dbraw/zinc/13/94/59/527139459.db2.gz IOIBZIWBCIXCSR-UHFFFAOYSA-N 2 0 295.471 2.276 10 0 CEAERP [NH3+]CC[C@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055017140 527193437 /nfs/dbraw/zinc/19/34/37/527193437.db2.gz ZOZYLIRFJRTZGL-MRXNPFEDSA-N 2 0 262.397 2.313 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091391859 535478516 /nfs/dbraw/zinc/47/85/16/535478516.db2.gz FAWDLNPZYICOAS-HNNXBMFYSA-N 2 0 279.403 2.466 10 0 CEAERP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000262480967 625177583 /nfs/dbraw/zinc/17/75/83/625177583.db2.gz JZDBPJYGDGMYAN-RCBQFDQVSA-N 2 0 298.386 2.271 10 0 CEAERP CC(C)[NH2+]CC[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000725270310 539215230 /nfs/dbraw/zinc/21/52/30/539215230.db2.gz GAJPSAMEGIUVFH-JTQLQIEISA-N 2 0 260.303 2.362 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000071401027 343800711 /nfs/dbraw/zinc/80/07/11/343800711.db2.gz CKKXSOFANOKPTB-HOTGVXAUSA-N 2 0 289.423 2.067 10 0 CEAERP CCOC(=O)CCC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000083923924 178764048 /nfs/dbraw/zinc/76/40/48/178764048.db2.gz SYRBZUGIUDSCMJ-ZDUSSCGKSA-N 2 0 270.417 2.040 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000584645391 344972602 /nfs/dbraw/zinc/97/26/02/344972602.db2.gz PYGMRJTTXXNXLO-WFASDCNBSA-N 2 0 277.387 2.125 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C[C@@H]2CCC[NH2+]C2)([NH+](C)C)C1 ZINC000054308616 362526403 /nfs/dbraw/zinc/52/64/03/362526403.db2.gz LOXFKBYEMKVHND-VYDXJSESSA-N 2 0 295.471 2.003 10 0 CEAERP CN(CC[NH+]1CCCC1)CCC1([NH3+])CCCCC1 ZINC000084189028 178821524 /nfs/dbraw/zinc/82/15/24/178821524.db2.gz OEAIYTXYEUWLLS-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP CCCC1CC[NH+](CCC[C@](C)(CO)[NH2+]C)CC1 ZINC000085210929 178973690 /nfs/dbraw/zinc/97/36/90/178973690.db2.gz WNRKBKPRESAWAI-OAHLLOKOSA-N 2 0 256.434 2.249 10 0 CEAERP C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000123820895 290130424 /nfs/dbraw/zinc/13/04/24/290130424.db2.gz SMBYAGABOUNUMB-GJZGRUSLSA-N 2 0 254.418 2.098 10 0 CEAERP C[C@](O)(C[NH3+])CC[NH+]1CCC2(CCCCC2)CC1 ZINC000085302750 179011365 /nfs/dbraw/zinc/01/13/65/179011365.db2.gz BVHOREPONWCTRE-CQSZACIVSA-N 2 0 254.418 2.133 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364041 179035544 /nfs/dbraw/zinc/03/55/44/179035544.db2.gz XFTRLNGOADSYGF-HUUCEWRRSA-N 2 0 275.396 2.204 10 0 CEAERP CCCCNC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403581 179053194 /nfs/dbraw/zinc/05/31/94/179053194.db2.gz WEXJLMKAKQETHV-MRXNPFEDSA-N 2 0 295.471 2.147 10 0 CEAERP Cc1nccn1CC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610442 179100882 /nfs/dbraw/zinc/10/08/82/179100882.db2.gz UBUCLCJZEGDJSF-UHFFFAOYSA-N 2 0 276.428 2.190 10 0 CEAERP C[C@@H](Cn1c2c(nc1-c1ccccc1)C[NH2+]CC2)[NH+](C)C ZINC000085607088 179101146 /nfs/dbraw/zinc/10/11/46/179101146.db2.gz OGTLTJKLLYDMLL-ZDUSSCGKSA-N 2 0 284.407 2.146 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613135 179102348 /nfs/dbraw/zinc/10/23/48/179102348.db2.gz OTZUDEVHLRTAPW-GJZGRUSLSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@H]1C[N@H+](CCCOCC(F)(F)F)[C@@H](C)CC[NH2+]1 ZINC000085620438 179105666 /nfs/dbraw/zinc/10/56/66/179105666.db2.gz SYOMWRBOJJZKGW-QWRGUYRKSA-N 2 0 268.323 2.028 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000111487278 136562398 /nfs/dbraw/zinc/56/23/98/136562398.db2.gz SIEWMPDFHSZZIP-OAHLLOKOSA-N 2 0 261.413 2.027 10 0 CEAERP C[NH+](C)CC1CCN(c2c(F)cc(CC[NH3+])cc2F)CC1 ZINC000111483936 136562741 /nfs/dbraw/zinc/56/27/41/136562741.db2.gz ZHZJXIDIKCPIQA-UHFFFAOYSA-N 2 0 297.393 2.244 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086171834 179242939 /nfs/dbraw/zinc/24/29/39/179242939.db2.gz FWMWFIMPVJNRRW-VVLHAWIVSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H](C)[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172105 179244951 /nfs/dbraw/zinc/24/49/51/179244951.db2.gz RURXMBMRKLYMAR-VQHPVUNQSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@]1(C)CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217799 179249851 /nfs/dbraw/zinc/24/98/51/179249851.db2.gz IUNCVGYXDYFGCG-JKSUJKDBSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223929 179253670 /nfs/dbraw/zinc/25/36/70/179253670.db2.gz RKFLLCXJWZUYFO-ZACQAIPSSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259327 179257809 /nfs/dbraw/zinc/25/78/09/179257809.db2.gz LYEBKUSILAMSFB-GJZGRUSLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259627 179257834 /nfs/dbraw/zinc/25/78/34/179257834.db2.gz GMIXWBXCYXNFQK-BMFZPTHFSA-N 2 0 265.445 2.076 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259339 179258181 /nfs/dbraw/zinc/25/81/81/179258181.db2.gz RZVUWVANHKMODE-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259359 179258494 /nfs/dbraw/zinc/25/84/94/179258494.db2.gz FQCVELWVUCJEQU-ILXRZTDVSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261061 179259870 /nfs/dbraw/zinc/25/98/70/179259870.db2.gz LDCLFJYJWFZDJN-HOTGVXAUSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1CCCC[NH+](C)C ZINC000086261080 179260463 /nfs/dbraw/zinc/26/04/63/179260463.db2.gz XVEIEQMMYQTHJD-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086397616 179285429 /nfs/dbraw/zinc/28/54/29/179285429.db2.gz OCYGAOSEJBBAER-NEPJUHHUSA-N 2 0 269.186 2.419 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NC1=[NH+]C[C@H](C)CS1 ZINC000086632832 179314814 /nfs/dbraw/zinc/31/48/14/179314814.db2.gz GAGFGXSZUBVBMV-RYUDHWBXSA-N 2 0 255.431 2.189 10 0 CEAERP CC(C)[NH+](CCN[C@@H]1CCC[N@H+](C)CC1)C(C)C ZINC000086817015 179345049 /nfs/dbraw/zinc/34/50/49/179345049.db2.gz GDJIKULTERFXOI-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CCC1CCN([C@]2(C[NH3+])CCC[N@H+](CC)CC2)CC1 ZINC000086847573 179356132 /nfs/dbraw/zinc/35/61/32/179356132.db2.gz NHXWQEVBBZGNOE-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCCN(CC1CC1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847867 179356407 /nfs/dbraw/zinc/35/64/07/179356407.db2.gz BEJBAPRSBJFLKT-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847118 179356546 /nfs/dbraw/zinc/35/65/46/179356546.db2.gz SBILAJYUYUTPSB-QGZVFWFLSA-N 2 0 290.455 2.107 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836005 179349837 /nfs/dbraw/zinc/34/98/37/179349837.db2.gz JXGPJNKEBRHLNE-MRXNPFEDSA-N 2 0 289.423 2.010 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846267 179355671 /nfs/dbraw/zinc/35/56/71/179355671.db2.gz JXRLUIQJOSCCKV-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000086891025 179366551 /nfs/dbraw/zinc/36/65/51/179366551.db2.gz CIWGJSGYWVMRLM-RDJZCZTQSA-N 2 0 279.472 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920913 179367756 /nfs/dbraw/zinc/36/77/56/179367756.db2.gz IUMIFPZCPYTOBG-HUUCEWRRSA-N 2 0 254.418 2.003 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014774 179379923 /nfs/dbraw/zinc/37/99/23/179379923.db2.gz KFPQUVUFJWWLDM-KGLIPLIRSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087048528 179388230 /nfs/dbraw/zinc/38/82/30/179388230.db2.gz VRHPXDFCKOEKME-GDBMZVCRSA-N 2 0 268.445 2.392 10 0 CEAERP C[N@@H+]1CCC[C@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045998 179388306 /nfs/dbraw/zinc/38/83/06/179388306.db2.gz LRFLZHDRVDMZPP-CQSZACIVSA-N 2 0 268.445 2.249 10 0 CEAERP CCC1CCC(O)(C[NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000087052973 179388970 /nfs/dbraw/zinc/38/89/70/179388970.db2.gz OFZSDTTWDJYZPR-HWOWSKLDSA-N 2 0 268.445 2.249 10 0 CEAERP Nc1cc[nH+]cc1C[C@@H]([NH3+])CSC1CCCC1 ZINC000087144232 179397507 /nfs/dbraw/zinc/39/75/07/179397507.db2.gz LLYSTUFISMNZLM-LLVKDONJSA-N 2 0 251.399 2.209 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000104204161 185929660 /nfs/dbraw/zinc/92/96/60/185929660.db2.gz XJHAAAYIRWCZAD-IUODEOHRSA-N 2 0 267.392 2.098 10 0 CEAERP CCn1nc(C)cc1C[N@H+](CCC[NH3+])C1CCCC1 ZINC000089181647 179745015 /nfs/dbraw/zinc/74/50/15/179745015.db2.gz MGEVPJPLOWNBOV-UHFFFAOYSA-N 2 0 264.417 2.305 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089390728 179778960 /nfs/dbraw/zinc/77/89/60/179778960.db2.gz QJSICJHCGJWNJF-ZFWWWQNUSA-N 2 0 295.471 2.131 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089401940 179781821 /nfs/dbraw/zinc/78/18/21/179781821.db2.gz OZNBZSRZBFHDOB-KGLIPLIRSA-N 2 0 254.418 2.252 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CCCCN1CC[NH+]1CCCC1 ZINC000104407679 185991176 /nfs/dbraw/zinc/99/11/76/185991176.db2.gz ZDPYFTMGVCCBOP-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC000090566078 180005374 /nfs/dbraw/zinc/00/53/74/180005374.db2.gz VAHJOHBGKIIGNW-IAGOWNOFSA-N 2 0 276.424 2.441 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000090566017 180005853 /nfs/dbraw/zinc/00/58/53/180005853.db2.gz BEWSHMPTOUAMMA-IRXDYDNUSA-N 2 0 274.408 2.059 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CC(C)C)C1CC1 ZINC000090566540 180005928 /nfs/dbraw/zinc/00/59/28/180005928.db2.gz KKLPARBRTHKVPW-DZGCQCFKSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CC1CC1)C(C)C ZINC000090566556 180006921 /nfs/dbraw/zinc/00/69/21/180006921.db2.gz XOYCGEQBOMTKML-LSDHHAIUSA-N 2 0 254.418 2.121 10 0 CEAERP CC(C)C[N@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2O1 ZINC000090875222 180050947 /nfs/dbraw/zinc/05/09/47/180050947.db2.gz KTHZEWWBEOXTPI-AWEZNQCLSA-N 2 0 275.396 2.274 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878338 180052083 /nfs/dbraw/zinc/05/20/83/180052083.db2.gz NWMRJCNIXYBCRM-COXVUDFISA-N 2 0 286.419 2.453 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879148 180052716 /nfs/dbraw/zinc/05/27/16/180052716.db2.gz CMSOWOUUZAVVBO-AWEZNQCLSA-N 2 0 266.360 2.190 10 0 CEAERP C[C@@H](C[NH2+]C[C@@H]1Cc2cc(F)ccc2O1)C[NH+]1CCCC1 ZINC000090892749 180054684 /nfs/dbraw/zinc/05/46/84/180054684.db2.gz HDKCAZUBYQSROR-BBRMVZONSA-N 2 0 292.398 2.451 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1Cc2cc(F)ccc2O1 ZINC000090896642 180057017 /nfs/dbraw/zinc/05/70/17/180057017.db2.gz WJHLOEPSVUSKKG-MRXNPFEDSA-N 2 0 292.398 2.451 10 0 CEAERP [NH3+]Cc1nc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)cs1 ZINC000090932273 180066214 /nfs/dbraw/zinc/06/62/14/180066214.db2.gz QBNIBDBZUONASP-QWHCGFSZSA-N 2 0 259.378 2.248 10 0 CEAERP CCC[NH+]1CCC([NH2+]Cc2sccc2N)CC1 ZINC000090959243 180075745 /nfs/dbraw/zinc/07/57/45/180075745.db2.gz HBGKWSBJRQIQSR-UHFFFAOYSA-N 2 0 253.415 2.294 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978330 180079019 /nfs/dbraw/zinc/07/90/19/180079019.db2.gz ZPELIQXKBCVRQB-XOSAIJSUSA-N 2 0 256.393 2.256 10 0 CEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019761 180087713 /nfs/dbraw/zinc/08/77/13/180087713.db2.gz AIXBXWJPZJSOMR-RYUDHWBXSA-N 2 0 258.369 2.122 10 0 CEAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019736 180088099 /nfs/dbraw/zinc/08/80/99/180088099.db2.gz DUTBIGTUQHOLAZ-NEPJUHHUSA-N 2 0 258.369 2.122 10 0 CEAERP C[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC000091313754 180132957 /nfs/dbraw/zinc/13/29/57/180132957.db2.gz KPVJVCUWSARXQT-AWEZNQCLSA-N 2 0 268.788 2.150 10 0 CEAERP [NH3+]C[C@@H]1CCCC[N@H+](C2CC2)[C@@H]1c1cncn1C1CC1 ZINC000091275508 180118881 /nfs/dbraw/zinc/11/88/81/180118881.db2.gz FUNHCKNBVALKTO-LRDDRELGSA-N 2 0 274.412 2.482 10 0 CEAERP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C(C)C ZINC000091430348 180152919 /nfs/dbraw/zinc/15/29/19/180152919.db2.gz ADRPBGZYIGKKIW-CYBMUJFWSA-N 2 0 296.484 2.480 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C ZINC000091430349 180153028 /nfs/dbraw/zinc/15/30/28/180153028.db2.gz GCSRRGWCSSBLJK-ZDUSSCGKSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091430852 180153599 /nfs/dbraw/zinc/15/35/99/180153599.db2.gz MZCYQZDWQCKYSO-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[NH2+]Cc1cncc(OC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000091435565 180154092 /nfs/dbraw/zinc/15/40/92/180154092.db2.gz CWCXFQRZEKHXMW-HNNXBMFYSA-N 2 0 292.427 2.085 10 0 CEAERP CCCCCC[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393328 180145622 /nfs/dbraw/zinc/14/56/22/180145622.db2.gz FPBDSVQBBUEALT-CABCVRRESA-N 2 0 255.450 2.310 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393299 180145712 /nfs/dbraw/zinc/14/57/12/180145712.db2.gz SZOVTYLJEDRXQW-YDHLFZDLSA-N 2 0 265.401 2.084 10 0 CEAERP CCOc1ccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393341 180145748 /nfs/dbraw/zinc/14/57/48/180145748.db2.gz PPPLHFONZPTANW-DOTOQJQBSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393938 180145775 /nfs/dbraw/zinc/14/57/75/180145775.db2.gz PVWPYVGTGXAJKJ-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393301 180145783 /nfs/dbraw/zinc/14/57/83/180145783.db2.gz SZOVTYLJEDRXQW-KCQAQPDRSA-N 2 0 265.401 2.084 10 0 CEAERP CCOc1ccccc1[C@@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395768 180146244 /nfs/dbraw/zinc/14/62/44/180146244.db2.gz UBFTYXIPPARBMQ-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CCC2([NH3+])CCCCC2)C1 ZINC000091395623 180146594 /nfs/dbraw/zinc/14/65/94/180146594.db2.gz HWKPWZWSWNKRPJ-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091394715 180146627 /nfs/dbraw/zinc/14/66/27/180146627.db2.gz RNIXCFJIYAOLAA-FXUDXRNXSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCN(CC(C)(C)[C@H](C)[NH2+]CC)CC1 ZINC000091402264 180147101 /nfs/dbraw/zinc/14/71/01/180147101.db2.gz CQEDKNBQWXVRRJ-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 ZINC000091565066 180193166 /nfs/dbraw/zinc/19/31/66/180193166.db2.gz JJGBKAJBVMOMBW-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)C(CC)(CC)[C@@H](N)Cc1c[nH+]ccc1N ZINC000091615842 180208119 /nfs/dbraw/zinc/20/81/19/180208119.db2.gz BEVLDPMROCANPI-HNNXBMFYSA-N 2 0 278.444 2.434 10 0 CEAERP CC[NH2+][C@@H](C1CCOCC1)C(C)(C)[NH+]1CCCC1 ZINC000091535082 180181927 /nfs/dbraw/zinc/18/19/27/180181927.db2.gz CBNQEVGAFHLPPI-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)C1([C@@H](O)Cc2c[nH+]ccc2N)CCCC1 ZINC000091638859 180212480 /nfs/dbraw/zinc/21/24/80/180212480.db2.gz BYZHDLNRJDJCRY-HNNXBMFYSA-N 2 0 277.412 2.222 10 0 CEAERP C[NH2+][C@@H]([C@@H]1CCOC1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649068 180216055 /nfs/dbraw/zinc/21/60/55/180216055.db2.gz RSTSJVZPHMQQAS-FUUBYGMNSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH2+][C@H](CC[NH+](CC)CC)Cc1cc(C)nn1CC ZINC000091716559 180232182 /nfs/dbraw/zinc/23/21/82/180232182.db2.gz DSGREJFHJMSYMZ-OAHLLOKOSA-N 2 0 280.460 2.464 10 0 CEAERP CC1CCC([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720771 180235955 /nfs/dbraw/zinc/23/59/55/180235955.db2.gz VABSKJUTVJNLQA-ODGNXRKOSA-N 2 0 252.402 2.003 10 0 CEAERP CCC[N@H+](CC(=O)N1CCCC[C@H]1C)C1CCC([NH3+])CC1 ZINC000091852388 180272838 /nfs/dbraw/zinc/27/28/38/180272838.db2.gz GZHSKWMACSCCHW-QQFBHYJXSA-N 2 0 295.471 2.369 10 0 CEAERP CCC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1CCC([NH3+])CC1 ZINC000091852449 180272903 /nfs/dbraw/zinc/27/29/03/180272903.db2.gz VNRCCISXOIBRAI-NFOMZHRRSA-N 2 0 283.460 2.129 10 0 CEAERP CCOc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1O ZINC000091844086 180268986 /nfs/dbraw/zinc/26/89/86/180268986.db2.gz CYYKMUIGGVRZES-UHFFFAOYSA-N 2 0 278.396 2.493 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091843987 180269181 /nfs/dbraw/zinc/26/91/81/180269181.db2.gz HLAUBBTYEVOUHD-LMWSTFAQSA-N 2 0 264.417 2.300 10 0 CEAERP Cc1ccc(NC(=O)C[N@@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000091846830 180269944 /nfs/dbraw/zinc/26/99/44/180269944.db2.gz VLXDLBGPQMSULQ-UHFFFAOYSA-N 2 0 275.396 2.135 10 0 CEAERP CC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CCC([NH3+])CC1 ZINC000091850826 180272089 /nfs/dbraw/zinc/27/20/89/180272089.db2.gz ZBLJONGVXFZPLM-UHFFFAOYSA-N 2 0 293.386 2.016 10 0 CEAERP CC[N@H+](C[C@@H]1COC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000091851013 180272100 /nfs/dbraw/zinc/27/21/00/180272100.db2.gz OSZWFECIQJQWCE-YMAMQOFZSA-N 2 0 282.428 2.264 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H]2COc3cc(O)ccc32)CC1 ZINC000091870944 180276953 /nfs/dbraw/zinc/27/69/53/180276953.db2.gz UYGWCGPPTWUGOF-KOHJWAIASA-N 2 0 276.380 2.288 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871313 180277106 /nfs/dbraw/zinc/27/71/06/180277106.db2.gz BLOHUBINEJNSMM-HWOWSKLDSA-N 3 0 267.461 2.323 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2csc(C)n2)CC1 ZINC000091870948 180277323 /nfs/dbraw/zinc/27/73/23/180277323.db2.gz KCHISHOTPKAQJJ-UHFFFAOYSA-N 2 0 253.415 2.414 10 0 CEAERP CC1(C)CCC(C[NH3+])([C@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907233 180283861 /nfs/dbraw/zinc/28/38/61/180283861.db2.gz RSINCMVQNHDDPW-INIZCTEOSA-N 2 0 266.429 2.131 10 0 CEAERP CC[NH2+]Cc1cn(C[C@@H]2C[N@H+](C)CCO2)c2ccccc12 ZINC000092060175 180315060 /nfs/dbraw/zinc/31/50/60/180315060.db2.gz GDMFYCOTVDJBTC-HNNXBMFYSA-N 2 0 287.407 2.081 10 0 CEAERP CC(C)[NH2+]CC1(C[NH+]2C[C@@H](C)[C@H](C)C2)CCOCC1 ZINC000092088681 180321087 /nfs/dbraw/zinc/32/10/87/180321087.db2.gz IWAZNXZOBGRNJF-HUUCEWRRSA-N 2 0 268.445 2.369 10 0 CEAERP C[C@@H](C[N@H+](C)CCSc1ccccc1)C(N)=[NH2+] ZINC000092262300 180354401 /nfs/dbraw/zinc/35/44/01/180354401.db2.gz NKRSDYKGQQSYBS-NSHDSACASA-N 2 0 251.399 2.283 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298044 180358650 /nfs/dbraw/zinc/35/86/50/180358650.db2.gz IRDCQBUUZHVHLU-DZGCQCFKSA-N 2 0 274.408 2.483 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[C@H]([NH+](C)C)C2)nc1CC ZINC000110275377 186289331 /nfs/dbraw/zinc/28/93/31/186289331.db2.gz AVCTXTJDTMHXTP-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CCCC[C@H]([NH3+])CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110371188 186294125 /nfs/dbraw/zinc/29/41/25/186294125.db2.gz QMCYMLJWZNCUCY-GJZGRUSLSA-N 2 0 253.434 2.064 10 0 CEAERP CCCN(C1CC[NH+](CCC)CC1)[C@H]1CCC[NH2+]C1 ZINC000110937840 186334749 /nfs/dbraw/zinc/33/47/49/186334749.db2.gz OECFVKHJMQQGCD-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)c(F)c2)CC1 ZINC000110976898 186338597 /nfs/dbraw/zinc/33/85/97/186338597.db2.gz SDRXDYQEPWJUBQ-INIZCTEOSA-N 2 0 279.403 2.162 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000110977906 186339557 /nfs/dbraw/zinc/33/95/57/186339557.db2.gz KZZOIVDYJWLLHG-NVXWUHKLSA-N 2 0 291.414 2.304 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705200 186313714 /nfs/dbraw/zinc/31/37/14/186313714.db2.gz YQDXANILDQAXLV-DOMZBBRYSA-N 2 0 279.403 2.240 10 0 CEAERP CC[NH2+][C@H](C)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110717070 186315714 /nfs/dbraw/zinc/31/57/14/186315714.db2.gz CKJCTASMAQRUQQ-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110711872 186315930 /nfs/dbraw/zinc/31/59/30/186315930.db2.gz VEFYOWMIGCXNSZ-HZSPNIEDSA-N 2 0 291.439 2.429 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711722 186316659 /nfs/dbraw/zinc/31/66/59/186316659.db2.gz RBOHHCFPSABDNI-INIZCTEOSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+][C@@H](CCN1CC[N@H+](C)[C@@H](C)C1)c1ccccc1F ZINC000110744317 186318613 /nfs/dbraw/zinc/31/86/13/186318613.db2.gz OMNDTWLSUSADIH-BBRMVZONSA-N 2 0 279.403 2.112 10 0 CEAERP C[C@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@@H+]1C ZINC000110751284 186321104 /nfs/dbraw/zinc/32/11/04/186321104.db2.gz ITXUMSYPIWCJGF-AWEZNQCLSA-N 2 0 273.424 2.075 10 0 CEAERP CC[N@@H+]1CCN(c2ncc(C[NH2+]CC(C)C)s2)C[C@@H]1C ZINC000110758520 186321159 /nfs/dbraw/zinc/32/11/59/186321159.db2.gz LGKWCVALTOBFFC-ZDUSSCGKSA-N 2 0 296.484 2.419 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[N@H+](C)C(C)(C)C2)c(C)o1 ZINC000110755424 186321249 /nfs/dbraw/zinc/32/12/49/186321249.db2.gz UNITXWKANSSDMP-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CC[N@@H+]1CCN(Cc2occc2C[NH2+]C(C)C)C[C@@H]1C ZINC000110752674 186321345 /nfs/dbraw/zinc/32/13/45/186321345.db2.gz WAGBAMQSPHFUNL-AWEZNQCLSA-N 2 0 279.428 2.304 10 0 CEAERP C[C@@H]1CN(Cc2ccoc2C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110752300 186321833 /nfs/dbraw/zinc/32/18/33/186321833.db2.gz OBQZCUORBPJXOX-CYBMUJFWSA-N 2 0 279.428 2.304 10 0 CEAERP CCOC(CC[N@H+](C)CC1CC[NH+](C)CC1)OCC ZINC000110786108 186324330 /nfs/dbraw/zinc/32/43/30/186324330.db2.gz LKFYXRHWCZBGSA-UHFFFAOYSA-N 2 0 272.433 2.049 10 0 CEAERP CC(C)[NH2+]Cc1ccc(OCCN(C)CC[NH+](C)C)cc1 ZINC000111149593 186360986 /nfs/dbraw/zinc/36/09/86/186360986.db2.gz WMDITAKKCOZGLH-UHFFFAOYSA-N 2 0 293.455 2.057 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)CCC[NH+](C)C ZINC000111151109 186361298 /nfs/dbraw/zinc/36/12/98/186361298.db2.gz XDMQFTLFQVOQTD-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CCOCC[N@H+](CC)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111123151 186355065 /nfs/dbraw/zinc/35/50/65/186355065.db2.gz ZTERCGYKPWHPCR-MRXNPFEDSA-N 2 0 286.460 2.140 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC[NH+](C)C ZINC000111129696 186355931 /nfs/dbraw/zinc/35/59/31/186355931.db2.gz IGXCMAVIJRQSCT-CABCVRRESA-N 2 0 267.392 2.098 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(Cl)cc1C[NH3+] ZINC000111129272 186356285 /nfs/dbraw/zinc/35/62/85/186356285.db2.gz BMCVTVDKYFZUNT-UHFFFAOYSA-N 2 0 255.793 2.187 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000111132546 186356650 /nfs/dbraw/zinc/35/66/50/186356650.db2.gz UGMMOOBGKYZNNE-KRWDZBQOSA-N 2 0 271.408 2.333 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133615 186356668 /nfs/dbraw/zinc/35/66/68/186356668.db2.gz OVODXBNUFSZEOM-GDBMZVCRSA-N 2 0 263.429 2.001 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131491 186356711 /nfs/dbraw/zinc/35/67/11/186356711.db2.gz LTXIZZAVXRLXKA-IUODEOHRSA-N 2 0 267.392 2.098 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N(C)CC[NH+](C)C ZINC000111134235 186356798 /nfs/dbraw/zinc/35/67/98/186356798.db2.gz MSUKMPGXKMOULC-DLBZAZTESA-N 2 0 277.456 2.465 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)CC[NH+](C)C ZINC000111134619 186357132 /nfs/dbraw/zinc/35/71/32/186357132.db2.gz JBARFBNHAHLFNR-ZNMIVQPWSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1c(C)cc(C)cc1C ZINC000111134250 186357138 /nfs/dbraw/zinc/35/71/38/186357138.db2.gz YDQMZAXYTBVZKH-INIZCTEOSA-N 2 0 277.456 2.366 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)CCC[NH+](C)C)C1 ZINC000111136578 186357415 /nfs/dbraw/zinc/35/74/15/186357415.db2.gz LQCVYMMEAWBUQR-QLFBSQMISA-N 2 0 255.450 2.037 10 0 CEAERP CCc1ccc([C@@H]([NH3+])[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134380 186357766 /nfs/dbraw/zinc/35/77/66/186357766.db2.gz DZBYADCNJGHOFX-BBRMVZONSA-N 2 0 263.429 2.131 10 0 CEAERP CN(CC[NH+](C)C)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000111140307 186357946 /nfs/dbraw/zinc/35/79/46/186357946.db2.gz YBGPLPARJZCWOR-UHFFFAOYSA-N 2 0 265.376 2.076 10 0 CEAERP CC[NH2+]Cc1nc(C(C)C)ncc1N(C)CCC[NH+](C)C ZINC000111149459 186358427 /nfs/dbraw/zinc/35/84/27/186358427.db2.gz ONEGVPONWUCJHR-UHFFFAOYSA-N 2 0 293.459 2.097 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)N(C)CC1CCOCC1 ZINC000111175616 186365017 /nfs/dbraw/zinc/36/50/17/186365017.db2.gz ITUXHXZZTOGIMT-HNNXBMFYSA-N 2 0 254.418 2.121 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N(C)CC[NH+]2CCCC2)cc1 ZINC000111499779 186424968 /nfs/dbraw/zinc/42/49/68/186424968.db2.gz AMOCBVKEKXXZCN-CQSZACIVSA-N 2 0 261.413 2.108 10 0 CEAERP C[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000070145011 363037240 /nfs/dbraw/zinc/03/72/40/363037240.db2.gz ITENVVWXTWJWCX-QAPCUYQASA-N 2 0 287.451 2.320 10 0 CEAERP CC[C@@H]1CN(c2nc3ccccc3[nH]2)CC[N@@H+]1CCOC ZINC000134949516 366377815 /nfs/dbraw/zinc/37/78/15/366377815.db2.gz WTUASFWWPZQHII-CYBMUJFWSA-N 2 0 288.395 2.110 10 0 CEAERP CSc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000631843008 540316748 /nfs/dbraw/zinc/31/67/48/540316748.db2.gz IHMMANHCVZSRMM-YPMHNXCESA-N 2 0 250.411 2.435 10 0 CEAERP CC(C)[NH+](CCN[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000578062606 366436983 /nfs/dbraw/zinc/43/69/83/366436983.db2.gz ADQPLBWDYMJZRL-CABCVRRESA-N 2 0 255.450 2.083 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136200342 366502914 /nfs/dbraw/zinc/50/29/14/366502914.db2.gz FFGCVVDAGYUDFG-KRWDZBQOSA-N 2 0 295.471 2.099 10 0 CEAERP O[C@@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000312462476 540460048 /nfs/dbraw/zinc/46/00/48/540460048.db2.gz FLGXQQZILUDIDF-IAGOWNOFSA-N 2 0 280.456 2.345 10 0 CEAERP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000177034737 189022701 /nfs/dbraw/zinc/02/27/01/189022701.db2.gz RNTIWNVYXKESSP-CQSZACIVSA-N 2 0 285.395 2.058 10 0 CEAERP CC[NH2+][C@H](CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091393 364337373 /nfs/dbraw/zinc/33/73/73/364337373.db2.gz BEJKLPBYVVOBGV-IAGOWNOFSA-N 2 0 276.424 2.259 10 0 CEAERP c1ccc(COC2CC([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000583928749 367115938 /nfs/dbraw/zinc/11/59/38/367115938.db2.gz HWWQNKJAZANYKC-KLAILNCOSA-N 2 0 274.408 2.466 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000245428801 370818444 /nfs/dbraw/zinc/81/84/44/370818444.db2.gz JMLLLDRTXNURDW-LVQVYYBASA-N 2 0 295.471 2.190 10 0 CEAERP C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631843130 367586337 /nfs/dbraw/zinc/58/63/37/367586337.db2.gz JNZPMSNPASYRFN-RYUDHWBXSA-N 2 0 268.788 2.245 10 0 CEAERP C[C@H]1C[N@H+](Cc2cnc3ccccc3c2)C[C@@H]1C[NH3+] ZINC000631837636 367576990 /nfs/dbraw/zinc/57/69/90/367576990.db2.gz VISJGSYZZWGELQ-WFASDCNBSA-N 2 0 255.365 2.261 10 0 CEAERP CN(CC[NH+](C)C1CC1)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000187565450 369179601 /nfs/dbraw/zinc/17/96/01/369179601.db2.gz LOBWHQXCSVGJPP-UHFFFAOYSA-N 2 0 293.430 2.284 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@H]12 ZINC000261857973 371753467 /nfs/dbraw/zinc/75/34/67/371753467.db2.gz XOOCAYBPABTXKP-BYCMXARLSA-N 2 0 292.810 2.444 10 0 CEAERP C[C@H]1CN(Cc2ccccc2OCC2CC2)C[C@@H]1[NH3+] ZINC000262008062 371796889 /nfs/dbraw/zinc/79/68/89/371796889.db2.gz MBZVZABWUSOAFG-WFASDCNBSA-N 2 0 260.381 2.254 10 0 CEAERP Cc1cnccc1OC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262005187 371797632 /nfs/dbraw/zinc/79/76/32/371797632.db2.gz UNHGUFLPYOPFPL-HNNXBMFYSA-N 2 0 289.423 2.233 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618825 375153891 /nfs/dbraw/zinc/15/38/91/375153891.db2.gz AQXXASLAFGHKIR-SFHVURJKSA-N 2 0 287.451 2.383 10 0 CEAERP CC(C)[NH+]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000177256305 542245024 /nfs/dbraw/zinc/24/50/24/542245024.db2.gz OTHQIJGOGXZQIZ-UHFFFAOYSA-N 2 0 293.430 2.284 10 0 CEAERP CC[C@@H]1CCC[C@@]2(C[NH+]=C(N)N2CC[NH+](CC)CC)C1 ZINC000093382146 184669984 /nfs/dbraw/zinc/66/99/84/184669984.db2.gz WGFIDLUIRKILFV-ZBFHGGJFSA-N 2 0 280.460 2.298 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2cccc(F)c2C(N)=[NH2+])C1 ZINC000093408942 184671550 /nfs/dbraw/zinc/67/15/50/184671550.db2.gz CLZMKZWFTWZRGQ-NSHDSACASA-N 2 0 278.375 2.030 10 0 CEAERP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCCCCCC1 ZINC000093582540 184692573 /nfs/dbraw/zinc/69/25/73/184692573.db2.gz ZAQNQPMOULFQEG-DOTOQJQBSA-N 2 0 295.471 2.276 10 0 CEAERP C[NH+](C)C(C)(C)COc1ccc(Cl)cc1C(N)=[NH2+] ZINC000093955177 184745664 /nfs/dbraw/zinc/74/56/64/184745664.db2.gz NYSKJWVXYJGKTC-UHFFFAOYSA-N 2 0 269.776 2.343 10 0 CEAERP CN(C)[C@H](C[NH2+]C1CCC([NH3+])CC1)c1cccs1 ZINC000094075231 184753983 /nfs/dbraw/zinc/75/39/83/184753983.db2.gz SKHOZFWLKIIITP-WXRRBKDZSA-N 2 0 267.442 2.210 10 0 CEAERP C[NH2+][C@H]1[C@H](N(C)CC[NH+]2CCCC2)CCCC1(C)C ZINC000094275590 184774255 /nfs/dbraw/zinc/77/42/55/184774255.db2.gz ZSEHTZWCPIJHFV-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC1(C)CCC[C@@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000094309633 184778299 /nfs/dbraw/zinc/77/82/99/184778299.db2.gz STLJUTGAJYCZLX-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCC(C)(C)C2=O)CC1 ZINC000094315307 184779163 /nfs/dbraw/zinc/77/91/63/184779163.db2.gz OFGIMKASWJDEDC-CQSZACIVSA-N 2 0 266.429 2.265 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC1([NH3+])CCCCC1 ZINC000094462076 184805120 /nfs/dbraw/zinc/80/51/20/184805120.db2.gz HZXIOCMSEXKYJZ-HUUCEWRRSA-N 2 0 265.445 2.207 10 0 CEAERP CC(C)C[N@H+](CC1(O)CC[NH2+]CC1)C1CCCC1 ZINC000094848887 184879868 /nfs/dbraw/zinc/87/98/68/184879868.db2.gz MPFZNZHCCQRNIZ-UHFFFAOYSA-N 2 0 254.418 2.002 10 0 CEAERP C[NH+](C)CC1CCN([C@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489380 184809366 /nfs/dbraw/zinc/80/93/66/184809366.db2.gz OGLUQHKJZWKYGJ-MRXNPFEDSA-N 2 0 299.528 2.121 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000071630683 134486785 /nfs/dbraw/zinc/48/67/85/134486785.db2.gz MULCKIOCZVIZOM-DZGCQCFKSA-N 2 0 279.815 2.342 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000089482679 135059285 /nfs/dbraw/zinc/05/92/85/135059285.db2.gz SUBDKSBNRGXPSY-SJORKVTESA-N 2 0 287.451 2.492 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000091546084 135072082 /nfs/dbraw/zinc/07/20/82/135072082.db2.gz ZYCIYVVCGVYLKR-HOTGVXAUSA-N 2 0 273.424 2.244 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H](C)[C@H](C)C[NH3+])CC2)c1 ZINC000093068443 135078850 /nfs/dbraw/zinc/07/88/50/135078850.db2.gz CTBUUNSOYBLPKT-CABCVRRESA-N 2 0 261.413 2.100 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000093224240 135079572 /nfs/dbraw/zinc/07/95/72/135079572.db2.gz KGAGJHPHXVMYLS-ZFWWWQNUSA-N 2 0 279.815 2.342 10 0 CEAERP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000258932605 394599323 /nfs/dbraw/zinc/59/93/23/394599323.db2.gz POHNVVANZPMKIS-NSHDSACASA-N 2 0 299.212 2.157 10 0 CEAERP CC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119106951 394763730 /nfs/dbraw/zinc/76/37/30/394763730.db2.gz RIYMBXMIWBPCFY-FMKPAKJESA-N 2 0 268.445 2.390 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362600 171161532 /nfs/dbraw/zinc/16/15/32/171161532.db2.gz KDSKRFCOCUSBGB-MRXNPFEDSA-N 2 0 293.480 2.436 10 0 CEAERP [NH3+]CC[C@H](COc1ccc(F)cc1)[NH+]1CCCC1 ZINC000020401981 171182183 /nfs/dbraw/zinc/18/21/83/171182183.db2.gz BTKCEDDDSUEFOG-CYBMUJFWSA-N 2 0 252.333 2.018 10 0 CEAERP [NH3+]CC[C@@H](COc1ccccc1F)[NH+]1CCCCC1 ZINC000020402228 171182359 /nfs/dbraw/zinc/18/23/59/171182359.db2.gz ZTSXKZXLXCZEQT-ZDUSSCGKSA-N 2 0 266.360 2.408 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000022153141 171360083 /nfs/dbraw/zinc/36/00/83/171360083.db2.gz NTTPRJIGCKIAOX-ZDUSSCGKSA-N 2 0 275.396 2.348 10 0 CEAERP CC(C)[N@H+](C)CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022174609 171369901 /nfs/dbraw/zinc/36/99/01/171369901.db2.gz QDLCLKPBUYQFED-UHFFFAOYSA-N 2 0 263.385 2.204 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000023071688 171411783 /nfs/dbraw/zinc/41/17/83/171411783.db2.gz PIIFXXMAQCPWFX-ILXRZTDVSA-N 2 0 267.461 2.166 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(C)C[C@H](C)CC)CC1 ZINC000037172711 173006458 /nfs/dbraw/zinc/00/64/58/173006458.db2.gz MXLKYUPPEDCIFX-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000038013984 173985249 /nfs/dbraw/zinc/98/52/49/173985249.db2.gz OFYVBTFKAGUFEY-UONOGXRCSA-N 2 0 283.460 2.001 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H]2CCCOC2)CC1 ZINC000038044635 174052786 /nfs/dbraw/zinc/05/27/86/174052786.db2.gz OANGKMILYDGUHB-UONOGXRCSA-N 2 0 254.418 2.123 10 0 CEAERP CC[N@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748441 174393282 /nfs/dbraw/zinc/39/32/82/174393282.db2.gz SDKGCVSLTSNEED-XYPWUTKMSA-N 2 0 259.397 2.229 10 0 CEAERP Cc1nc(CN[C@H](C[NH+](C)C)c2ccccc2)[nH]c1C ZINC000657298921 414842157 /nfs/dbraw/zinc/84/21/57/414842157.db2.gz YDDIXSWVNVAXCD-OAHLLOKOSA-N 2 0 272.396 2.419 10 0 CEAERP COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC([NH+](C)C)CC2)cc1 ZINC000042961150 174926471 /nfs/dbraw/zinc/92/64/71/174926471.db2.gz QVMYQEAWJJDDHN-CXAGYDPISA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H]([NH3+])[C@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000043377993 175030475 /nfs/dbraw/zinc/03/04/75/175030475.db2.gz BQAUKTHDZRALQW-YPMHNXCESA-N 2 0 293.377 2.215 10 0 CEAERP C[C@@H]([NH3+])[C@@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000043377997 175030517 /nfs/dbraw/zinc/03/05/17/175030517.db2.gz BQAUKTHDZRALQW-DGCLKSJQSA-N 2 0 293.377 2.215 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC1 ZINC000043393884 175034773 /nfs/dbraw/zinc/03/47/73/175034773.db2.gz OTDDZWOVUDXOQE-KRWDZBQOSA-N 2 0 275.440 2.331 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043810874 175110274 /nfs/dbraw/zinc/11/02/74/175110274.db2.gz CROFWRQMJFEZHJ-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815444 175112553 /nfs/dbraw/zinc/11/25/53/175112553.db2.gz IJFBJYOIKLNREI-ZFWWWQNUSA-N 2 0 255.450 2.179 10 0 CEAERP CCc1ccc([C@@H](CN2CCC[N@H+](C)CC2)[NH2+]C)cc1 ZINC000043818219 175112914 /nfs/dbraw/zinc/11/29/14/175112914.db2.gz MQIKXGIMPCYMAP-QGZVFWFLSA-N 2 0 275.440 2.147 10 0 CEAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903808 175122669 /nfs/dbraw/zinc/12/26/69/175122669.db2.gz HBSDFTPGKDHSLH-RRFJBIMHSA-N 2 0 282.428 2.135 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967574 175128447 /nfs/dbraw/zinc/12/84/47/175128447.db2.gz QBTUOGWYLUXUFU-YJBOKZPZSA-N 2 0 287.451 2.424 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967853 175129149 /nfs/dbraw/zinc/12/91/49/175129149.db2.gz DYSRLXXKKWSVDD-DLBZAZTESA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000043968007 175129228 /nfs/dbraw/zinc/12/92/28/175129228.db2.gz HHVJYKACMUUOAO-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)C1(C[NH3+])CCCCCC1 ZINC000044764254 175248136 /nfs/dbraw/zinc/24/81/36/175248136.db2.gz HCTIMJGHNUEGGU-UHFFFAOYSA-N 2 0 297.487 2.332 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCC2)C1 ZINC000045134871 175312354 /nfs/dbraw/zinc/31/23/54/175312354.db2.gz DBCDVVVTRLXKLI-AWEZNQCLSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371630 175364442 /nfs/dbraw/zinc/36/44/42/175364442.db2.gz WRBBOTJUJZSGMV-INIZCTEOSA-N 2 0 283.460 2.276 10 0 CEAERP CCC[N@H+](CC)CCCC[C@@](C)([NH3+])C(=O)OCC ZINC000045386867 175372705 /nfs/dbraw/zinc/37/27/05/175372705.db2.gz KAJJTHZFPCFMGO-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)OCC)C1CC1 ZINC000045387402 175373370 /nfs/dbraw/zinc/37/33/70/175373370.db2.gz NEMCEJJAKOFKIJ-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)C(C)C)C(N)=O ZINC000045392011 175375725 /nfs/dbraw/zinc/37/57/25/175375725.db2.gz NYMDVVDXZDKZRT-HOCLYGCPSA-N 2 0 285.476 2.377 10 0 CEAERP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200063 415635444 /nfs/dbraw/zinc/63/54/44/415635444.db2.gz IXGBQESELCTUNX-HUUCEWRRSA-N 2 0 261.413 2.219 10 0 CEAERP CC[C@H](CC[NH3+])N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000070988418 176018758 /nfs/dbraw/zinc/01/87/58/176018758.db2.gz HXOPOMRYCVBNAN-NVXWUHKLSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@H](CC[NH3+])N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000070988415 176018765 /nfs/dbraw/zinc/01/87/65/176018765.db2.gz HXOPOMRYCVBNAN-DOTOQJQBSA-N 2 0 275.440 2.493 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034902 176024692 /nfs/dbraw/zinc/02/46/92/176024692.db2.gz JEIHCTLVWSLKBO-HNNXBMFYSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036161 176025189 /nfs/dbraw/zinc/02/51/89/176025189.db2.gz UCQNJLLUQDOCQD-HNNXBMFYSA-N 2 0 283.460 2.096 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071038108 176026747 /nfs/dbraw/zinc/02/67/47/176026747.db2.gz ATOKZROJTGIASE-GOEBONIOSA-N 2 0 295.471 2.240 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)C2CC[NH+](C)CC2)C1 ZINC000071122742 176035356 /nfs/dbraw/zinc/03/53/56/176035356.db2.gz MVOIRKVSRRQUSV-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188049 176061399 /nfs/dbraw/zinc/06/13/99/176061399.db2.gz ZMLHFCYJBUIDGH-YRGRVCCFSA-N 2 0 267.442 2.020 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187965 176062197 /nfs/dbraw/zinc/06/21/97/176062197.db2.gz DBMRNSSNONXJMR-MJBXVCDLSA-N 2 0 281.469 2.328 10 0 CEAERP CCc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188681 176063725 /nfs/dbraw/zinc/06/37/25/176063725.db2.gz ITXQLCSCSSFLNE-WBVHZDCISA-N 2 0 275.440 2.132 10 0 CEAERP CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188953 176063888 /nfs/dbraw/zinc/06/38/88/176063888.db2.gz YCIUODDSONHDOM-QKPAOTATSA-N 2 0 267.461 2.022 10 0 CEAERP CC[NH2+]Cc1ccccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190061 176065555 /nfs/dbraw/zinc/06/55/55/176065555.db2.gz ZOVZMTQPCDVLQK-CQSZACIVSA-N 2 0 261.413 2.184 10 0 CEAERP C[N@@H+](Cc1ccc2c(c1)CCN2)C[C@@H]1CC[NH+](C)C1 ZINC000071190885 176068170 /nfs/dbraw/zinc/06/81/70/176068170.db2.gz JGWSZZOLDVFBDX-CQSZACIVSA-N 2 0 259.397 2.038 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191379 176069405 /nfs/dbraw/zinc/06/94/05/176069405.db2.gz KGFLDFOJWAAJTR-PMPSAXMXSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191436 176070720 /nfs/dbraw/zinc/07/07/20/176070720.db2.gz TUQTWZZYWGVARR-MRXNPFEDSA-N 2 0 281.488 2.430 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192071 176073868 /nfs/dbraw/zinc/07/38/68/176073868.db2.gz SOWGAQMXSUDHPZ-AWEZNQCLSA-N 2 0 279.428 2.081 10 0 CEAERP C[NH2+][C@@H]1CCCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198157 176077095 /nfs/dbraw/zinc/07/70/95/176077095.db2.gz XJBPBQUAZAFAGS-QGZVFWFLSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201181 176077895 /nfs/dbraw/zinc/07/78/95/176077895.db2.gz XYJOXESBXOJMHQ-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+]2CCCCC2)C1 ZINC000071201502 176078035 /nfs/dbraw/zinc/07/80/35/176078035.db2.gz XLVZBIFJSQJELT-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1ncsc1C[NH2+]CCC[C@H]1CCCC[NH2+]1 ZINC000071213767 176085427 /nfs/dbraw/zinc/08/54/27/176085427.db2.gz HGMVOXBHDCKSEH-GFCCVEGCSA-N 2 0 253.415 2.463 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263440 176096496 /nfs/dbraw/zinc/09/64/96/176096496.db2.gz OZSBSIYMIROJLL-OAHLLOKOSA-N 2 0 266.360 2.285 10 0 CEAERP CCC[NH2+]CCCCCC[N@@H+]1CCCN(C)CC1 ZINC000071287549 176109545 /nfs/dbraw/zinc/10/95/45/176109545.db2.gz DLDVULRBCKUIFF-UHFFFAOYSA-N 2 0 255.450 2.184 10 0 CEAERP CN(C)CC[N@H+](C)CCCCCC[NH2+]C(C)(C)C ZINC000071290141 176110718 /nfs/dbraw/zinc/11/07/18/176110718.db2.gz YHYDFCVRENCAFK-UHFFFAOYSA-N 2 0 257.466 2.428 10 0 CEAERP C[NH+](C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302109 177250454 /nfs/dbraw/zinc/25/04/54/177250454.db2.gz BVLCLOZUZCYHGR-GOSISDBHSA-N 3 0 289.467 2.494 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccs2)CC1 ZINC000179515831 278395435 /nfs/dbraw/zinc/39/54/35/278395435.db2.gz SQPJMEKSRKSKRN-CYBMUJFWSA-N 2 0 282.453 2.273 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000246085273 280272650 /nfs/dbraw/zinc/27/26/50/280272650.db2.gz IHSGDPILJSBIKE-LVQVYYBASA-N 2 0 297.487 2.340 10 0 CEAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397497665 280679522 /nfs/dbraw/zinc/67/95/22/280679522.db2.gz CRTDCABMGGPSTC-PMPSAXMXSA-N 2 0 282.472 2.494 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020128481 288759425 /nfs/dbraw/zinc/75/94/25/288759425.db2.gz UVPGMNLQIHFLKI-CVEARBPZSA-N 2 0 281.488 2.428 10 0 CEAERP [NH3+]C1CCC([NH2+]C[C@H](c2ccco2)N2CCCC2)CC1 ZINC000094074804 303361676 /nfs/dbraw/zinc/36/16/76/303361676.db2.gz DTRWSAYZQVLQJK-YMAMQOFZSA-N 2 0 277.412 2.276 10 0 CEAERP C[C@H](NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000581005709 322361160 /nfs/dbraw/zinc/36/11/60/322361160.db2.gz CVMUHJQPUZCQND-HOTGVXAUSA-N 2 0 267.461 2.086 10 0 CEAERP C1CC[NH+](C2CCN([C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000054135175 518579012 /nfs/dbraw/zinc/57/90/12/518579012.db2.gz JMXGCBJFCRXWPX-INIZCTEOSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503271 519744621 /nfs/dbraw/zinc/74/46/21/519744621.db2.gz YBOOVXMUMKVNIL-OAHLLOKOSA-N 2 0 257.466 2.140 10 0 CEAERP CCC[NH2+]CC(CC)(CC)C[N@@H+]1CCC[C@H]1CO ZINC000051254908 519908984 /nfs/dbraw/zinc/90/89/84/519908984.db2.gz UYQFRDBPGYJIEF-AWEZNQCLSA-N 2 0 256.434 2.249 10 0 CEAERP CCC[NH2+]CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571564 519911970 /nfs/dbraw/zinc/91/19/70/519911970.db2.gz YYPIHFQUGBRHDC-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653495 519941101 /nfs/dbraw/zinc/94/11/01/519941101.db2.gz PEJPMIAUKJPMMK-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1coc(COCCC[NH+](C)C)c1 ZINC000052672541 519965642 /nfs/dbraw/zinc/96/56/42/519965642.db2.gz XYRKATPUYKOXMJ-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](CCOC)C1CC1 ZINC000052542433 519971960 /nfs/dbraw/zinc/97/19/60/519971960.db2.gz MNFOQURZLJTAQX-UHFFFAOYSA-N 2 0 266.385 2.390 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068875170 519985494 /nfs/dbraw/zinc/98/54/94/519985494.db2.gz ZCJAJADOFKDJRC-JQWIXIFHSA-N 2 0 282.350 2.010 10 0 CEAERP CC[NH2+]Cc1sc(N(C)[C@@H]2CCC[N@H+](C)C2)nc1C ZINC000054998283 520033587 /nfs/dbraw/zinc/03/35/87/520033587.db2.gz OVAUUZICYITNKZ-GFCCVEGCSA-N 2 0 282.457 2.091 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052061380 520082353 /nfs/dbraw/zinc/08/23/53/520082353.db2.gz RJNXIRIXCLHHLJ-ZBFHGGJFSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055079234 520769177 /nfs/dbraw/zinc/76/91/77/520769177.db2.gz RPRGYKYSRRONJE-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262809 520956708 /nfs/dbraw/zinc/95/67/08/520956708.db2.gz AGAZXZNKXSSWAL-INIZCTEOSA-N 2 0 266.429 2.267 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)[C@H](C)COC ZINC000052504854 521289365 /nfs/dbraw/zinc/28/93/65/521289365.db2.gz ARLWZVNZZQGWJA-CYBMUJFWSA-N 2 0 283.416 2.277 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH2+]C1CC1)C(C)C ZINC000052544103 521657335 /nfs/dbraw/zinc/65/73/35/521657335.db2.gz BMSQGHUKHOXEQN-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062788958 521658918 /nfs/dbraw/zinc/65/89/18/521658918.db2.gz OTNAEHBJYUCGPX-UHFFFAOYSA-N 2 0 282.819 2.402 10 0 CEAERP C[NH2+]CC1(CN2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC000055081689 521969279 /nfs/dbraw/zinc/96/92/79/521969279.db2.gz RAVAYERBYOTWEJ-UHFFFAOYSA-N 2 0 281.488 2.430 10 0 CEAERP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000400530525 533868350 /nfs/dbraw/zinc/86/83/50/533868350.db2.gz RNQISJDNSICKLT-STQMWFEESA-N 2 0 257.381 2.298 10 0 CEAERP C(CN1CC[C@H]([NH+]2CCCC2)C1)[NH2+]C1CCCCCC1 ZINC000062974607 518391051 /nfs/dbraw/zinc/39/10/51/518391051.db2.gz RGJHVCXZWMSCHS-KRWDZBQOSA-N 2 0 279.472 2.469 10 0 CEAERP CC(C)[N@@H+](Cc1cccs1)C[C@@H]1CC[C@H](C[NH3+])O1 ZINC000052544996 519661787 /nfs/dbraw/zinc/66/17/87/519661787.db2.gz MWRVKJJBSZLFPQ-OLZOCXBDSA-N 2 0 268.426 2.465 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000063188664 519686281 /nfs/dbraw/zinc/68/62/81/519686281.db2.gz WAVGBBZLBPIEPP-OWCLPIDISA-N 2 0 265.445 2.076 10 0 CEAERP CC(C)C[NH+](Cc1ccc[nH+]c1NN)CC(C)C ZINC000052718882 519718655 /nfs/dbraw/zinc/71/86/55/519718655.db2.gz RKFUGXCQDJJTOC-UHFFFAOYSA-N 2 0 250.390 2.481 10 0 CEAERP CC(C)[NH2+]C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484164 519722973 /nfs/dbraw/zinc/72/29/73/519722973.db2.gz SWYNKTIZPMRPGF-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377150 519723959 /nfs/dbraw/zinc/72/39/59/519723959.db2.gz ZTHKFDARBPHQKV-LSDHHAIUSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055082978 519727482 /nfs/dbraw/zinc/72/74/82/519727482.db2.gz PHHYZGCMGCQYNY-INIZCTEOSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504447 519728214 /nfs/dbraw/zinc/72/82/14/519728214.db2.gz CMOCEZVOVXQNHK-ZDUSSCGKSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccccc2[C@H](C)[NH3+])CC1 ZINC000055079753 519729054 /nfs/dbraw/zinc/72/90/54/519729054.db2.gz WHCQGJSNJBILBR-AWEZNQCLSA-N 2 0 261.413 2.484 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711768 519742744 /nfs/dbraw/zinc/74/27/44/519742744.db2.gz RNMJZCUNWVGZRU-OAHLLOKOSA-N 2 0 268.445 2.249 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054098 519744129 /nfs/dbraw/zinc/74/41/29/519744129.db2.gz HJTAKSRUGWJCLZ-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N2CCC([NH+](C)C)CC2)c1 ZINC000051444788 519748026 /nfs/dbraw/zinc/74/80/26/519748026.db2.gz UWNBFSGHXUWIPO-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)OCC[C@@H]1CCC[N@@H+]1C ZINC000052672823 519794759 /nfs/dbraw/zinc/79/47/59/519794759.db2.gz VDAMRJJPJXCHET-LSDHHAIUSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643348 519826010 /nfs/dbraw/zinc/82/60/10/519826010.db2.gz MXSZSACDEOADIC-XUWVNRHRSA-N 2 0 267.461 2.164 10 0 CEAERP CCC[NH+]1CCC([N@@H+]2Cc3ccc(N)cc3C2)CC1 ZINC000049559829 519844737 /nfs/dbraw/zinc/84/47/37/519844737.db2.gz SGQKCUZAYXZCJE-UHFFFAOYSA-N 2 0 259.397 2.459 10 0 CEAERP CCCC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052374054 519902169 /nfs/dbraw/zinc/90/21/69/519902169.db2.gz CPFSXAJREIALTA-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061298258 519904942 /nfs/dbraw/zinc/90/49/42/519904942.db2.gz XAGMNQQLIKSONB-CZUORRHYSA-N 2 0 283.460 2.001 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CC[N@H+](CC)C1 ZINC000054628297 519908383 /nfs/dbraw/zinc/90/83/83/519908383.db2.gz RKAOOAWCIFFOKE-MGNMYUMUSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCC1 ZINC000054602500 519910269 /nfs/dbraw/zinc/91/02/69/519910269.db2.gz YJCHAWHARMFSRW-XYTVBORESA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]CC1(C[NH+]2CCC(OC)CC2)CCCC1 ZINC000051216230 519913042 /nfs/dbraw/zinc/91/30/42/519913042.db2.gz AXYFMNBVFTWLQW-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]C[C@](C)(CN1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062969912 519983571 /nfs/dbraw/zinc/98/35/71/519983571.db2.gz DCSVMPBMAYEYPS-ZWKOTPCHSA-N 2 0 289.467 2.190 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCCSCC2)o1 ZINC000052371042 519996276 /nfs/dbraw/zinc/99/62/76/519996276.db2.gz OVSUCPQXLZZDAE-UHFFFAOYSA-N 2 0 254.399 2.328 10 0 CEAERP CC[NH2+]Cc1ccc(OCC[N@H+](CC)CCOC)cc1 ZINC000052542715 519999553 /nfs/dbraw/zinc/99/95/53/519999553.db2.gz LEVAPXOZYWAIGH-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]Cc1occc1COCC[NH+]1CCCCC1 ZINC000052670833 520029821 /nfs/dbraw/zinc/02/98/21/520029821.db2.gz NGFRRKFBZYTJAM-UHFFFAOYSA-N 2 0 266.385 2.392 10 0 CEAERP CCC[NH2+][C@H](CCC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061643320 520070349 /nfs/dbraw/zinc/07/03/49/520070349.db2.gz UEKREOHVLVVUDE-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079374 520093600 /nfs/dbraw/zinc/09/36/00/520093600.db2.gz FMFMSAZNQCUGGJ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCCCCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655101 520093870 /nfs/dbraw/zinc/09/38/70/520093870.db2.gz NDZVMCPFLYOWMO-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+]1CCC(CC)CC1)C(N)=O ZINC000045428467 520104855 /nfs/dbraw/zinc/10/48/55/520104855.db2.gz JAJXZWZEJOZRAV-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1CN(CC[NH+](C)C)CC(C)C ZINC000053871308 520118324 /nfs/dbraw/zinc/11/83/24/520118324.db2.gz SUHZGVHXPQFFOD-HZPDHXFCSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@H](C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000069052134 520162628 /nfs/dbraw/zinc/16/26/28/520162628.db2.gz UXQCAGAJDVWILC-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062970136 520188337 /nfs/dbraw/zinc/18/83/37/520188337.db2.gz BKKXQVALRRBUKH-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+]([C@@H](C)CC)CC1)C(C)(C)C ZINC000055065952 520198978 /nfs/dbraw/zinc/19/89/78/520198978.db2.gz KAVOFMLAVSPVIO-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](Cc1cccs1)C1CC1 ZINC000062741068 520516842 /nfs/dbraw/zinc/51/68/42/520516842.db2.gz JSFMBLNQGDMWFS-ZDUSSCGKSA-N 2 0 268.426 2.466 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ncccn1 ZINC000054458939 520637011 /nfs/dbraw/zinc/63/70/11/520637011.db2.gz LZTGIFRNGWJQAZ-ZDUSSCGKSA-N 2 0 250.390 2.077 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000053244974 521229113 /nfs/dbraw/zinc/22/91/13/521229113.db2.gz XAXOFPHVEIOXDC-WBVHZDCISA-N 2 0 291.439 2.111 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000069381118 521252569 /nfs/dbraw/zinc/25/25/69/521252569.db2.gz APZXWGXQIJRXDY-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069381021 521252797 /nfs/dbraw/zinc/25/27/97/521252797.db2.gz YWPYRYVDJIJWJM-HZPDHXFCSA-N 2 0 267.461 2.454 10 0 CEAERP CCC(C)(C)[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075781 521349832 /nfs/dbraw/zinc/34/98/32/521349832.db2.gz UPDOIJSOGLGGNV-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(CC)(C[NH2+]C(C)C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969991 521439772 /nfs/dbraw/zinc/43/97/72/521439772.db2.gz BZPCCMQNDVLVJA-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cccnc1C(N)=[NH2+] ZINC000061658291 521559519 /nfs/dbraw/zinc/55/95/19/521559519.db2.gz PYCZROZQQGFTRW-UHFFFAOYSA-N 2 0 278.400 2.003 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052544072 521566592 /nfs/dbraw/zinc/56/65/92/521566592.db2.gz PHSAAYJITKYAAW-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655145 521596463 /nfs/dbraw/zinc/59/64/63/521596463.db2.gz WKZQZFKQHILZJE-DZGCQCFKSA-N 2 0 255.450 2.179 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000164386901 521617413 /nfs/dbraw/zinc/61/74/13/521617413.db2.gz MQOOFRNOOFSCND-CVEARBPZSA-N 2 0 295.471 2.003 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553826 521650993 /nfs/dbraw/zinc/65/09/93/521650993.db2.gz XEOFHIGVKUYJAD-ZNMIVQPWSA-N 2 0 255.450 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052183225 521656650 /nfs/dbraw/zinc/65/66/50/521656650.db2.gz ZUEGQUGDVUHTNA-UHFFFAOYSA-N 2 0 299.503 2.055 10 0 CEAERP CCC[N@H+](CCOc1ccc(C[NH2+]C)cc1)CCN(C)C ZINC000052544204 521669445 /nfs/dbraw/zinc/66/94/45/521669445.db2.gz GBPXRFPAHVGTKY-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP CCC1(CC)CC[NH+](C[C@@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000062958483 521687473 /nfs/dbraw/zinc/68/74/73/521687473.db2.gz FUQBYERKRNKZLK-KBPBESRZSA-N 2 0 254.418 2.395 10 0 CEAERP C[NH+](C)[C@@H]1CCN(c2cc(Br)ccc2C[NH3+])C1 ZINC000062967088 522051921 /nfs/dbraw/zinc/05/19/21/522051921.db2.gz KSSHIGXWSLTXSN-GFCCVEGCSA-N 2 0 298.228 2.048 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067244 522126608 /nfs/dbraw/zinc/12/66/08/522126608.db2.gz IKBIBXOYJNASNS-GFCCVEGCSA-N 2 0 292.402 2.026 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074616 522132188 /nfs/dbraw/zinc/13/21/88/522132188.db2.gz DJOZEROGHLKLMY-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+]Cc1occc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484209 522165675 /nfs/dbraw/zinc/16/56/75/522165675.db2.gz QPNCRUJDRFEWPQ-UHFFFAOYSA-N 2 0 291.439 2.449 10 0 CEAERP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ccccc2[C@@H]1O ZINC000063121491 522660101 /nfs/dbraw/zinc/66/01/01/522660101.db2.gz HAORFYLAAPSBBY-MSOLQXFVSA-N 2 0 288.435 2.308 10 0 CEAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000050953264 522789185 /nfs/dbraw/zinc/78/91/85/522789185.db2.gz GVDDMKUBMAOHFV-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP CC[C@@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375176 523266571 /nfs/dbraw/zinc/26/65/71/523266571.db2.gz XQVCCVAQZMHHAG-CQSZACIVSA-N 2 0 279.432 2.041 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571124 523354256 /nfs/dbraw/zinc/35/42/56/523354256.db2.gz QGXUDVXEZJGVOT-GUTXKFCHSA-N 2 0 254.418 2.406 10 0 CEAERP CN1CCC([N@H+](C)Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052419939 523358869 /nfs/dbraw/zinc/35/88/69/523358869.db2.gz SAXKXWNCINYCET-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP C[N@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)C1CCOCC1 ZINC000055022947 523624391 /nfs/dbraw/zinc/62/43/91/523624391.db2.gz DFHBWEKMBBNGKC-AWEZNQCLSA-N 2 0 261.369 2.165 10 0 CEAERP CC[C@@]1(C(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]C1 ZINC000062859037 523693604 /nfs/dbraw/zinc/69/36/04/523693604.db2.gz QQVLQYZDCASIHC-MRXNPFEDSA-N 2 0 295.471 2.147 10 0 CEAERP C[N@@H+]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1(C)C ZINC000068812070 523916660 /nfs/dbraw/zinc/91/66/60/523916660.db2.gz XMTUAHHMEVCPFZ-AWEZNQCLSA-N 2 0 287.407 2.459 10 0 CEAERP COc1ccc(C[N@H+](C)Cc2ccnc(C[NH3+])c2)cc1 ZINC000068749841 524007092 /nfs/dbraw/zinc/00/70/92/524007092.db2.gz SMFHJYQNYIUFTP-UHFFFAOYSA-N 2 0 271.364 2.181 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@](C)(N)c2ccccc2)CC1 ZINC000052883547 524049825 /nfs/dbraw/zinc/04/98/25/524049825.db2.gz WQYOETYTLBFNLA-KRWDZBQOSA-N 2 0 275.440 2.134 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2cc(C[NH2+]C3CC3)co2)CC1 ZINC000052515377 524049934 /nfs/dbraw/zinc/04/99/34/524049934.db2.gz UWGRNNLVPGWUQU-UHFFFAOYSA-N 3 0 291.439 2.305 10 0 CEAERP C[C@H]1CC[C@H]([NH3+])C[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125544 524415242 /nfs/dbraw/zinc/41/52/42/524415242.db2.gz IYYGACLSQZHPJF-VGWMRTNUSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)[C@@H]1C ZINC000068629671 524428449 /nfs/dbraw/zinc/42/84/49/524428449.db2.gz JCWDEBODAJDHOH-QBPKDAKJSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)OCC[C@H]1CCC[N@@H+]1C ZINC000052673544 524458215 /nfs/dbraw/zinc/45/82/15/524458215.db2.gz PHENOPYGHUDDPT-DZGCQCFKSA-N 2 0 254.418 2.408 10 0 CEAERP Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641994 524839666 /nfs/dbraw/zinc/83/96/66/524839666.db2.gz XEENQGKKNUUWOB-DJIMGWMZSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H]1C[N@H+](CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543577 524940645 /nfs/dbraw/zinc/94/06/45/524940645.db2.gz HEJGQRMVVPHOLR-CYBMUJFWSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087218 525099544 /nfs/dbraw/zinc/09/95/44/525099544.db2.gz XYPVQOAPDNITGI-LZWOXQAQSA-N 2 0 274.408 2.168 10 0 CEAERP C[C@](CCCC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516647 525138261 /nfs/dbraw/zinc/13/82/61/525138261.db2.gz CYNWIVSPTMSWBE-QGZVFWFLSA-N 2 0 295.471 2.275 10 0 CEAERP COc1ccc([C@H](C[NH3+])N2CC[NH+](C(C)C)CC2)cc1C ZINC000050596681 525351668 /nfs/dbraw/zinc/35/16/68/525351668.db2.gz OIZNKMBGTJZPGR-INIZCTEOSA-N 2 0 291.439 2.029 10 0 CEAERP COc1ccc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)cc1C ZINC000050596689 525351991 /nfs/dbraw/zinc/35/19/91/525351991.db2.gz GCXHSPRQARIRDH-INIZCTEOSA-N 2 0 291.439 2.029 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)c(C)s1 ZINC000063051120 525536827 /nfs/dbraw/zinc/53/68/27/525536827.db2.gz QFUUDKMIVSPCPE-HNNXBMFYSA-N 2 0 281.469 2.392 10 0 CEAERP C[C@@H](OC[C@H](O)C[NH2+]CCCC[NH+](C)C)c1ccccc1 ZINC000045697559 525907266 /nfs/dbraw/zinc/90/72/66/525907266.db2.gz GTMRJMQBCXKUPX-NVXWUHKLSA-N 2 0 294.439 2.057 10 0 CEAERP c1cc(C[NH2+]C2CC2)c(C[N@@H+]2CCCSCC2)o1 ZINC000052371031 526426459 /nfs/dbraw/zinc/42/64/59/526426459.db2.gz YSBAISURKVDEPI-UHFFFAOYSA-N 2 0 266.410 2.471 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@@H]2N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069267293 526506588 /nfs/dbraw/zinc/50/65/88/526506588.db2.gz HVFPGTORISNUGX-WBVHZDCISA-N 2 0 271.408 2.001 10 0 CEAERP Cc1oc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1C[NH3+] ZINC000062973334 526771479 /nfs/dbraw/zinc/77/14/79/526771479.db2.gz NOIJEFJHUVLUAN-OAHLLOKOSA-N 2 0 277.412 2.107 10 0 CEAERP Cc1[nH+]c2cc(N)ccc2n1C[C@H]1CCC[N@@H+](C)C1 ZINC000052854147 527123708 /nfs/dbraw/zinc/12/37/08/527123708.db2.gz RZSYKMDHRARYBK-LBPRGKRZSA-N 2 0 258.369 2.269 10 0 CEAERP [NH3+]C1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000055144243 527140576 /nfs/dbraw/zinc/14/05/76/527140576.db2.gz MRHJLNHIRRALBT-UHFFFAOYSA-N 2 0 259.397 2.079 10 0 CEAERP [NH3+]C[C@@H]1CCCCC[C@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758168 527208100 /nfs/dbraw/zinc/20/81/00/527208100.db2.gz KKXNLLPZCNZCDX-RRFJBIMHSA-N 2 0 254.418 2.131 10 0 CEAERP NC[C@H](C1CCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062038420 527224828 /nfs/dbraw/zinc/22/48/28/527224828.db2.gz KCKFQRCPDKGJAE-QGZVFWFLSA-N 2 0 279.472 2.312 10 0 CEAERP [NH3+]C[C@H]1CC[C@H](C[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000052443904 527240440 /nfs/dbraw/zinc/24/04/40/527240440.db2.gz OSTLHPKKGUYCSM-QZTJIDSGSA-N 2 0 288.435 2.447 10 0 CEAERP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250985819 625086148 /nfs/dbraw/zinc/08/61/48/625086148.db2.gz KHASVMKFFSMLRL-QEJZJMRPSA-N 2 0 262.397 2.343 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000261553161 628936378 /nfs/dbraw/zinc/93/63/78/628936378.db2.gz SESSNRWAFOAXPJ-UHOSZYNNSA-N 2 0 299.462 2.239 10 0 CEAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000261557324 628937874 /nfs/dbraw/zinc/93/78/74/628937874.db2.gz CNCHXRSRWVLMAY-TUVASFSCSA-N 2 0 252.402 2.018 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000261555199 282188738 /nfs/dbraw/zinc/18/87/38/282188738.db2.gz PLCRWJUZCZUVNX-DCAQKATOSA-N 2 0 251.761 2.217 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000136203792 344384279 /nfs/dbraw/zinc/38/42/79/344384279.db2.gz LVLPNJCIRODBEI-KRWDZBQOSA-N 2 0 295.471 2.097 10 0 CEAERP C[C@@H]1C[C@H](N2CC[C@@H]([NH3+])C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307637302 344723614 /nfs/dbraw/zinc/72/36/14/344723614.db2.gz WRLXYLZYLLOXFD-AHCXZYCDSA-N 2 0 287.451 2.461 10 0 CEAERP C[C@@H]1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C[C@H](C)O1 ZINC000584640945 344972179 /nfs/dbraw/zinc/97/21/79/344972179.db2.gz WIKJZUNLRCPHQY-FICVDOATSA-N 2 0 254.418 2.218 10 0 CEAERP CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774819 344984752 /nfs/dbraw/zinc/98/47/52/344984752.db2.gz OWAXBTUGCHNNAW-JYJNAYRXSA-N 2 0 267.461 2.085 10 0 CEAERP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000084463759 178891810 /nfs/dbraw/zinc/89/18/10/178891810.db2.gz AXJNSRBNUHAAPE-XNISGKROSA-N 2 0 267.461 2.035 10 0 CEAERP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000084464305 178891977 /nfs/dbraw/zinc/89/19/77/178891977.db2.gz ANLZPMSRJQBLNU-JJXSEGSLSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@@H](C[NH3+])CN1CC[NH+](C2C[C@H](C)C[C@H](C)C2)CC1 ZINC000084948130 178933544 /nfs/dbraw/zinc/93/35/44/178933544.db2.gz UPRXPZKDURQSHD-QGPPMGRFSA-N 2 0 267.461 2.024 10 0 CEAERP C[C@@H]1CC[C@@H](C)[C@@](C[NH3+])(N(C)C2CC[NH+](C)CC2)C1 ZINC000085101243 178948590 /nfs/dbraw/zinc/94/85/90/178948590.db2.gz PYDSJKATFTYMRN-IIAWOOMASA-N 2 0 267.461 2.166 10 0 CEAERP C[C@H](C[C@](C)(O)C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000085302794 179011013 /nfs/dbraw/zinc/01/10/13/179011013.db2.gz RUPLSVONVMIIFN-KGLIPLIRSA-N 2 0 254.418 2.131 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000085361669 179033739 /nfs/dbraw/zinc/03/37/39/179033739.db2.gz AEIRCISCYTYWGG-HZPDHXFCSA-N 2 0 287.407 2.348 10 0 CEAERP Cc1ccc(F)c(OCC[NH2+]CCC[NH+](C)C)c1 ZINC000085563796 179094701 /nfs/dbraw/zinc/09/47/01/179094701.db2.gz NPESYLFDFHTWGM-UHFFFAOYSA-N 2 0 254.349 2.054 10 0 CEAERP C[N@@H+]1CCC[C@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572141 179097068 /nfs/dbraw/zinc/09/70/68/179097068.db2.gz HRGGAZWSDOUBBM-LBPRGKRZSA-N 2 0 276.428 2.093 10 0 CEAERP CC[N@@H+]1CCC[C@@H](n2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085572792 179098380 /nfs/dbraw/zinc/09/83/80/179098380.db2.gz SCRMBBQXFNQEJD-CYBMUJFWSA-N 2 0 290.455 2.483 10 0 CEAERP CCCCOCC[N@@H+]1C[C@H](C2CC2)[NH2+]CC[C@@H]1C ZINC000085626296 179107299 /nfs/dbraw/zinc/10/72/99/179107299.db2.gz INIDHKPLFATZTP-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@@H+]1CC[C@@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085607097 179101735 /nfs/dbraw/zinc/10/17/35/179101735.db2.gz ICLLHNOCNDJQIJ-CYBMUJFWSA-N 2 0 274.412 2.063 10 0 CEAERP CC[C@@](C[NH3+])(C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000086120018 179234987 /nfs/dbraw/zinc/23/49/87/179234987.db2.gz JSFNOTSNQLYNQN-GOSISDBHSA-N 2 0 287.451 2.322 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086143099 179237276 /nfs/dbraw/zinc/23/72/76/179237276.db2.gz KEBYFJSFMMHXEE-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP C[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](c2ccccc2)C[NH2+]1 ZINC000086152501 179240228 /nfs/dbraw/zinc/24/02/28/179240228.db2.gz UJWJWKFXEBCUAG-JCGIZDLHSA-N 2 0 285.435 2.116 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153932 179241379 /nfs/dbraw/zinc/24/13/79/179241379.db2.gz WYVDZCMKVYNDKD-QZTJIDSGSA-N 2 0 289.467 2.233 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086173256 179244082 /nfs/dbraw/zinc/24/40/82/179244082.db2.gz IWZTZLYHSKLYTH-SOUVJXGZSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[C@@H]1CN[C@@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174338 179245885 /nfs/dbraw/zinc/24/58/85/179245885.db2.gz FCXGWJIUFHYBIB-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[C@@H]1CNCC[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086177632 179246414 /nfs/dbraw/zinc/24/64/14/179246414.db2.gz YWFLQNGWPNNEHX-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086146539 179238942 /nfs/dbraw/zinc/23/89/42/179238942.db2.gz SYEOVLQVNIEKDI-CABCVRRESA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@]1(C)CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146732 179239709 /nfs/dbraw/zinc/23/97/09/179239709.db2.gz WQANWYPQCWMFEV-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224023 179253639 /nfs/dbraw/zinc/25/36/39/179253639.db2.gz NZYRDGAJAQXFBV-BZUAXINKSA-N 2 0 281.488 2.425 10 0 CEAERP CCC[NH+]1CCC(N2CC3(CCCC3)[NH2+]C[C@H]2C)CC1 ZINC000086227315 179254187 /nfs/dbraw/zinc/25/41/87/179254187.db2.gz UWDBNUAPIBMJCP-OAHLLOKOSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259230 179258753 /nfs/dbraw/zinc/25/87/53/179258753.db2.gz SOYSJAVPAJWXBN-HUUCEWRRSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086259354 179258760 /nfs/dbraw/zinc/25/87/60/179258760.db2.gz JIHBLLIWNYCOFS-JYJNAYRXSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259583 179258833 /nfs/dbraw/zinc/25/88/33/179258833.db2.gz ZZWYFTQCNFYYNX-OLMNPRSZSA-N 2 0 285.435 2.258 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260741 179260674 /nfs/dbraw/zinc/26/06/74/179260674.db2.gz BLMSOODKICCGGJ-DJIMGWMZSA-N 2 0 279.472 2.179 10 0 CEAERP C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287094 179264092 /nfs/dbraw/zinc/26/40/92/179264092.db2.gz BGLWGTDPGPQTDL-KBPBESRZSA-N 2 0 252.402 2.162 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259325 179257595 /nfs/dbraw/zinc/25/75/95/179257595.db2.gz HYWHHBMJVWYXIV-CVEARBPZSA-N 2 0 279.472 2.467 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CCC[NH2+][C@@H](C(C)(C)C)C2)C1 ZINC000086291612 179266093 /nfs/dbraw/zinc/26/60/93/179266093.db2.gz FGUJEBTYRXNOAC-HUUCEWRRSA-N 2 0 267.461 2.038 10 0 CEAERP CCC1(CC)CN(C[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291734 179266670 /nfs/dbraw/zinc/26/66/70/179266670.db2.gz SCLJCMJCELPXNU-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+](CC)CCc1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086438891 179293043 /nfs/dbraw/zinc/29/30/43/179293043.db2.gz CZWUFIJSMACNGP-SNVBAGLBSA-N 2 0 253.415 2.364 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NC1=[NH+]C[C@@H](C)CS1 ZINC000086632828 179314826 /nfs/dbraw/zinc/31/48/26/179314826.db2.gz GAGFGXSZUBVBMV-NEPJUHHUSA-N 2 0 255.431 2.189 10 0 CEAERP CC(C)CN(C(C)C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819461 179348153 /nfs/dbraw/zinc/34/81/53/179348153.db2.gz PGBPJHLVJHKOIJ-HNNXBMFYSA-N 2 0 255.450 2.166 10 0 CEAERP Cc1cccc(CN(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)c1 ZINC000086819347 179348476 /nfs/dbraw/zinc/34/84/76/179348476.db2.gz DBPYICQKTDMFMZ-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(CC(C)C)C2CC2)CC1 ZINC000086848078 179356456 /nfs/dbraw/zinc/35/64/56/179356456.db2.gz DYIZYSRXZGWDAZ-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848903 179357471 /nfs/dbraw/zinc/35/74/71/179357471.db2.gz GTDSIMXFVKWGFN-OWCLPIDISA-N 2 0 299.528 2.406 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000086836235 179349807 /nfs/dbraw/zinc/34/98/07/179349807.db2.gz ZXUSWXXWCYDPFS-AWEZNQCLSA-N 2 0 276.380 2.379 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835825 179350041 /nfs/dbraw/zinc/35/00/41/179350041.db2.gz IWCGCZNTYGSZDG-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@@H+]1CCC[C@H](NCC[NH+]2CCCCCC2)CC1 ZINC000086842505 179352630 /nfs/dbraw/zinc/35/26/30/179352630.db2.gz XDVJJDFUGBUNRF-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CCC[N@H+](CC)CC1 ZINC000086843788 179352635 /nfs/dbraw/zinc/35/26/35/179352635.db2.gz OIIMIDFXWWIXGB-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841977 179353451 /nfs/dbraw/zinc/35/34/51/179353451.db2.gz IJRVVUULCVGYGO-CABCVRRESA-N 2 0 283.460 2.144 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850883 179357803 /nfs/dbraw/zinc/35/78/03/179357803.db2.gz SRDMNQJYRFUSJW-LSDHHAIUSA-N 2 0 253.434 2.063 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCc3ccccc3C2)CC1 ZINC000086846522 179355083 /nfs/dbraw/zinc/35/50/83/179355083.db2.gz KASRMRIRYHMVEZ-SFHVURJKSA-N 2 0 287.451 2.248 10 0 CEAERP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846784 179355294 /nfs/dbraw/zinc/35/52/94/179355294.db2.gz CDEUVEFOCKBGEY-MRXNPFEDSA-N 2 0 267.461 2.453 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849653 179358636 /nfs/dbraw/zinc/35/86/36/179358636.db2.gz WLYFPSPOLOACED-KRWDZBQOSA-N 2 0 295.471 2.417 10 0 CEAERP CC(C)[C@@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952104 179368845 /nfs/dbraw/zinc/36/88/45/179368845.db2.gz QOQCCWMEXLJLRX-HZPDHXFCSA-N 2 0 268.445 2.249 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087048482 179387923 /nfs/dbraw/zinc/38/79/23/179387923.db2.gz SDGCPFAPSBNNKP-AWEZNQCLSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+]C1(CC[N@@H+]2CC[C@H](COC)C2)CCCCC1 ZINC000087578686 179450208 /nfs/dbraw/zinc/45/02/08/179450208.db2.gz DLGNMOVFNAUGNV-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@H]1CC[NH3+] ZINC000616625001 348538827 /nfs/dbraw/zinc/53/88/27/348538827.db2.gz JSEBFJDXWSPCMS-ZDUSSCGKSA-N 2 0 285.432 2.105 10 0 CEAERP CCC(CC)[C@@H](CN[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922700 187398891 /nfs/dbraw/zinc/39/88/91/187398891.db2.gz STOMTOODRCHJHU-LSDHHAIUSA-N 2 0 255.450 2.085 10 0 CEAERP C[NH2+]CC1(CN2CC[C@@H]([NH+](C)C)C2)CCCCCC1 ZINC000089565511 179818651 /nfs/dbraw/zinc/81/86/51/179818651.db2.gz ASDUVIHTFUQAPS-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC1CCC([C@H](C[NH3+])N(C)CCC[NH+](C)C)CC1 ZINC000089576840 179823121 /nfs/dbraw/zinc/82/31/21/179823121.db2.gz CWAXTRQARVKIRK-NRXISQOPSA-N 2 0 255.450 2.024 10 0 CEAERP C[N@H+](Cc1cccc(Cl)c1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606663 180011279 /nfs/dbraw/zinc/01/12/79/180011279.db2.gz NLGRTNLPSWJSCF-KBPBESRZSA-N 2 0 268.788 2.136 10 0 CEAERP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694626 180025912 /nfs/dbraw/zinc/02/59/12/180025912.db2.gz VDRNOUIQQZECTE-GDBMZVCRSA-N 2 0 295.471 2.001 10 0 CEAERP FC(F)(F)COCC[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694586 180026417 /nfs/dbraw/zinc/02/64/17/180026417.db2.gz PPOOGNOSTVSLFG-GFCCVEGCSA-N 2 0 280.334 2.029 10 0 CEAERP c1ccc2c(c1)C[C@H](C[NH+]1CCC(C[NH2+]C3CC3)CC1)O2 ZINC000090875392 180051327 /nfs/dbraw/zinc/05/13/27/180051327.db2.gz LMVGTRZZSHJTPW-QGZVFWFLSA-N 2 0 286.419 2.454 10 0 CEAERP CCC[NH2+]Cc1cccn1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000090996097 180083424 /nfs/dbraw/zinc/08/34/24/180083424.db2.gz FLZNUQZIQNWXHQ-MRXNPFEDSA-N 2 0 279.428 2.097 10 0 CEAERP CC[NH+](CC)CCn1cc(C[NH2+]C)c2cccnc21 ZINC000091019654 180087906 /nfs/dbraw/zinc/08/79/06/180087906.db2.gz WUQVLIXLPPMWRX-UHFFFAOYSA-N 2 0 260.385 2.098 10 0 CEAERP C[NH+](C)CCn1cc(C[NH2+]C(C)(C)C)c2cccnc21 ZINC000091021004 180088558 /nfs/dbraw/zinc/08/85/58/180088558.db2.gz YIFRSKCBLAXNRY-UHFFFAOYSA-N 2 0 274.412 2.486 10 0 CEAERP CC(C)[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccs1 ZINC000091313879 180133079 /nfs/dbraw/zinc/13/30/79/180133079.db2.gz PVUJOBYEAYZABH-CYBMUJFWSA-N 2 0 268.426 2.337 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(CC)Cc1cccs1 ZINC000091322769 180134518 /nfs/dbraw/zinc/13/45/18/180134518.db2.gz OOJCQUQOBKNRBI-CYBMUJFWSA-N 2 0 297.468 2.156 10 0 CEAERP CN(CC[NH+]1CCCC1)C[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091362815 180142541 /nfs/dbraw/zinc/14/25/41/180142541.db2.gz LYKKTYMBGUWTFX-ULQDDVLXSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091432359 180153649 /nfs/dbraw/zinc/15/36/49/180153649.db2.gz WDWKWLCMCUKAPC-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449823 180158318 /nfs/dbraw/zinc/15/83/18/180158318.db2.gz OJQGOMKYOPZZNL-GJZGRUSLSA-N 2 0 269.477 2.425 10 0 CEAERP CSC1(C[NH3+])CC[NH+](CCOCCC(C)C)CC1 ZINC000091474143 180165445 /nfs/dbraw/zinc/16/54/45/180165445.db2.gz VMODIHJMYRZIOS-UHFFFAOYSA-N 2 0 274.474 2.205 10 0 CEAERP CC[NH2+][C@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091393930 180145776 /nfs/dbraw/zinc/14/57/76/180145776.db2.gz RLBCSGQEGHZGFT-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP Cc1ccc(C)c([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091395193 180146696 /nfs/dbraw/zinc/14/66/96/180146696.db2.gz UUBLFOFNFCQQBH-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN(C)C1CC[NH+](C)CC1 ZINC000091402620 180146813 /nfs/dbraw/zinc/14/68/13/180146813.db2.gz IVCVADATOZLJIA-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000091403499 180147563 /nfs/dbraw/zinc/14/75/63/180147563.db2.gz URRSBKNIJYRKBO-AWEZNQCLSA-N 3 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CCC[N@H+](C)CC1 ZINC000091402639 180147572 /nfs/dbraw/zinc/14/75/72/180147572.db2.gz UCTCNPYUGPPSGZ-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)[C@@](C)(CC)[C@H](N)Cc1c[nH+]ccc1N ZINC000091573604 180196145 /nfs/dbraw/zinc/19/61/45/180196145.db2.gz PSCIBYYKHQWHAI-CABCVRRESA-N 2 0 264.417 2.044 10 0 CEAERP CC[C@](C)([C@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606085 180204498 /nfs/dbraw/zinc/20/44/98/180204498.db2.gz SLVGHALVQZDSSZ-GOEBONIOSA-N 2 0 276.428 2.059 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000091545261 180186348 /nfs/dbraw/zinc/18/63/48/180186348.db2.gz WKROAUPXSUSWNL-MWLCHTKSSA-N 2 0 250.308 2.388 10 0 CEAERP C[NH2+][C@H]([C@@H]1CCOC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640857 180213405 /nfs/dbraw/zinc/21/34/05/180213405.db2.gz ZABQPVOOKBPTSG-ZIAGYGMSSA-N 2 0 252.402 2.020 10 0 CEAERP C[NH2+][C@@H]([C@H]1CCOC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640858 180213528 /nfs/dbraw/zinc/21/35/28/180213528.db2.gz ZABQPVOOKBPTSG-KBPBESRZSA-N 2 0 252.402 2.020 10 0 CEAERP C[N@H+](C[C@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091846643 180270445 /nfs/dbraw/zinc/27/04/45/180270445.db2.gz XGMHSKIRKGEARI-GPANFISMSA-N 2 0 262.397 2.096 10 0 CEAERP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847787 180270803 /nfs/dbraw/zinc/27/08/03/180270803.db2.gz MKEMYLAEYNRMBQ-OPFPJEHXSA-N 2 0 281.444 2.026 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000091870609 180277421 /nfs/dbraw/zinc/27/74/21/180277421.db2.gz GUKSRVYUCIZHTL-VQCLRJIVSA-N 2 0 295.471 2.286 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cn3ccccc3n2)CC1 ZINC000091870592 180277499 /nfs/dbraw/zinc/27/74/99/180277499.db2.gz ACBANFVTFYAYEP-UHFFFAOYSA-N 2 0 272.396 2.297 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870441 180277522 /nfs/dbraw/zinc/27/75/22/180277522.db2.gz IMYSCJBPDSXWJG-IYXRBSQSSA-N 2 0 283.460 2.142 10 0 CEAERP CCC1CCC(C[NH3+])(C2(O)CC[NH+](CC)CC2)CC1 ZINC000091906318 180283845 /nfs/dbraw/zinc/28/38/45/180283845.db2.gz GUMLFINEBFHSRS-UHFFFAOYSA-N 2 0 268.445 2.379 10 0 CEAERP C[N@@H+]1CC[C@@](O)(C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000091907210 180283958 /nfs/dbraw/zinc/28/39/58/180283958.db2.gz LTNALCXSBJFBPK-BCLQGDPASA-N 2 0 268.445 2.234 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)C1CCC([NH3+])CC1 ZINC000091996245 180302512 /nfs/dbraw/zinc/30/25/12/180302512.db2.gz LOVQBMXLAKALRN-UHFFFAOYSA-N 2 0 263.385 2.187 10 0 CEAERP C[C@@H]1C[NH+](CCCC(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000092082052 180319327 /nfs/dbraw/zinc/31/93/27/180319327.db2.gz JMNXXPZEOATMSG-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088418 180321702 /nfs/dbraw/zinc/32/17/02/180321702.db2.gz IIVNOFBCIMAVRX-OWCLPIDISA-N 2 0 268.445 2.371 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C=C[C@@H]([NH3+])C2)s1 ZINC000092209105 180344883 /nfs/dbraw/zinc/34/48/83/180344883.db2.gz VWRUTIQZLLKSBZ-XXILOJSOSA-N 2 0 251.399 2.314 10 0 CEAERP c1ccc2c(c1)SC[C@@H]2C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000092290791 180357613 /nfs/dbraw/zinc/35/76/13/180357613.db2.gz RWKXIQKRUMBGBC-UPJWGTAASA-N 2 0 260.406 2.027 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@@H]1COc2ccccc21 ZINC000092298828 180358343 /nfs/dbraw/zinc/35/83/43/180358343.db2.gz YBZDAMGAPXHJLY-CQSZACIVSA-N 2 0 262.397 2.469 10 0 CEAERP CCC[NH2+]CCc1c(CC)nn(CC[NH+](C)C)c1CC ZINC000092322986 180362231 /nfs/dbraw/zinc/36/22/31/180362231.db2.gz SOMFREMFIXLOKR-UHFFFAOYSA-N 2 0 280.460 2.112 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CO)C(C)C)C1 ZINC000092394322 180376615 /nfs/dbraw/zinc/37/66/15/180376615.db2.gz KYVXUKQTIHHJLD-ILXRZTDVSA-N 2 0 256.434 2.103 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000092419005 180382118 /nfs/dbraw/zinc/38/21/18/180382118.db2.gz AXZLEVOXSYMROV-CQSZACIVSA-N 2 0 276.428 2.430 10 0 CEAERP CC[NH+](CC)CCc1noc(C[C@@H]([NH2+]C)C(C)(C)C)n1 ZINC000109496167 186257077 /nfs/dbraw/zinc/25/70/77/186257077.db2.gz RPOQWAAOXOIYCU-GFCCVEGCSA-N 2 0 282.432 2.131 10 0 CEAERP C[NH+](C)CCOc1cc(C[NH2+]C2CC2)nc2ccccc21 ZINC000109590646 186264993 /nfs/dbraw/zinc/26/49/93/186264993.db2.gz NYTOFQYFIWZBJB-UHFFFAOYSA-N 2 0 285.391 2.427 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000109460483 186254364 /nfs/dbraw/zinc/25/43/64/186254364.db2.gz HJSXGJZNYLMMHZ-KRWDZBQOSA-N 2 0 275.440 2.158 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2ccc3c(c2)OCCCO3)CC1 ZINC000110645356 186308879 /nfs/dbraw/zinc/30/88/79/186308879.db2.gz BOASCTKBUPXWEJ-ZDUSSCGKSA-N 2 0 290.407 2.407 10 0 CEAERP Cc1cccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704816 186313678 /nfs/dbraw/zinc/31/36/78/186313678.db2.gz YBNCGJMWYYCVIB-GOEBONIOSA-N 2 0 275.440 2.409 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccccc2C)C[C@@H]1C ZINC000110703121 186313840 /nfs/dbraw/zinc/31/38/40/186313840.db2.gz OXYLTLPOCKFDIT-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110716305 186315859 /nfs/dbraw/zinc/31/58/59/186315859.db2.gz KPPMPLTZOGSVQU-HZPDHXFCSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@H]1CN([C@@H]2CCc3ccccc3[C@@H]2[NH2+]C)CC[N@@H+]1C ZINC000110715784 186316497 /nfs/dbraw/zinc/31/64/97/186316497.db2.gz XPKYFOBHMHZREP-JQHSSLGASA-N 2 0 287.451 2.288 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716539 186316544 /nfs/dbraw/zinc/31/65/44/186316544.db2.gz IEEPHPJDDLMTGQ-INIZCTEOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[N@@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])C[C@@H]1C ZINC000110714464 186316753 /nfs/dbraw/zinc/31/67/53/186316753.db2.gz GHVYYONIIBHCBK-SOUVJXGZSA-N 2 0 253.434 2.063 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000110746245 186319406 /nfs/dbraw/zinc/31/94/06/186319406.db2.gz UOUCVOROKJRTKO-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCN(CC[NH2+]C2CCC(C)CC2)C[C@@H]1C ZINC000110756916 186320059 /nfs/dbraw/zinc/32/00/59/186320059.db2.gz MBUORCHFHAXFJO-PCKAHOCUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1CN([C@@H](C)C[NH2+]C(C)(C)CC)CC[N@@H+]1C ZINC000110757266 186320857 /nfs/dbraw/zinc/32/08/57/186320857.db2.gz HOIOQDBIHXLTKX-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)CC[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757964 186321638 /nfs/dbraw/zinc/32/16/38/186321638.db2.gz HPPPINOAQXVTNM-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC[N@@H+]1C ZINC000110751725 186321766 /nfs/dbraw/zinc/32/17/66/186321766.db2.gz WURSLYQLYDRLET-GFCCVEGCSA-N 2 0 296.484 2.167 10 0 CEAERP CC[N@@H+]1CCN(CC[NH2+]Cc2ccc(C)s2)C[C@@H]1C ZINC000110756987 186321898 /nfs/dbraw/zinc/32/18/98/186321898.db2.gz IZJIGLDQHXPIJU-ZDUSSCGKSA-N 2 0 281.469 2.172 10 0 CEAERP C[N@H+](C[C@H]1CCCOC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157301 186362115 /nfs/dbraw/zinc/36/21/15/186362115.db2.gz AQJIZVLKFDDBEU-RBSFLKMASA-N 2 0 254.418 2.252 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111131588 186355939 /nfs/dbraw/zinc/35/59/39/186355939.db2.gz KLKJNIIVANFGIZ-WCQYABFASA-N 2 0 255.431 2.020 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111130642 186356756 /nfs/dbraw/zinc/35/67/56/186356756.db2.gz MLGBYWNEYRQNBK-UONOGXRCSA-N 2 0 269.458 2.410 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(C)CCC[NH+](C)C ZINC000111131612 186356768 /nfs/dbraw/zinc/35/67/68/186356768.db2.gz WYYUXUZNCOAVES-UKRRQHHQSA-N 2 0 267.417 2.250 10 0 CEAERP CC(C)[NH2+]Cc1cc(F)ccc1N(C)CC[NH+](C)C ZINC000111140276 186356937 /nfs/dbraw/zinc/35/69/37/186356937.db2.gz BBXCKBVYTVNFJP-UHFFFAOYSA-N 2 0 267.392 2.322 10 0 CEAERP COc1ccc([C@H](C)[NH3+])cc1CN(C)CCC[NH+](C)C ZINC000111136424 186357034 /nfs/dbraw/zinc/35/70/34/186357034.db2.gz DBXHLRFHWHXCLG-ZDUSSCGKSA-N 2 0 279.428 2.098 10 0 CEAERP CN(CC[NH+](C)C)C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000111135378 186357548 /nfs/dbraw/zinc/35/75/48/186357548.db2.gz UDIUKVGPYWBKAF-ZDUSSCGKSA-N 2 0 289.345 2.199 10 0 CEAERP CCc1ccc([C@H]([NH3+])[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134377 186357970 /nfs/dbraw/zinc/35/79/70/186357970.db2.gz DZBYADCNJGHOFX-XJKSGUPXSA-N 2 0 263.429 2.131 10 0 CEAERP CC[NH2+]CC1(CN(C)CCC[NH+](C)C)CCCCC1 ZINC000111148041 186358265 /nfs/dbraw/zinc/35/82/65/186358265.db2.gz HPKVJWYODPJSCI-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111147987 186358420 /nfs/dbraw/zinc/35/84/20/186358420.db2.gz OKTJMRASZABNCO-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CN(CCC[NH+](C)C)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000111149411 186358694 /nfs/dbraw/zinc/35/86/94/186358694.db2.gz OJRINHISPDWXJJ-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111147741 186358776 /nfs/dbraw/zinc/35/87/76/186358776.db2.gz BUHBGRQQPLTAOM-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]Cc1nc(N(C)CC[NH+](C)C)ccc1Cl ZINC000111148984 186359206 /nfs/dbraw/zinc/35/92/06/186359206.db2.gz GHXQRTCBJHSKFW-UHFFFAOYSA-N 2 0 284.835 2.232 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)CC1CCOCC1 ZINC000111175568 186364835 /nfs/dbraw/zinc/36/48/35/186364835.db2.gz RZEPYVYTADGDNH-UHFFFAOYSA-N 2 0 262.397 2.264 10 0 CEAERP CC[NH2+]C[C@](C)(CC)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171832 186365347 /nfs/dbraw/zinc/36/53/47/186365347.db2.gz BPLFTLKUINCFSD-GJZGRUSLSA-N 2 0 256.434 2.371 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N(C)CC1CCOCC1 ZINC000111175472 186365445 /nfs/dbraw/zinc/36/54/45/186365445.db2.gz JMWUMXPFDDVDAU-OAHLLOKOSA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+]C[C@]1(C[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324271 186396730 /nfs/dbraw/zinc/39/67/30/186396730.db2.gz HKRIMCHYFVBDPN-KRWDZBQOSA-N 2 0 274.408 2.061 10 0 CEAERP C[N@H+](C[C@]1(C[NH3+])CCCOC1)C1CCCCCC1 ZINC000111325835 186399225 /nfs/dbraw/zinc/39/92/25/186399225.db2.gz CSHBGPYNVACCSP-OAHLLOKOSA-N 2 0 254.418 2.397 10 0 CEAERP COC1CC[NH+](C[C@@]2(C[NH2+]CC(C)C)CCCOC2)CC1 ZINC000111325055 186399235 /nfs/dbraw/zinc/39/92/35/186399235.db2.gz VGSUKMXEWQGLNK-KRWDZBQOSA-N 2 0 298.471 2.140 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c1 ZINC000111266782 186383401 /nfs/dbraw/zinc/38/34/01/186383401.db2.gz UXXVGHPWXSQZIY-CJNGLKHVSA-N 2 0 289.423 2.322 10 0 CEAERP CCCN(CC[NH+](CC)CC)C[C@H]1CCC[NH2+]C1 ZINC000220437421 283235279 /nfs/dbraw/zinc/23/52/79/283235279.db2.gz YNIGFVMXMOLLSH-HNNXBMFYSA-N 2 0 255.450 2.040 10 0 CEAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000177245158 299315307 /nfs/dbraw/zinc/31/53/07/299315307.db2.gz RKNWJLZFHIFFMT-HOCLYGCPSA-N 2 0 268.445 2.392 10 0 CEAERP OCC[C@H]([NH2+]C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000100282903 364543764 /nfs/dbraw/zinc/54/37/64/364543764.db2.gz OZUTYNJENZEIRC-AEFFLSMTSA-N 2 0 288.435 2.402 10 0 CEAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC000121096873 365523142 /nfs/dbraw/zinc/52/31/42/365523142.db2.gz HVYDIVDXUORYME-ZDUSSCGKSA-N 2 0 280.412 2.113 10 0 CEAERP COc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000583982024 367123805 /nfs/dbraw/zinc/12/38/05/367123805.db2.gz FKLJIOJJRCMTTP-UKRRQHHQSA-N 2 0 262.397 2.215 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccc(F)c3cccnc23)C[C@@H]1C[NH3+] ZINC000631840094 367580607 /nfs/dbraw/zinc/58/06/07/367580607.db2.gz PKBZBXCVMAWWFY-AAEUAGOBSA-N 2 0 273.355 2.401 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000367 369035185 /nfs/dbraw/zinc/03/51/85/369035185.db2.gz MWSRWJXJTXQOBH-DOMZBBRYSA-N 2 0 255.365 2.261 10 0 CEAERP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1[NH+]1CCOCC1 ZINC000246560185 370976267 /nfs/dbraw/zinc/97/62/67/370976267.db2.gz ROYKKHVCNXLANI-RDTXWAMCSA-N 2 0 297.402 2.392 10 0 CEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261612418 371678074 /nfs/dbraw/zinc/67/80/74/371678074.db2.gz SPQMTWKCVZTQGD-JSGCOSHPSA-N 2 0 253.349 2.423 10 0 CEAERP COCc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261584690 371662247 /nfs/dbraw/zinc/66/22/47/371662247.db2.gz HXTSQLUYRXUONQ-JYJNAYRXSA-N 2 0 260.381 2.002 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000261698538 371705598 /nfs/dbraw/zinc/70/55/98/371705598.db2.gz NYHRRGXXALXIQS-BHYGNILZSA-N 2 0 282.391 2.041 10 0 CEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262006934 371797298 /nfs/dbraw/zinc/79/72/98/371797298.db2.gz VDZPDLVTHHUNIR-GVRJEKJASA-N 2 0 266.429 2.312 10 0 CEAERP CC(C)C(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(C)C ZINC000388412317 375291228 /nfs/dbraw/zinc/29/12/28/375291228.db2.gz JDTZIGRZZAEILY-OAHLLOKOSA-N 2 0 270.461 2.351 10 0 CEAERP C[C@@H]1[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000307209513 376560417 /nfs/dbraw/zinc/56/04/17/376560417.db2.gz KGLKETYHLXVLFU-JOCBIADPSA-N 2 0 287.451 2.319 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](C)C[NH2+]CC(C)C ZINC000092675682 184620825 /nfs/dbraw/zinc/62/08/25/184620825.db2.gz WHUKSGRSBCFIGL-HOTGVXAUSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCCCCCC1 ZINC000093582542 184692601 /nfs/dbraw/zinc/69/26/01/184692601.db2.gz ZAQNQPMOULFQEG-RDJZCZTQSA-N 2 0 295.471 2.276 10 0 CEAERP C[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000093596012 184694162 /nfs/dbraw/zinc/69/41/62/184694162.db2.gz HOPOVDFVIMDROA-WMLDXEAASA-N 2 0 295.471 2.132 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H](N2CC[NH+](CC(C)C)CC2)C1 ZINC000093730336 184709633 /nfs/dbraw/zinc/70/96/33/184709633.db2.gz HJIUWIQJAQRNAD-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+]C1CC[NH+]([C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000094361367 184789294 /nfs/dbraw/zinc/78/92/94/184789294.db2.gz PGBWCBUFRIKJGL-AWEZNQCLSA-N 2 0 252.402 2.291 10 0 CEAERP CCC[C@](C)(C[NH2+]C1CC1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094466046 184805998 /nfs/dbraw/zinc/80/59/98/184805998.db2.gz SGEBOJNJJUYORF-IAGOWNOFSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400462900 533392854 /nfs/dbraw/zinc/39/28/54/533392854.db2.gz VCEQYFSFHCRQLA-ZIAGYGMSSA-N 2 0 272.396 2.014 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000089482680 135059393 /nfs/dbraw/zinc/05/93/93/135059393.db2.gz SUBDKSBNRGXPSY-IAGOWNOFSA-N 2 0 287.451 2.492 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cccc(Cl)c2C[NH3+])C1 ZINC000091393822 135069005 /nfs/dbraw/zinc/06/90/05/135069005.db2.gz AUXJPXVEASCDSN-NSHDSACASA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2ccc(C(N)=[NH2+])cc2Cl)C1 ZINC000091394999 135069021 /nfs/dbraw/zinc/06/90/21/135069021.db2.gz FWEIVIJMEIGYKD-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP NC(=[NH2+])c1c(F)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000093408906 135080860 /nfs/dbraw/zinc/08/08/60/135080860.db2.gz ZUNDVTAVMQLOSR-UHFFFAOYSA-N 2 0 290.386 2.174 10 0 CEAERP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236882102 394488656 /nfs/dbraw/zinc/48/86/56/394488656.db2.gz QJAPKRGHKWMCMC-INIZCTEOSA-N 2 0 291.439 2.272 10 0 CEAERP C[C@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000306778921 394517814 /nfs/dbraw/zinc/51/78/14/394517814.db2.gz SMQPPMIXJOBFIE-MUQADHOPSA-N 2 0 287.451 2.332 10 0 CEAERP CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398469 394554942 /nfs/dbraw/zinc/55/49/42/394554942.db2.gz SFMPEBMRKUWOLL-HUUCEWRRSA-N 2 0 254.418 2.098 10 0 CEAERP Brc1cccc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000258802624 394598277 /nfs/dbraw/zinc/59/82/77/394598277.db2.gz CXRMGFWOQMFZMY-NSHDSACASA-N 2 0 269.186 2.148 10 0 CEAERP COc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1Br ZINC000258774064 394598442 /nfs/dbraw/zinc/59/84/42/394598442.db2.gz OILRXZOMNRRANZ-VIFPVBQESA-N 2 0 287.201 2.285 10 0 CEAERP CCC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000153673613 395014860 /nfs/dbraw/zinc/01/48/60/395014860.db2.gz PSQPHGQMORNGPI-HZPDHXFCSA-N 2 0 295.471 2.194 10 0 CEAERP FC1(F)CCCC[C@@H]1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381590741 395175724 /nfs/dbraw/zinc/17/57/24/395175724.db2.gz DMJBUIIYPFPFCU-XQQFMLRXSA-N 2 0 258.356 2.496 10 0 CEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000181742088 395222765 /nfs/dbraw/zinc/22/27/65/395222765.db2.gz FPOCOMUCQRAIGJ-PMPSAXMXSA-N 2 0 268.445 2.392 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)C[C@@H]12 ZINC000394502009 400549989 /nfs/dbraw/zinc/54/99/89/400549989.db2.gz RCESKRBSDBLXHU-FDYHWXHSSA-N 2 0 258.356 2.481 10 0 CEAERP COc1cc(Br)ccc1[C@H]([NH3+])CCC[NH3+] ZINC000575438795 400609848 /nfs/dbraw/zinc/60/98/48/400609848.db2.gz APNWICJHZKDAGE-SNVBAGLBSA-N 2 0 273.174 2.196 10 0 CEAERP C[C@@H]1CCC[C@@](CNc2cc[nH+]cc2C(N)=O)([NH+](C)C)C1 ZINC000302210793 154186868 /nfs/dbraw/zinc/18/68/68/154186868.db2.gz GNKLSWXMQQHLCZ-MLGOLLRUSA-N 2 0 290.411 2.103 10 0 CEAERP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000183176166 165385842 /nfs/dbraw/zinc/38/58/42/165385842.db2.gz IGQUKFMSTQJJGF-OAHLLOKOSA-N 2 0 287.411 2.461 10 0 CEAERP Cc1cc(Cl)ccc1OC[C@H](CC[NH3+])[NH+](C)C ZINC000020401669 171182472 /nfs/dbraw/zinc/18/24/72/171182472.db2.gz XKOCSHYJLCUAAN-LBPRGKRZSA-N 2 0 256.777 2.306 10 0 CEAERP CC[NH+](CC)CCCC(=O)Nc1ccccc1C[NH3+] ZINC000022156539 171363168 /nfs/dbraw/zinc/36/31/68/171363168.db2.gz ASPUAPWQKRWNHI-UHFFFAOYSA-N 2 0 263.385 2.206 10 0 CEAERP C[NH+](C)CCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661847 172339385 /nfs/dbraw/zinc/33/93/85/172339385.db2.gz JQNAYGGLWXIPAX-UHFFFAOYSA-N 2 0 263.168 2.393 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)CC(=O)OC ZINC000035748190 172395953 /nfs/dbraw/zinc/39/59/53/172395953.db2.gz DCVVRNOSILQJIW-QWHCGFSZSA-N 2 0 258.406 2.038 10 0 CEAERP CC(C)COCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221364 173040151 /nfs/dbraw/zinc/04/01/51/173040151.db2.gz IXFAWWLAIWCWDW-HUUCEWRRSA-N 2 0 256.434 2.369 10 0 CEAERP C[C@@H](C[NH2+]Cc1ccccc1Cl)N1CC[NH+](C)CC1 ZINC000040165694 174197592 /nfs/dbraw/zinc/19/75/92/174197592.db2.gz XADRZJUALVZLEV-ZDUSSCGKSA-N 2 0 281.831 2.066 10 0 CEAERP CCOC1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000040678499 174374558 /nfs/dbraw/zinc/37/45/58/174374558.db2.gz JMXXDVZRDXMIGS-DZGCQCFKSA-N 2 0 254.418 2.395 10 0 CEAERP CCOC1CC[NH+](C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000040678537 174374801 /nfs/dbraw/zinc/37/48/01/174374801.db2.gz JIAURBZXNLMTFW-HNNXBMFYSA-N 2 0 262.397 2.230 10 0 CEAERP [NH3+]C[C@@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693649 174377265 /nfs/dbraw/zinc/37/72/65/174377265.db2.gz KPCPHLOJFRURCN-DOTOQJQBSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@@H](CC(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694097 174377723 /nfs/dbraw/zinc/37/77/23/174377723.db2.gz WFGCMXPQFDYDSP-ZDUSSCGKSA-N 2 0 266.433 2.041 10 0 CEAERP CC[C@@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693871 174377833 /nfs/dbraw/zinc/37/78/33/174377833.db2.gz HUEVLHCICYJHDN-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(F)c1 ZINC000040750226 174394762 /nfs/dbraw/zinc/39/47/62/174394762.db2.gz GNCIYSHMNCJUIE-LQDVMPOASA-N 2 0 291.370 2.108 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H](CO)CC(C)C)CC1 ZINC000040775337 174402803 /nfs/dbraw/zinc/40/28/03/174402803.db2.gz LUFSPWBZPUKXAF-GOEBONIOSA-N 2 0 270.461 2.494 10 0 CEAERP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400985198 414748824 /nfs/dbraw/zinc/74/88/24/414748824.db2.gz YHODIXOLWQPBAZ-KQTLUZQSSA-N 2 0 272.392 2.488 10 0 CEAERP CC(C)(C)[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000042463221 174752426 /nfs/dbraw/zinc/75/24/26/174752426.db2.gz DRQGORCUPPVSBP-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335713 175010929 /nfs/dbraw/zinc/01/09/29/175010929.db2.gz YJALSJBINKGDEM-GXTWGEPZSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340029 175013857 /nfs/dbraw/zinc/01/38/57/175013857.db2.gz UYGQAYURGMTQDQ-GOEBONIOSA-N 2 0 290.455 2.276 10 0 CEAERP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000043810627 175109742 /nfs/dbraw/zinc/10/97/42/175109742.db2.gz MHFCEGQPCCIJMD-PBHICJAKSA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(CC)cc1 ZINC000043810855 175110374 /nfs/dbraw/zinc/11/03/74/175110374.db2.gz CCMQCIWTVNDKFF-KRWDZBQOSA-N 2 0 275.440 2.147 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043811074 175110434 /nfs/dbraw/zinc/11/04/34/175110434.db2.gz WVZYJQMQDJOQST-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C)CC1 ZINC000043810929 175110465 /nfs/dbraw/zinc/11/04/65/175110465.db2.gz DMRQSNJSDUFAGK-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897238 175119890 /nfs/dbraw/zinc/11/98/90/175119890.db2.gz SOXBNYSVCNHVBE-PBHICJAKSA-N 2 0 275.440 2.362 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897208 175119910 /nfs/dbraw/zinc/11/99/10/175119910.db2.gz WYRKVOVEBFGDFA-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043915641 175124986 /nfs/dbraw/zinc/12/49/86/175124986.db2.gz YOWFHWWYURSQNO-GFCCVEGCSA-N 2 0 266.385 2.054 10 0 CEAERP CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982048 175283528 /nfs/dbraw/zinc/28/35/28/175283528.db2.gz YKLSMQGZZOLZTI-SOUVJXGZSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+](C)CC(C)(C)C ZINC000045068456 175299894 /nfs/dbraw/zinc/29/98/94/175299894.db2.gz JSCMFFNIURGUBH-LBPRGKRZSA-N 2 0 277.412 2.450 10 0 CEAERP CC[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045113993 175310858 /nfs/dbraw/zinc/31/08/58/175310858.db2.gz JBFZYUFFIMZWJM-STQMWFEESA-N 2 0 292.427 2.429 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134848 175312551 /nfs/dbraw/zinc/31/25/51/175312551.db2.gz BLDVKKFTWHMAFN-OAHLLOKOSA-N 2 0 268.445 2.392 10 0 CEAERP CC[C@@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136104 175313372 /nfs/dbraw/zinc/31/33/72/175313372.db2.gz FSDHSVFNMKMBTR-NWDGAFQWSA-N 2 0 255.431 2.188 10 0 CEAERP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c1C ZINC000045171422 175321160 /nfs/dbraw/zinc/32/11/60/175321160.db2.gz HDNZNXUBUOVSEB-BXUZGUMPSA-N 2 0 264.417 2.122 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379159 175368468 /nfs/dbraw/zinc/36/84/68/175368468.db2.gz BGYIYFKIAKSOLQ-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381310 175370099 /nfs/dbraw/zinc/37/00/99/175370099.db2.gz NCDSJSYXQRVXCO-ZFWWWQNUSA-N 2 0 271.449 2.131 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C(CC)CC ZINC000045391559 175374392 /nfs/dbraw/zinc/37/43/92/175374392.db2.gz WJDPTXGBMDAXIN-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP C[C@H]1C[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCO1 ZINC000070368286 175897966 /nfs/dbraw/zinc/89/79/66/175897966.db2.gz JGVRWZGXDKKKSR-QEJZJMRPSA-N 2 0 252.402 2.018 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037923 176026473 /nfs/dbraw/zinc/02/64/73/176026473.db2.gz MIGVNENAYVXVNP-HOTGVXAUSA-N 2 0 295.471 2.240 10 0 CEAERP CC[NH2+][C@H]1CCCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038093 176026544 /nfs/dbraw/zinc/02/65/44/176026544.db2.gz DZOAUUQCUIVUKD-GJZGRUSLSA-N 2 0 283.460 2.097 10 0 CEAERP CC[N@H+](C[C@@H](C)C[NH3+])C[C@@H]1OCCc2ccccc21 ZINC000071044790 176029832 /nfs/dbraw/zinc/02/98/32/176029832.db2.gz IMAPHLYMHKOGEB-BBRMVZONSA-N 2 0 262.397 2.217 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000071123893 176035098 /nfs/dbraw/zinc/03/50/98/176035098.db2.gz KHWSCCJYFKKDGO-NVXWUHKLSA-N 2 0 279.472 2.312 10 0 CEAERP CCCC[C@H](CC)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150924 176044896 /nfs/dbraw/zinc/04/48/96/176044896.db2.gz AOQWWMVFYANVET-HNNXBMFYSA-N 2 0 255.450 2.040 10 0 CEAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188952 176063303 /nfs/dbraw/zinc/06/33/03/176063303.db2.gz YCIUODDSONHDOM-KLHDSHLOSA-N 2 0 267.461 2.022 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000071188730 176064002 /nfs/dbraw/zinc/06/40/02/176064002.db2.gz BFMZQFBQSASDJG-QGTPRVQTSA-N 2 0 287.451 2.275 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190068 176065781 /nfs/dbraw/zinc/06/57/81/176065781.db2.gz GWFLSGXPGCGHQQ-ZDUSSCGKSA-N 2 0 279.403 2.323 10 0 CEAERP CCCC1(C[N@H+](C)C[C@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190949 176067419 /nfs/dbraw/zinc/06/74/19/176067419.db2.gz IMOZPMYKEOZMDY-HNNXBMFYSA-N 3 0 267.461 2.040 10 0 CEAERP C[N@@H+](Cc1ccc2c(c1)CCN2)C[C@H]1CC[NH+](C)C1 ZINC000071190884 176067426 /nfs/dbraw/zinc/06/74/26/176067426.db2.gz JGWSZZOLDVFBDX-AWEZNQCLSA-N 2 0 259.397 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191309 176069515 /nfs/dbraw/zinc/06/95/15/176069515.db2.gz SGKOAYISVMIRBV-PMPSAXMXSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC000071191262 176070354 /nfs/dbraw/zinc/07/03/54/176070354.db2.gz KAKFHANRMFQYAG-PBHICJAKSA-N 2 0 293.430 2.360 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1 ZINC000071191924 176071419 /nfs/dbraw/zinc/07/14/19/176071419.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 3 0 275.440 2.180 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192074 176073331 /nfs/dbraw/zinc/07/33/31/176073331.db2.gz RCUKHEOMODACEU-OAHLLOKOSA-N 2 0 293.455 2.470 10 0 CEAERP CCC[NH2+][C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198140 176077087 /nfs/dbraw/zinc/07/70/87/176077087.db2.gz MLUBGTVNDIRPMN-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071201509 176078156 /nfs/dbraw/zinc/07/81/56/176078156.db2.gz UNQPAYRIAPPGOU-ZBFHGGJFSA-N 2 0 265.445 2.077 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1c(C)cc(C)cc1C ZINC000071224351 176088412 /nfs/dbraw/zinc/08/84/12/176088412.db2.gz BGCJIEOLHFQKOL-UHFFFAOYSA-N 2 0 264.413 2.409 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1ccc2ncccc2c1 ZINC000071224732 176089004 /nfs/dbraw/zinc/08/90/04/176089004.db2.gz BNEAQLRJXOGSHO-UHFFFAOYSA-N 2 0 273.380 2.032 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071268009 176101721 /nfs/dbraw/zinc/10/17/21/176101721.db2.gz YWQYEJLZMHECGA-GFCCVEGCSA-N 2 0 292.402 2.026 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000071335986 176127666 /nfs/dbraw/zinc/12/76/66/176127666.db2.gz NNPAQTSKRJJRKB-UHFFFAOYSA-N 2 0 299.459 2.316 10 0 CEAERP COCC[NH2+]Cc1cc(C)ccc1OCC[NH+]1CCCC1 ZINC000071407454 176156128 /nfs/dbraw/zinc/15/61/28/176156128.db2.gz PMSQDLLNFYXJNQ-UHFFFAOYSA-N 2 0 292.423 2.206 10 0 CEAERP C[C@@H](C[NH3+])CN1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC000078626744 177362116 /nfs/dbraw/zinc/36/21/16/177362116.db2.gz DISHNCSTYNJPTM-HOTGVXAUSA-N 2 0 275.440 2.350 10 0 CEAERP CN(CCC[NH+](C)C)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079294423 177465867 /nfs/dbraw/zinc/46/58/67/177465867.db2.gz AURXJDOFEWRBHC-CQSZACIVSA-N 2 0 285.476 2.188 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293768 177466031 /nfs/dbraw/zinc/46/60/31/177466031.db2.gz MLBKBBZZIZKYEI-LSDHHAIUSA-N 2 0 297.487 2.330 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2CC(C)(C)CC[C@H]2[NH3+])CC1 ZINC000079672232 177535058 /nfs/dbraw/zinc/53/50/58/177535058.db2.gz PPFXRVJYRUBIHH-HZPDHXFCSA-N 2 0 281.488 2.414 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]([NH3+])C(C)C ZINC000136391927 419446804 /nfs/dbraw/zinc/44/68/04/419446804.db2.gz DYEPSSQHILIXKV-OAHLLOKOSA-N 2 0 285.476 2.186 10 0 CEAERP C[C@@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000667006705 419510544 /nfs/dbraw/zinc/51/05/44/419510544.db2.gz UXYYTFMLIWQBFR-ZBFHGGJFSA-N 2 0 262.397 2.181 10 0 CEAERP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000398363350 270358194 /nfs/dbraw/zinc/35/81/94/270358194.db2.gz YPIJGXRCHXTUSJ-NSHDSACASA-N 2 0 274.286 2.284 10 0 CEAERP c1ccc(CN2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000252791964 275067166 /nfs/dbraw/zinc/06/71/66/275067166.db2.gz UTOCBQHCPAXJMO-ZWKOTPCHSA-N 2 0 287.451 2.383 10 0 CEAERP CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245729504 280258632 /nfs/dbraw/zinc/25/86/32/280258632.db2.gz YILRSVIEIFJHRT-HZPDHXFCSA-N 2 0 297.487 2.345 10 0 CEAERP CCC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249089655 280383495 /nfs/dbraw/zinc/38/34/95/280383495.db2.gz CUKVBWHLPLCGGI-KBPBESRZSA-N 2 0 256.434 2.200 10 0 CEAERP Cc1ccc2[nH+]ccc(N3CCO[C@H](C[NH+](C)C)C3)c2c1 ZINC000185655199 281169634 /nfs/dbraw/zinc/16/96/34/281169634.db2.gz NLWGMSUFPCMIGF-CQSZACIVSA-N 2 0 285.391 2.310 10 0 CEAERP CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249368053 281292703 /nfs/dbraw/zinc/29/27/03/281292703.db2.gz MWEGKFLDMSLMDB-BPUTZDHNSA-N 2 0 266.429 2.096 10 0 CEAERP CCC(CC)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887093 322351596 /nfs/dbraw/zinc/35/15/96/322351596.db2.gz AESNDXGORFSZBG-BPUTZDHNSA-N 2 0 269.477 2.331 10 0 CEAERP Cc1ccnc(NCCC[NH2+]C(C)C)c1Br ZINC000581360205 322390113 /nfs/dbraw/zinc/39/01/13/322390113.db2.gz CDNUJOUHCRFNPN-UHFFFAOYSA-N 2 0 286.217 2.374 10 0 CEAERP CC(C)C[N@H+](CCN(C)C)Cc1cc(F)ccc1C[NH3+] ZINC000069401474 519717040 /nfs/dbraw/zinc/71/70/40/519717040.db2.gz FOICFLMXJSEEPA-UHFFFAOYSA-N 2 0 281.419 2.304 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372380 519724349 /nfs/dbraw/zinc/72/43/49/519724349.db2.gz MTWBMKMJDRAUTD-MRXNPFEDSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCCC2)O1 ZINC000052671037 519725833 /nfs/dbraw/zinc/72/58/33/519725833.db2.gz OBSXTIHLZXQREI-HZPDHXFCSA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673644 519725914 /nfs/dbraw/zinc/72/59/14/519725914.db2.gz GMKDMHJULCUCKY-XHSDSOJGSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371165 519745234 /nfs/dbraw/zinc/74/52/34/519745234.db2.gz XGXWSRIRCXYUPS-GJZGRUSLSA-N 2 0 286.485 2.219 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653546 519912196 /nfs/dbraw/zinc/91/21/96/519912196.db2.gz DGQREXKHLIDLMG-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@@H](C)COC ZINC000052572413 519911946 /nfs/dbraw/zinc/91/19/46/519911946.db2.gz LOVHHWNBLXVAGR-HNNXBMFYSA-N 2 0 274.449 2.140 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074703 519920485 /nfs/dbraw/zinc/92/04/85/519920485.db2.gz KYFYZGTWASWYBQ-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053733 520213472 /nfs/dbraw/zinc/21/34/72/520213472.db2.gz IRGCYPMAPIQLIH-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239952 520958212 /nfs/dbraw/zinc/95/82/12/520958212.db2.gz FVDPHRDUQZMSOC-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])CCc1ccccc1 ZINC000061625100 521657844 /nfs/dbraw/zinc/65/78/44/521657844.db2.gz LLIWENLMERYKGC-QGZVFWFLSA-N 2 0 277.456 2.220 10 0 CEAERP CCN1CC[NH+]([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052422445 521690923 /nfs/dbraw/zinc/69/09/23/521690923.db2.gz OMXYUHPIPAUTHY-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477572 522193509 /nfs/dbraw/zinc/19/35/09/522193509.db2.gz UPVGLQXURAHUTL-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000400412324 533809051 /nfs/dbraw/zinc/80/90/51/533809051.db2.gz UKNDUZSHAZJHDC-RDJZCZTQSA-N 2 0 287.451 2.239 10 0 CEAERP C[C@H]([NH2+]CCCn1cnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400462898 533854623 /nfs/dbraw/zinc/85/46/23/533854623.db2.gz VCEQYFSFHCRQLA-UONOGXRCSA-N 2 0 272.396 2.014 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)CCC2CCC([NH3+])CC2)CC1 ZINC000055141112 518709415 /nfs/dbraw/zinc/70/94/15/518709415.db2.gz BTBRTCPBCBQOSS-UHFFFAOYSA-N 2 0 295.471 2.227 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016544 518713758 /nfs/dbraw/zinc/71/37/58/518713758.db2.gz ZLVUREDEQGXCGD-MRXNPFEDSA-N 2 0 275.440 2.493 10 0 CEAERP CC(C)(C)[NH2+]CCCC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540103 518754586 /nfs/dbraw/zinc/75/45/86/518754586.db2.gz AUBBGVPDIJMLIL-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)(C)[NH2+]CCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062973442 518755533 /nfs/dbraw/zinc/75/55/33/518755533.db2.gz PFEZYMUMDYDALA-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH+](CCN1CC[C@@H](C[NH2+]C2CC2)C1)C(C)C ZINC000053010841 519646031 /nfs/dbraw/zinc/64/60/31/519646031.db2.gz ZLTPFBRIABUFOR-HNNXBMFYSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052503248 519716695 /nfs/dbraw/zinc/71/66/95/519716695.db2.gz IITCNBDSGOJSQC-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182188 519720207 /nfs/dbraw/zinc/72/02/07/519720207.db2.gz MQSWHLPLVXLQDK-CQSZACIVSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055076069 519726199 /nfs/dbraw/zinc/72/61/99/519726199.db2.gz YEMDPQMVEKASBB-UHFFFAOYSA-N 2 0 295.496 2.154 10 0 CEAERP CC(C)[NH2+]Cc1cccc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000052371288 519727238 /nfs/dbraw/zinc/72/72/38/519727238.db2.gz PVZMLJMKAZVAJO-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN1CC[NH+](CC2CC2)CC1 ZINC000052372442 519728053 /nfs/dbraw/zinc/72/80/53/519728053.db2.gz YBEANOGWORWFDE-UHFFFAOYSA-N 2 0 291.439 2.305 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973638 519746078 /nfs/dbraw/zinc/74/60/78/519746078.db2.gz BFPGJVOHAFVXQL-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(COCC[NH+](C)C)o1 ZINC000052669571 519747007 /nfs/dbraw/zinc/74/70/07/519747007.db2.gz VIZRKEPKYPQPIY-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)NC1CC[NH+](C(C)C)CC1 ZINC000049195238 519793535 /nfs/dbraw/zinc/79/35/35/519793535.db2.gz GJZVHLXSOWQLBT-OAHLLOKOSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000050950229 519815335 /nfs/dbraw/zinc/81/53/35/519815335.db2.gz INIUZAINGSGGKE-HOTGVXAUSA-N 2 0 295.471 2.145 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049553840 519847798 /nfs/dbraw/zinc/84/77/98/519847798.db2.gz BNSUAOJHMNJGPA-HUUCEWRRSA-N 3 0 269.477 2.427 10 0 CEAERP CCC1CC[NH+](CC2(C[NH2+]C)CCOCC2)CC1 ZINC000052197908 519859292 /nfs/dbraw/zinc/85/92/92/519859292.db2.gz HBNNDKLSAGUSHP-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCCC1 ZINC000054629745 519910578 /nfs/dbraw/zinc/91/05/78/519910578.db2.gz QMHDKJMWUAYOSG-XYTVBORESA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH2+]CC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083095 519919480 /nfs/dbraw/zinc/91/94/80/519919480.db2.gz MXPHKZVWDLRDSE-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515384 519919850 /nfs/dbraw/zinc/91/98/50/519919850.db2.gz AMNGYNYUHUHBSY-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571553 519920676 /nfs/dbraw/zinc/92/06/76/519920676.db2.gz YIRQJYCCBQXSNJ-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C[C@@H]1CCN(CCC[NH+](CC)CC)C1 ZINC000053012713 519922402 /nfs/dbraw/zinc/92/24/02/519922402.db2.gz ILGGJNJPBGBIBW-HNNXBMFYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]Cc1ccc(C[NH+](CCOC)CCOC)cc1 ZINC000052571474 519947392 /nfs/dbraw/zinc/94/73/92/519947392.db2.gz XLPQZDQQYCXCTJ-UHFFFAOYSA-N 2 0 294.439 2.281 10 0 CEAERP CCC[NH2+]Cc1ccccc1OCC[N@H+](C)CCOC ZINC000052572845 519957020 /nfs/dbraw/zinc/95/70/20/519957020.db2.gz SCRRHQXPBIQOGT-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]C[C@H](OCCC[NH+](C)C)c1ccccc1 ZINC000052672705 519972622 /nfs/dbraw/zinc/97/26/22/519972622.db2.gz JTSUDRQWSAYPOL-HNNXBMFYSA-N 2 0 250.386 2.306 10 0 CEAERP CCC[NH2+][C@@H](CC)CN1CC[NH+](CC(C)C)CC1 ZINC000055078682 519990426 /nfs/dbraw/zinc/99/04/26/519990426.db2.gz KKIRGXMFUGRFOH-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]Cc1ccc(COCC[NH+]2CCCC2)cc1 ZINC000052670425 519998600 /nfs/dbraw/zinc/99/86/00/519998600.db2.gz BTFQVGUKMVAZGH-UHFFFAOYSA-N 2 0 262.397 2.409 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+]([C@H](C)CC)CC2)nc1C ZINC000055076551 520035129 /nfs/dbraw/zinc/03/51/29/520035129.db2.gz MHMDRNXDOSBADZ-GFCCVEGCSA-N 2 0 296.484 2.482 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000053859759 520091785 /nfs/dbraw/zinc/09/17/85/520091785.db2.gz HORLJJZHGDZIRM-RDJZCZTQSA-N 2 0 279.472 2.325 10 0 CEAERP CCNc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cn1 ZINC000050815617 520301505 /nfs/dbraw/zinc/30/15/05/520301505.db2.gz YDQQSHOHICWVMI-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CCCC[NH2+]C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062974234 520691977 /nfs/dbraw/zinc/69/19/77/520691977.db2.gz NHCVPNGVKBGRTL-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CCC[NH2+]C(C)(C)C)C1 ZINC000062967725 520872345 /nfs/dbraw/zinc/87/23/45/520872345.db2.gz LPBXVBRHNWLYKQ-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C)CC[NH2+]CC(C)C)C1 ZINC000062972190 520874097 /nfs/dbraw/zinc/87/40/97/520874097.db2.gz NKGPGJGCJRJFCT-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896834 520942338 /nfs/dbraw/zinc/94/23/38/520942338.db2.gz AVRDMCBJJQROMU-NVXWUHKLSA-N 2 0 295.471 2.004 10 0 CEAERP CC[N@H+](C[C@@H]1CCCO1)CC1(CC)CC[NH2+]CC1 ZINC000062850875 521225682 /nfs/dbraw/zinc/22/56/82/521225682.db2.gz ZNENSOYHSCJSRF-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC[N@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182550 521226259 /nfs/dbraw/zinc/22/62/59/521226259.db2.gz CBTXYLPTSLTIGU-INIZCTEOSA-N 2 0 296.455 2.036 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]CC(C)C)no1)C1CC1 ZINC000052451995 521290992 /nfs/dbraw/zinc/29/09/92/521290992.db2.gz DOJJPBLWEGFVIE-UHFFFAOYSA-N 2 0 251.374 2.405 10 0 CEAERP CCC(CC)(C[NH2+]C(C)(C)C)C[N@@H+]1CC[C@H](O)C1 ZINC000061711751 521440079 /nfs/dbraw/zinc/44/00/79/521440079.db2.gz GYWMRLOEGHKUFK-ZDUSSCGKSA-N 2 0 256.434 2.248 10 0 CEAERP CCN1CCC([N@H+](C)Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000052544051 521564083 /nfs/dbraw/zinc/56/40/83/521564083.db2.gz MLPFKSCGBMVBAW-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000052543974 521565493 /nfs/dbraw/zinc/56/54/93/521565493.db2.gz LRKQNBLDELTPHC-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055017321 521567073 /nfs/dbraw/zinc/56/70/73/521567073.db2.gz GDERUCAAAOAKMC-KRWDZBQOSA-N 2 0 275.440 2.493 10 0 CEAERP CC[NH+]1CCC(N(C)c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000054908115 521569727 /nfs/dbraw/zinc/56/97/27/521569727.db2.gz FHJGAMSZIMCJCQ-NSHDSACASA-N 2 0 282.457 2.344 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484089 521656229 /nfs/dbraw/zinc/65/62/29/521656229.db2.gz LANLARQSKYOCCU-HOTGVXAUSA-N 2 0 284.444 2.033 10 0 CEAERP CC[NH+]1CCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052422308 521690076 /nfs/dbraw/zinc/69/00/76/521690076.db2.gz FEINOCISGNBIJN-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CCC(C)(C)C ZINC000061655221 521839061 /nfs/dbraw/zinc/83/90/61/521839061.db2.gz KPZQTRMSVDHBPG-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C[NH2+]C2CC2)o1 ZINC000061654493 521841127 /nfs/dbraw/zinc/84/11/27/521841127.db2.gz ZYNAAXBREIVOFF-AWEZNQCLSA-N 2 0 277.412 2.058 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000052203569 521953348 /nfs/dbraw/zinc/95/33/48/521953348.db2.gz UTTZUAUGQPSVLH-KRWDZBQOSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)o1 ZINC000052573493 522117821 /nfs/dbraw/zinc/11/78/21/522117821.db2.gz CZNSUKHMWKPDAZ-UHFFFAOYSA-N 2 0 277.412 2.059 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)C(C)C)CC1 ZINC000055075015 522120984 /nfs/dbraw/zinc/12/09/84/522120984.db2.gz DXLDMYGLRRGGSZ-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063762 522130716 /nfs/dbraw/zinc/13/07/16/522130716.db2.gz XYWINYJDFLLRBJ-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074861 522131292 /nfs/dbraw/zinc/13/12/92/522131292.db2.gz COSMQQBCHYXYEI-HUUCEWRRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(C[NH2+]C)n2)CC1 ZINC000055073612 522135483 /nfs/dbraw/zinc/13/54/83/522135483.db2.gz CXMOJFKPDMNAJA-GFCCVEGCSA-N 2 0 296.846 2.375 10 0 CEAERP C[NH2+]Cc1ccccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573551 522136486 /nfs/dbraw/zinc/13/64/86/522136486.db2.gz WYHWJSVCBMVNNC-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CN(C)c1cc[nH+]cc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050943712 522310852 /nfs/dbraw/zinc/31/08/52/522310852.db2.gz LZXGQYKOVPIHFY-LBPRGKRZSA-N 2 0 276.384 2.008 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642245 522339790 /nfs/dbraw/zinc/33/97/90/522339790.db2.gz DMXDTUPIVQHWNL-YCPHGPKFSA-N 2 0 279.428 2.392 10 0 CEAERP C[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C(C)(C)C ZINC000062979535 522354625 /nfs/dbraw/zinc/35/46/25/522354625.db2.gz ASNGULFWPPAMDE-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484180 522545953 /nfs/dbraw/zinc/54/59/53/522545953.db2.gz RDDCYFFAYYHLGX-INIZCTEOSA-N 2 0 279.472 2.467 10 0 CEAERP C[N@H+](CC1(C[NH2+]C(C)(C)C)CCOCC1)C1CCOCC1 ZINC000052181925 522592256 /nfs/dbraw/zinc/59/22/56/522592256.db2.gz YJHWSQZGVNSJCS-UHFFFAOYSA-N 2 0 298.471 2.282 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977302 522653259 /nfs/dbraw/zinc/65/32/59/522653259.db2.gz NQZNOAVHPRRITQ-BBWFWOEESA-N 2 0 290.455 2.276 10 0 CEAERP COC1CC[NH+](Cc2ccoc2C[NH2+]C(C)C)CC1 ZINC000052455244 522707995 /nfs/dbraw/zinc/70/79/95/522707995.db2.gz QXHPGZIJKUDQBN-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964800 523087877 /nfs/dbraw/zinc/08/78/77/523087877.db2.gz PEPAPUDQHDDHCJ-HRCADAONSA-N 2 0 261.413 2.101 10 0 CEAERP COCCC[N@H+](CCCC[NH2+]C(C)(C)C)CCOC ZINC000052543181 523242000 /nfs/dbraw/zinc/24/20/00/523242000.db2.gz BFLWAGIVKUNITL-UHFFFAOYSA-N 2 0 274.449 2.140 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653497 523463437 /nfs/dbraw/zinc/46/34/37/523463437.db2.gz PYPGECKHMLAXTO-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN1CC[NH+](CC(C)C)CC1 ZINC000055081756 523464387 /nfs/dbraw/zinc/46/43/87/523464387.db2.gz ZOUNCVIHJGFUIP-QGZVFWFLSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571023 523505140 /nfs/dbraw/zinc/50/51/40/523505140.db2.gz OAECVRKDRFGJCE-GOEBONIOSA-N 2 0 292.423 2.284 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789178 523821648 /nfs/dbraw/zinc/82/16/48/523821648.db2.gz YQTSYKNAJAPKHH-LLVKDONJSA-N 2 0 281.787 2.487 10 0 CEAERP COCC[NH2+]Cc1cc(Cl)ccc1OCC[NH+](C)C ZINC000062730997 523948367 /nfs/dbraw/zinc/94/83/67/523948367.db2.gz MBPGZWCDVPUAII-UHFFFAOYSA-N 2 0 286.803 2.016 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCc2ccsc2)CC1 ZINC000055075480 523954701 /nfs/dbraw/zinc/95/47/01/523954701.db2.gz VDRHADNDNBOBMG-HNNXBMFYSA-N 2 0 295.496 2.296 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063994 523957632 /nfs/dbraw/zinc/95/76/32/523957632.db2.gz KCECECIUHPOVGD-BBRMVZONSA-N 2 0 279.403 2.242 10 0 CEAERP C[NH+](C)CC1CCN([C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625004 524050148 /nfs/dbraw/zinc/05/01/48/524050148.db2.gz VGNGKTQDZHZESO-SFHVURJKSA-N 2 0 289.467 2.220 10 0 CEAERP C[C@@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052180801 524219419 /nfs/dbraw/zinc/21/94/19/524219419.db2.gz YCVNKYXROCYFKG-CQSZACIVSA-N 2 0 266.429 2.267 10 0 CEAERP C[C@H](CNCC[C@H]1CCCC[N@@H+]1C)[NH+]1CCCCC1 ZINC000052206195 524485478 /nfs/dbraw/zinc/48/54/78/524485478.db2.gz HXALIZKWYXZSRG-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654747 524498775 /nfs/dbraw/zinc/49/87/75/524498775.db2.gz WNNYEJKSUBIDCW-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H]1CC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125527 524557283 /nfs/dbraw/zinc/55/72/83/524557283.db2.gz QZMRSUKXUBXGFQ-QXSJWSMHSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](C[NH2+]C1CCCCC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655064 524736315 /nfs/dbraw/zinc/73/63/15/524736315.db2.gz SLUAVPKIAVLMLM-GOEBONIOSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)c1 ZINC000062963978 524885018 /nfs/dbraw/zinc/88/50/18/524885018.db2.gz WRJNIVICKJMUOQ-KBMXLJTQSA-N 2 0 261.413 2.019 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000063051162 525004382 /nfs/dbraw/zinc/00/43/82/525004382.db2.gz ZJSJRYBOOSSXCN-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642147 525006962 /nfs/dbraw/zinc/00/69/62/525006962.db2.gz PRMOUYBHCYUCSW-BZPMIXESSA-N 2 0 267.442 2.162 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940078 525015907 /nfs/dbraw/zinc/01/59/07/525015907.db2.gz JRLDYRDNYFSVOU-KBRIMQKVSA-N 2 0 291.414 2.384 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)ccc1F ZINC000050545840 525535557 /nfs/dbraw/zinc/53/55/57/525535557.db2.gz NOMLZDJYDOTDCB-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642062 525951441 /nfs/dbraw/zinc/95/14/41/525951441.db2.gz DHCQHUSJZWKWQG-OLZOCXBDSA-N 2 0 267.442 2.082 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062977468 525952309 /nfs/dbraw/zinc/95/23/09/525952309.db2.gz UMDVERIVUOKFQZ-IRXDYDNUSA-N 2 0 273.424 2.165 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055079035 525961112 /nfs/dbraw/zinc/96/11/12/525961112.db2.gz MRCQKNWUKSGABG-QGZVFWFLSA-N 2 0 275.440 2.268 10 0 CEAERP Cc1oc(C[N@H+](C)CCc2ccncc2)cc1C[NH3+] ZINC000052483087 526769316 /nfs/dbraw/zinc/76/93/16/526769316.db2.gz QMBZWOYKUZTUON-UHFFFAOYSA-N 2 0 259.353 2.116 10 0 CEAERP NC(=[NH2+])C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055022531 526818043 /nfs/dbraw/zinc/81/80/43/526818043.db2.gz VURIRHBENCPOER-HUUCEWRRSA-N 2 0 275.396 2.291 10 0 CEAERP CC[NH2+]Cc1cccc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000094443318 535479690 /nfs/dbraw/zinc/47/96/90/535479690.db2.gz RMFCFGRTIREVGQ-HOCLYGCPSA-N 2 0 288.439 2.254 10 0 CEAERP CC(C)[C@@H]1[NH2+][C@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142662 574510246 /nfs/dbraw/zinc/51/02/46/574510246.db2.gz DGASPWYKVFWDAY-DZGCQCFKSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)[C@H]1[NH2+][C@@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142689 574510301 /nfs/dbraw/zinc/51/03/01/574510301.db2.gz DGASPWYKVFWDAY-HIFRSBDPSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757145740 574510387 /nfs/dbraw/zinc/51/03/87/574510387.db2.gz QKLTUBVXQXIAFP-UONOGXRCSA-N 2 0 252.402 2.223 10 0 CEAERP CC[NH+]1CCC2(CC1)[NH2+][C@@H](C(C)C)C(C)(C)CO2 ZINC000757150350 574510730 /nfs/dbraw/zinc/51/07/30/574510730.db2.gz PMDGQJLGDQTARA-ZDUSSCGKSA-N 2 0 254.418 2.469 10 0 CEAERP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000262037200 629493141 /nfs/dbraw/zinc/49/31/41/629493141.db2.gz YBEUBNVAKNOLKG-KSZLIROESA-N 2 0 288.435 2.284 10 0 CEAERP Cc1ccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231669920 639872041 /nfs/dbraw/zinc/87/20/41/639872041.db2.gz SQGNXNWBSIMVNB-HNNXBMFYSA-N 2 0 262.397 2.448 10 0 CEAERP Brc1csc(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000070600553 641685725 /nfs/dbraw/zinc/68/57/25/641685725.db2.gz LDMCJBMGGJASSI-QMMMGPOBSA-N 2 0 275.215 2.210 10 0 CEAERP CC[NH+](CC)[C@H](CNC1CC[NH2+]CC1)c1ccccc1 ZINC000038040514 361985640 /nfs/dbraw/zinc/98/56/40/361985640.db2.gz QDYWHFMGXPJCDZ-QGZVFWFLSA-N 2 0 275.440 2.411 10 0 CEAERP CC1(C)CC[NH+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264624 539212791 /nfs/dbraw/zinc/21/27/91/539212791.db2.gz YRLGSMRWYVREDV-QWHCGFSZSA-N 2 0 252.402 2.005 10 0 CEAERP CCC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)[NH+](C)C ZINC000126337853 365706469 /nfs/dbraw/zinc/70/64/69/365706469.db2.gz GWJVXKCXUGMXKC-PMPSAXMXSA-N 2 0 295.471 2.190 10 0 CEAERP Cc1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cnn1C ZINC000336720594 365784987 /nfs/dbraw/zinc/78/49/87/365784987.db2.gz UILGGJYAAXGFCG-QGZVFWFLSA-N 2 0 298.434 2.340 10 0 CEAERP Cc1cc(N2CCO[C@@H]([C@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000228375079 539338632 /nfs/dbraw/zinc/33/86/32/539338632.db2.gz SIINFYDKINVCAI-BLLLJJGKSA-N 2 0 271.364 2.096 10 0 CEAERP CC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000311150903 344733162 /nfs/dbraw/zinc/73/31/62/344733162.db2.gz NCDLCBQIMXUGRO-NRXISQOPSA-N 2 0 254.418 2.002 10 0 CEAERP Cc1ccc(C[N@H+](C)C[C@H]2CCc3nccn3C2)nc1 ZINC000328656154 344757984 /nfs/dbraw/zinc/75/79/84/344757984.db2.gz ZBBOMHWKVATIPP-CQSZACIVSA-N 2 0 270.380 2.281 10 0 CEAERP COc1cccc([C@@]23CC[N@H+](C)[C@@H](C[C@@H]([NH3+])C2)C3)c1 ZINC000584624859 344968352 /nfs/dbraw/zinc/96/83/52/344968352.db2.gz FSEJGVIGKUJPSS-YCPHGPKFSA-N 2 0 260.381 2.148 10 0 CEAERP CCC1(CC)CC[NH+](CCC[C@@](C)([NH3+])CO)CC1 ZINC000085213520 178977071 /nfs/dbraw/zinc/97/70/71/178977071.db2.gz NIYUZODWLGYVMH-CQSZACIVSA-N 2 0 256.434 2.379 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364037 179035464 /nfs/dbraw/zinc/03/54/64/179035464.db2.gz XFTRLNGOADSYGF-CABCVRRESA-N 2 0 275.396 2.204 10 0 CEAERP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000085385186 179046746 /nfs/dbraw/zinc/04/67/46/179046746.db2.gz VKHDYUBBXVXZDU-QEJZJMRPSA-N 2 0 266.429 2.264 10 0 CEAERP CCCc1nc2c(n1CC(C)(C)C[NH+](C)C)CC[NH2+]C2 ZINC000085568345 179095364 /nfs/dbraw/zinc/09/53/64/179095364.db2.gz HSADITNOOROXRV-UHFFFAOYSA-N 2 0 278.444 2.069 10 0 CEAERP CC(C)(C)c1nc2c(n1CCC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572286 179097322 /nfs/dbraw/zinc/09/73/22/179097322.db2.gz VLMMJVYBBAUZHA-UHFFFAOYSA-N 2 0 290.455 2.312 10 0 CEAERP CC(C)Cc1nc2c(n1CC1CC[NH+](C)CC1)CC[NH2+]C2 ZINC000085573527 179099339 /nfs/dbraw/zinc/09/93/39/179099339.db2.gz OLWDIXQLRFTOKD-UHFFFAOYSA-N 2 0 290.455 2.069 10 0 CEAERP CC[C@H](C)[C@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086153924 179240267 /nfs/dbraw/zinc/24/02/67/179240267.db2.gz UEUNCYALEUPNRU-XHSDSOJGSA-N 2 0 269.477 2.283 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086173176 179244536 /nfs/dbraw/zinc/24/45/36/179244536.db2.gz QHBRIFDADILKFT-HOCLYGCPSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@H](c3ccccc3)C2)CC1 ZINC000086145725 179238846 /nfs/dbraw/zinc/23/88/46/179238846.db2.gz KGAZNWSCDHYSPJ-SFHVURJKSA-N 2 0 287.451 2.365 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@@](C)(c3ccccc3)C2)C1 ZINC000086145745 179239136 /nfs/dbraw/zinc/23/91/36/179239136.db2.gz JBQKDJPNUOPXAF-SJLPKXTDSA-N 2 0 287.451 2.149 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217883 179250072 /nfs/dbraw/zinc/25/00/72/179250072.db2.gz CJWRHOQCJOBSSB-JKSUJKDBSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223043 179250568 /nfs/dbraw/zinc/25/05/68/179250568.db2.gz QULBKMIHSUVPOB-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223957 179253395 /nfs/dbraw/zinc/25/33/95/179253395.db2.gz HMRFOEJLMKOTKM-UAGQMJEPSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223959 179253931 /nfs/dbraw/zinc/25/39/31/179253931.db2.gz HMRFOEJLMKOTKM-USXIJHARSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259357 179257710 /nfs/dbraw/zinc/25/77/10/179257710.db2.gz FNJLZPVCPZPIQI-CABCVRRESA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259116 179258618 /nfs/dbraw/zinc/25/86/18/179258618.db2.gz DQKNOGUFTROAKU-SJORKVTESA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)C[C@H]1CN(CCCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086261094 179259894 /nfs/dbraw/zinc/25/98/94/179259894.db2.gz WPNYUGXJJKQMEG-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260736 179260163 /nfs/dbraw/zinc/26/01/63/179260163.db2.gz ASKZXNSRNVONQU-HZPDHXFCSA-N 2 0 281.488 2.425 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086288657 179264999 /nfs/dbraw/zinc/26/49/99/179264999.db2.gz XNSAPQJDHSVOEJ-INIZCTEOSA-N 2 0 279.472 2.326 10 0 CEAERP C[N@@H+]1CC[C@@H](CN2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288718 179265036 /nfs/dbraw/zinc/26/50/36/179265036.db2.gz DCRODKPRYUBNEW-WBVHZDCISA-N 2 0 279.472 2.182 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255750 179256644 /nfs/dbraw/zinc/25/66/44/179256644.db2.gz NYIKUNFHZDYTPY-ZNMIVQPWSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)C[C@H]1CN(CC2CC[NH+](C)CC2)[C@@H](C)C[NH2+]1 ZINC000086259071 179256782 /nfs/dbraw/zinc/25/67/82/179256782.db2.gz ZEKUCDVUGLFAGP-HOCLYGCPSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259010 179257126 /nfs/dbraw/zinc/25/71/26/179257126.db2.gz JDZGONGKYRXWRD-HZPDHXFCSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@H](C(C)C)C2)CC1 ZINC000086291543 179266141 /nfs/dbraw/zinc/26/61/41/179266141.db2.gz SGLDCSZXGAPRDS-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292994 179266304 /nfs/dbraw/zinc/26/63/04/179266304.db2.gz AITWLCAIYVXLJG-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CCC[NH2+][C@@](C)(C3CC3)C2)C1 ZINC000086293029 179266542 /nfs/dbraw/zinc/26/65/42/179266542.db2.gz SDULZPVDRKKBQG-NVXWUHKLSA-N 2 0 279.472 2.181 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CCC[NH2+]C2(CCCC2)C1 ZINC000086291695 179266858 /nfs/dbraw/zinc/26/68/58/179266858.db2.gz JBNLRPYGMYTSBA-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP C[NH+](C)CC1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443421 179293727 /nfs/dbraw/zinc/29/37/27/179293727.db2.gz GOOAPOCNNPNXCY-LBPRGKRZSA-N 2 0 294.468 2.257 10 0 CEAERP CC(C)[NH+](CCNC1=[NH+]C[C@@H](C)CS1)C(C)C ZINC000086632235 179314726 /nfs/dbraw/zinc/31/47/26/179314726.db2.gz RXFLGBLJFFDGJT-GFCCVEGCSA-N 2 0 257.447 2.434 10 0 CEAERP CN(Cc1cccc(F)c1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819258 179348619 /nfs/dbraw/zinc/34/86/19/179348619.db2.gz RRVWLYVWUQZPLL-MRXNPFEDSA-N 2 0 279.403 2.071 10 0 CEAERP C[NH+](C)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817200 179344537 /nfs/dbraw/zinc/34/45/37/179344537.db2.gz RWQZACIQPPRCGH-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CCC(CC)[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817433 179344589 /nfs/dbraw/zinc/34/45/89/179344589.db2.gz AAABTIGNWLUIFL-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2scnc2C)CC1 ZINC000086848807 179356765 /nfs/dbraw/zinc/35/67/65/179356765.db2.gz IHZONIPQRZZCCB-OAHLLOKOSA-N 2 0 296.484 2.087 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)CC1 ZINC000086836705 179351670 /nfs/dbraw/zinc/35/16/70/179351670.db2.gz GGWIIWWGSYUUET-CVEARBPZSA-N 2 0 284.444 2.036 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843355 179353216 /nfs/dbraw/zinc/35/32/16/179353216.db2.gz AOBGCPQRRYTECS-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841979 179353938 /nfs/dbraw/zinc/35/39/38/179353938.db2.gz IJRVVUULCVGYGO-GJZGRUSLSA-N 2 0 283.460 2.144 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848901 179358529 /nfs/dbraw/zinc/35/85/29/179358529.db2.gz ABLBTGWGTRIJCY-ZNMIVQPWSA-N 2 0 285.501 2.016 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000086891365 179366305 /nfs/dbraw/zinc/36/63/05/179366305.db2.gz YVFVMRKIDVRESF-BRWVUGGUSA-N 2 0 279.472 2.454 10 0 CEAERP CC1(C)CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920924 179368178 /nfs/dbraw/zinc/36/81/78/179368178.db2.gz XIZXDQBGOIYTNV-HNNXBMFYSA-N 2 0 254.418 2.003 10 0 CEAERP CC(C)[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947872 179368527 /nfs/dbraw/zinc/36/85/27/179368527.db2.gz LDZMOIROVXVTEA-HZPDHXFCSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000087518074 179438974 /nfs/dbraw/zinc/43/89/74/179438974.db2.gz FDYDDWNRPVTXCK-INIZCTEOSA-N 2 0 289.423 2.452 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCc2cccc(N)c2)CC1 ZINC000087846233 179499811 /nfs/dbraw/zinc/49/98/11/179499811.db2.gz UMSANNWOEXREFO-UHFFFAOYSA-N 2 0 261.413 2.085 10 0 CEAERP CCC[NH2+]Cc1cccnc1OC[C@H]1CCCC[N@@H+]1C ZINC000088166085 179561460 /nfs/dbraw/zinc/56/14/60/179561460.db2.gz SDCVFFIDHYRDKC-OAHLLOKOSA-N 2 0 277.412 2.444 10 0 CEAERP CC[NH+](CC)CCn1cc(N[C@H]2CCCC[C@@H]2C[NH3+])cn1 ZINC000089145267 179722462 /nfs/dbraw/zinc/72/24/62/179722462.db2.gz MRBTWZKUJKEBNK-ZBFHGGJFSA-N 2 0 293.459 2.154 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400445065 233177496 /nfs/dbraw/zinc/17/74/96/233177496.db2.gz NLQPORCVRUGIAN-YCPHGPKFSA-N 2 0 262.397 2.179 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400445062 233177509 /nfs/dbraw/zinc/17/75/09/233177509.db2.gz NLQPORCVRUGIAN-IIAWOOMASA-N 2 0 262.397 2.179 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2CO)CC1 ZINC000089489013 179802565 /nfs/dbraw/zinc/80/25/65/179802565.db2.gz OQLQDOCHPVAGIW-BHYGNILZSA-N 2 0 282.472 2.495 10 0 CEAERP CC1CCC(CO)(C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000089585292 179824819 /nfs/dbraw/zinc/82/48/19/179824819.db2.gz FMIFAUNKFKVEDN-UHFFFAOYSA-N 2 0 282.472 2.449 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)[C@@H](C)CC(C)C ZINC000090566546 180005334 /nfs/dbraw/zinc/00/53/34/180005334.db2.gz QKNBODKZZWNBCA-RRFJBIMHSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567112 180006340 /nfs/dbraw/zinc/00/63/40/180006340.db2.gz HWNPDSOPLSWZMX-ZWKOTPCHSA-N 2 0 288.435 2.102 10 0 CEAERP C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1CCCC[NH2+]1 ZINC000090693313 180025622 /nfs/dbraw/zinc/02/56/22/180025622.db2.gz GAYOSBRNOFRIJD-LBPRGKRZSA-N 2 0 282.350 2.419 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090873638 180049806 /nfs/dbraw/zinc/04/98/06/180049806.db2.gz YYUICAIJIPQECY-CZUORRHYSA-N 2 0 274.408 2.310 10 0 CEAERP C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000090900367 180058534 /nfs/dbraw/zinc/05/85/34/180058534.db2.gz QTEWATYHTHJHLS-DWZYQQQCSA-N 2 0 292.810 2.183 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427924 180152791 /nfs/dbraw/zinc/15/27/91/180152791.db2.gz DARITTBXYQOABG-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432378 180153775 /nfs/dbraw/zinc/15/37/75/180153775.db2.gz DDFOYQXRUWWMRO-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394963 180146020 /nfs/dbraw/zinc/14/60/20/180146020.db2.gz VEOBHKDIFNOMPI-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CCC[N@H+](C)CC1 ZINC000091402636 180146971 /nfs/dbraw/zinc/14/69/71/180146971.db2.gz UCTCNPYUGPPSGZ-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000091403500 180147506 /nfs/dbraw/zinc/14/75/06/180147506.db2.gz URRSBKNIJYRKBO-CQSZACIVSA-N 3 0 269.477 2.284 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000091715721 180232168 /nfs/dbraw/zinc/23/21/68/180232168.db2.gz MJNUGWGQQANNOX-CQSZACIVSA-N 2 0 279.428 2.309 10 0 CEAERP COC(=O)c1oc(C[N@H+](C)C2CCC([NH3+])CC2)cc1C ZINC000091847622 180270863 /nfs/dbraw/zinc/27/08/63/180270863.db2.gz VAABTZDFKIGNPQ-UHFFFAOYSA-N 2 0 280.368 2.076 10 0 CEAERP CC[N@H+]([C@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091849628 180270985 /nfs/dbraw/zinc/27/09/85/180270985.db2.gz YCIVMDALVBOJCU-QOZQQMKHSA-N 2 0 276.380 2.418 10 0 CEAERP CC[N@H+](Cc1ccc(OC)c(O)c1)C1CCC([NH3+])CC1 ZINC000091849745 180271752 /nfs/dbraw/zinc/27/17/52/180271752.db2.gz YHBBQZKOOLDYOI-UHFFFAOYSA-N 2 0 278.396 2.493 10 0 CEAERP CC[N@H+](Cc1cncn1C1CC1)C1CCC([NH3+])CC1 ZINC000091849924 180272002 /nfs/dbraw/zinc/27/20/02/180272002.db2.gz KAORYJUNWNCFMC-UHFFFAOYSA-N 2 0 262.401 2.310 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N2CCCC2)CC1 ZINC000091870157 180276896 /nfs/dbraw/zinc/27/68/96/180276896.db2.gz YVBRRDZUWZYNBZ-QQFBHYJXSA-N 2 0 295.471 2.240 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000091870300 180277146 /nfs/dbraw/zinc/27/71/46/180277146.db2.gz QIDWIRNQVJBRST-NRXISQOPSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000091870447 180277552 /nfs/dbraw/zinc/27/75/52/180277552.db2.gz RMAUFOAYGAMGIZ-QQFBHYJXSA-N 2 0 295.471 2.240 10 0 CEAERP C[C@@](O)([C@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCCC1 ZINC000091908011 180283760 /nfs/dbraw/zinc/28/37/60/180283760.db2.gz JLPHQWDUDYSQDA-UONOGXRCSA-N 2 0 254.418 2.036 10 0 CEAERP C[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091922357 180286798 /nfs/dbraw/zinc/28/67/98/180286798.db2.gz NQIJZVIIGJEZOQ-MRXNPFEDSA-N 2 0 268.445 2.379 10 0 CEAERP C[NH2+]Cc1cccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092089124 180321084 /nfs/dbraw/zinc/32/10/84/180321084.db2.gz OVNXDRGZDLRKSN-KBPBESRZSA-N 2 0 262.397 2.373 10 0 CEAERP C[N@H+](Cc1cccc(Cl)n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092366908 180369244 /nfs/dbraw/zinc/36/92/44/180369244.db2.gz ZUNAABOWFYBDTR-PWSUYJOCSA-N 2 0 253.777 2.294 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109495991 186256269 /nfs/dbraw/zinc/25/62/69/186256269.db2.gz KAKWEQCMVPCNLW-OLZOCXBDSA-N 2 0 280.416 2.329 10 0 CEAERP CCC[NH2+][C@H]1C(=O)Nc2cc(-n3cnc(C)c3C)ccc21 ZINC000109573177 186264056 /nfs/dbraw/zinc/26/40/56/186264056.db2.gz UTAWKUCBQMCHSD-OAHLLOKOSA-N 2 0 284.363 2.482 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594777 186264815 /nfs/dbraw/zinc/26/48/15/186264815.db2.gz LDDVTODOITXNLH-ZDUSSCGKSA-N 2 0 285.391 2.115 10 0 CEAERP COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000109604095 186267565 /nfs/dbraw/zinc/26/75/65/186267565.db2.gz JVQUBNBVCQJSQZ-HNNXBMFYSA-N 2 0 276.380 2.063 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000109462052 186253714 /nfs/dbraw/zinc/25/37/14/186253714.db2.gz RWGHKGRTLZDQQQ-GOSISDBHSA-N 2 0 289.467 2.494 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CCC[N@H+](C)C1 ZINC000110629701 186307664 /nfs/dbraw/zinc/30/76/64/186307664.db2.gz JBAQXDVLBCSSQN-VIFPVBQESA-N 2 0 278.331 2.033 10 0 CEAERP CC[NH+](CC)CCCn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629317 186308053 /nfs/dbraw/zinc/30/80/53/186308053.db2.gz VLSMPUWSAQNVHW-UHFFFAOYSA-N 2 0 294.374 2.498 10 0 CEAERP COc1ccc(F)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110650745 186310905 /nfs/dbraw/zinc/31/09/05/186310905.db2.gz PPLRKOWFCBNHEO-NSHDSACASA-N 2 0 266.360 2.394 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110716311 186315272 /nfs/dbraw/zinc/31/52/72/186315272.db2.gz KPPMPLTZOGSVQU-CVEARBPZSA-N 2 0 275.440 2.491 10 0 CEAERP CC(C)[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110712764 186316722 /nfs/dbraw/zinc/31/67/22/186316722.db2.gz CIFKFJVQHZIIJY-UAGQMJEPSA-N 2 0 275.440 2.347 10 0 CEAERP CC[C@@H]1CN(CC(C)(C)C[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110746635 186318674 /nfs/dbraw/zinc/31/86/74/186318674.db2.gz BADRINYJVJMZGP-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CN(CC(CC)(CC)C[NH2+]C)CC[N@@H+]1C ZINC000110746652 186318991 /nfs/dbraw/zinc/31/89/91/186318991.db2.gz HGALBVYCSVUIHS-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCN(CC[NH2+][C@@H](C)c2cccs2)C[C@@H]1C ZINC000110756611 186319645 /nfs/dbraw/zinc/31/96/45/186319645.db2.gz GFWWNQWLCXVUBG-KBPBESRZSA-N 2 0 281.469 2.425 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747088 186319716 /nfs/dbraw/zinc/31/97/16/186319716.db2.gz FKEVJRBTIPFYLU-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747277 186320305 /nfs/dbraw/zinc/32/03/05/186320305.db2.gz ZXAONFYHUHRNDX-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747093 186320681 /nfs/dbraw/zinc/32/06/81/186320681.db2.gz WTSXKSNZPHOMMM-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1oc(CN2CC[N@H+](C)[C@@H](CC)C2)cc1C ZINC000110754383 186320798 /nfs/dbraw/zinc/32/07/98/186320798.db2.gz YNNGEWFHSRKYMC-AWEZNQCLSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747257 186320864 /nfs/dbraw/zinc/32/08/64/186320864.db2.gz RCXRUXKZKSKPID-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(F)cc2C(N)=[NH2+])C1 ZINC000111034769 186346807 /nfs/dbraw/zinc/34/68/07/186346807.db2.gz XDBUZLGQSCZCCK-GFCCVEGCSA-N 2 0 278.375 2.030 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)CCC[NH+](C)C ZINC000111150258 186360434 /nfs/dbraw/zinc/36/04/34/186360434.db2.gz VLKXYRFIUGJVBC-HNNXBMFYSA-N 2 0 257.466 2.140 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000111131554 186356409 /nfs/dbraw/zinc/35/64/09/186356409.db2.gz WFMWQXNWJGKVJB-CQSZACIVSA-N 2 0 269.820 2.223 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000111134911 186356958 /nfs/dbraw/zinc/35/69/58/186356958.db2.gz RGIDRFAPDGEITP-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(OC(C)C)cc1 ZINC000111135140 186357713 /nfs/dbraw/zinc/35/77/13/186357713.db2.gz DFUALDRWFNJKBC-QGZVFWFLSA-N 2 0 293.455 2.228 10 0 CEAERP C[NH2+][C@H](C)c1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111138753 186358030 /nfs/dbraw/zinc/35/80/30/186358030.db2.gz VGUJTBRYQOSQNF-GFCCVEGCSA-N 2 0 267.392 2.494 10 0 CEAERP CCC[NH2+]C[C@@](C)(CCC)CN(C)CC[NH+](C)C ZINC000111146866 186358501 /nfs/dbraw/zinc/35/85/01/186358501.db2.gz SBORNNVKBNSBKV-OAHLLOKOSA-N 2 0 257.466 2.286 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN(C)CCC[NH+](C)C ZINC000111147612 186358967 /nfs/dbraw/zinc/35/89/67/186358967.db2.gz PJAZAMDBZDRCOR-UHFFFAOYSA-N 2 0 257.466 2.142 10 0 CEAERP C[NH2+][C@@H](CCN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000111147679 186359091 /nfs/dbraw/zinc/35/90/91/186359091.db2.gz RRCGTQSGLVRUDY-INIZCTEOSA-N 2 0 281.419 2.360 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]CCN(C)CCC[NH+](C)C)C1 ZINC000111150841 186359703 /nfs/dbraw/zinc/35/97/03/186359703.db2.gz BGBLJERJMSJMSD-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171868 186365471 /nfs/dbraw/zinc/36/54/71/186365471.db2.gz IHVGWLXUHXQWEY-ZNMIVQPWSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCOC2)O1 ZINC000111174863 186365508 /nfs/dbraw/zinc/36/55/08/186365508.db2.gz APGZVLZBGJQWGT-YESZJQIVSA-N 2 0 298.471 2.138 10 0 CEAERP C[N@H+](CC1CCOCC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111172606 186365624 /nfs/dbraw/zinc/36/56/24/186365624.db2.gz XFGRBIAOHAYVKD-GJZGRUSLSA-N 2 0 254.418 2.252 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171583 186365811 /nfs/dbraw/zinc/36/58/11/186365811.db2.gz KSSULESNWYZSJI-GJZGRUSLSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH+](CC)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111323679 186397016 /nfs/dbraw/zinc/39/70/16/186397016.db2.gz QZCIVFKZKRHFNZ-HNNXBMFYSA-N 2 0 256.434 2.371 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N(C)CC[NH+]2CCCC2)cc1 ZINC000111499777 186425026 /nfs/dbraw/zinc/42/50/26/186425026.db2.gz AMOCBVKEKXXZCN-AWEZNQCLSA-N 2 0 261.413 2.108 10 0 CEAERP Cc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc(C)c1O ZINC000211508409 539905244 /nfs/dbraw/zinc/90/52/44/539905244.db2.gz ZFURUZBRYGALEO-AWEZNQCLSA-N 2 0 262.397 2.393 10 0 CEAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000364797909 283352336 /nfs/dbraw/zinc/35/23/36/283352336.db2.gz RJOYJDBKQLOSGT-BARDWOONSA-N 2 0 266.429 2.121 10 0 CEAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])COc1ccccc1 ZINC000011848799 361366164 /nfs/dbraw/zinc/36/61/64/361366164.db2.gz IQDCQHRRJTVJFH-HNNXBMFYSA-N 2 0 273.380 2.129 10 0 CEAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000245542430 370836742 /nfs/dbraw/zinc/83/67/42/370836742.db2.gz PPSOUSSCKCTEKH-OWCLPIDISA-N 2 0 268.445 2.249 10 0 CEAERP CC/C=C\CC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000342220731 367394460 /nfs/dbraw/zinc/39/44/60/367394460.db2.gz SBSUCZWHZIBMJS-IYKSTZQJSA-N 2 0 268.445 2.367 10 0 CEAERP C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@@H]1C[NH3+] ZINC000631838445 367579182 /nfs/dbraw/zinc/57/91/82/367579182.db2.gz OGVOTMLYELTKAJ-ZFWWWQNUSA-N 2 0 254.418 2.110 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@@H]1C[NH3+] ZINC000634999117 369033089 /nfs/dbraw/zinc/03/30/89/369033089.db2.gz QFWNDAFDNRUHHV-OCCSQVGLSA-N 2 0 255.365 2.261 10 0 CEAERP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000187820929 369229186 /nfs/dbraw/zinc/22/91/86/369229186.db2.gz JPEKDKKKDQWSSY-GDBMZVCRSA-N 2 0 294.414 2.193 10 0 CEAERP COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1F ZINC000231457693 370479325 /nfs/dbraw/zinc/47/93/25/370479325.db2.gz FONNLKSPHJMHEY-CYBMUJFWSA-N 2 0 266.360 2.408 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1c1ccccc1 ZINC000261616755 371679701 /nfs/dbraw/zinc/67/97/01/371679701.db2.gz CUXCGXVILQBRHB-SJORKVTESA-N 2 0 267.376 2.256 10 0 CEAERP C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078349 371819621 /nfs/dbraw/zinc/81/96/21/371819621.db2.gz SVIHKSMKVRZBTG-COXVUDFISA-N 2 0 290.407 2.023 10 0 CEAERP CC(C)OC1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000643475797 373143506 /nfs/dbraw/zinc/14/35/06/373143506.db2.gz LZOJHNDANYGMNV-ZUJMUWTESA-N 2 0 254.418 2.310 10 0 CEAERP CCOc1ccc(C[NH2+][C@H]2CCN(CC)C2)cc1OC ZINC000389444845 375304324 /nfs/dbraw/zinc/30/43/24/375304324.db2.gz OUJFXBTZIJGOSP-AWEZNQCLSA-N 2 0 278.396 2.278 10 0 CEAERP [NH3+]C1CCC([NH2+]CCSCC(F)(F)F)CC1 ZINC000423016786 376931445 /nfs/dbraw/zinc/93/14/45/376931445.db2.gz NHBXVXPAICDUBU-UHFFFAOYSA-N 2 0 256.337 2.141 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400348172 284609066 /nfs/dbraw/zinc/60/90/66/284609066.db2.gz IKTUKZKRXQXMFH-ZNMIVQPWSA-N 3 0 255.450 2.085 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000423109813 377002221 /nfs/dbraw/zinc/00/22/21/377002221.db2.gz UZVSJXHCKAXWLT-QHSBEEBCSA-N 2 0 254.418 2.297 10 0 CEAERP CC[C@H]1CCC[N@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085240516 184609025 /nfs/dbraw/zinc/60/90/25/184609025.db2.gz QQKXXIWPPPHDCG-HOCLYGCPSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1C(C)C ZINC000093000297 184642139 /nfs/dbraw/zinc/64/21/39/184642139.db2.gz DLXVQMPFWIVQDF-LLVKDONJSA-N 2 0 282.457 2.126 10 0 CEAERP COC[C@H]1CC[N@H+](C[C@@]2(C[NH2+]C(C)(C)C)CCCOC2)C1 ZINC000081115922 177773222 /nfs/dbraw/zinc/77/32/22/177773222.db2.gz FXHSUZDUCCROCC-RDJZCZTQSA-N 2 0 298.471 2.140 10 0 CEAERP CC[C@H]1CC[C@](C[NH3+])(N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000080466526 177656243 /nfs/dbraw/zinc/65/62/43/177656243.db2.gz QYVDPHFKXJTSBT-JYJNAYRXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[NH+](CC)CC[C@H]1CCC[C@]1(CO)[NH2+]C1CC1 ZINC000093616223 184696417 /nfs/dbraw/zinc/69/64/17/184696417.db2.gz WKJDSEQMEZPCAH-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP CCNc1cc[nH+]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000094465182 184805385 /nfs/dbraw/zinc/80/53/85/184805385.db2.gz YRUDFCZTBYOWBX-BBRMVZONSA-N 2 0 274.412 2.182 10 0 CEAERP CC1(C)CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)[C@H]1O ZINC000094310327 184778437 /nfs/dbraw/zinc/77/84/37/184778437.db2.gz ZXVMUTKMJKHFDM-JKSUJKDBSA-N 2 0 280.456 2.344 10 0 CEAERP CC[NH2+]CC1(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CCCC1 ZINC000094465719 184806926 /nfs/dbraw/zinc/80/69/26/184806926.db2.gz DCSMTEBBCRQWQD-HOTGVXAUSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+][C@H](CSCC[NH+](C)C)c1cccc(OC)c1 ZINC000095021496 184917554 /nfs/dbraw/zinc/91/75/54/184917554.db2.gz ACBGOHXYTRRZHE-CQSZACIVSA-N 2 0 268.426 2.251 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3C=C[C@H]([NH3+])C3)CC2)c1C ZINC000092208956 135076110 /nfs/dbraw/zinc/07/61/10/135076110.db2.gz LQQSPNNLLYJKKY-IRXDYDNUSA-N 2 0 285.435 2.329 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H]3CC[C@H]([NH3+])C3)CC2)c1C ZINC000093224221 135079759 /nfs/dbraw/zinc/07/97/59/135079759.db2.gz JMBCICRXPPEABH-JKSUJKDBSA-N 2 0 273.424 2.305 10 0 CEAERP NC(=[NH2+])c1ccc(Cl)cc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439616 135087885 /nfs/dbraw/zinc/08/78/85/135087885.db2.gz CYXBINFIUWRLES-GFCCVEGCSA-N 2 0 292.814 2.299 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444539 135088719 /nfs/dbraw/zinc/08/87/19/135088719.db2.gz HWQXJUHUCGEZQF-DZGCQCFKSA-N 2 0 291.414 2.390 10 0 CEAERP C[C@@H]1C[N@@H+]([C@H]2CCCC23CCOCC3)C[C@@]1(C)C[NH3+] ZINC000311379233 394537091 /nfs/dbraw/zinc/53/70/91/394537091.db2.gz ARHLVOSRZUHUII-QLFBSQMISA-N 2 0 266.429 2.252 10 0 CEAERP Cc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000108951983 394733083 /nfs/dbraw/zinc/73/30/83/394733083.db2.gz RHFURZPJCYCXKO-AWEZNQCLSA-N 2 0 285.391 2.310 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])c(Br)c1 ZINC000575438771 400609624 /nfs/dbraw/zinc/60/96/24/400609624.db2.gz AIDZEFKHLVURHU-LLVKDONJSA-N 2 0 257.175 2.496 10 0 CEAERP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000651199293 401293967 /nfs/dbraw/zinc/29/39/67/401293967.db2.gz XDNJHLRICXBWKY-KGLIPLIRSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH+](CC)CCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000191786144 153189018 /nfs/dbraw/zinc/18/90/18/153189018.db2.gz YRDZNKOLHXUAOR-UHFFFAOYSA-N 2 0 278.444 2.327 10 0 CEAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)CC[NH3+] ZINC000263028897 154008828 /nfs/dbraw/zinc/00/88/28/154008828.db2.gz RSBKUZWWHJMQEB-HUUCEWRRSA-N 2 0 275.440 2.034 10 0 CEAERP CCCC[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563445933 298778548 /nfs/dbraw/zinc/77/85/48/298778548.db2.gz PSRHSVAXFMJQHB-LSDHHAIUSA-N 2 0 267.461 2.229 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179502 171044524 /nfs/dbraw/zinc/04/45/24/171044524.db2.gz FCWDNALYMXCRMR-MRXNPFEDSA-N 2 0 279.403 2.099 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000020179500 171044548 /nfs/dbraw/zinc/04/45/48/171044548.db2.gz FCWDNALYMXCRMR-INIZCTEOSA-N 2 0 279.403 2.099 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000022168139 171366741 /nfs/dbraw/zinc/36/67/41/171366741.db2.gz RJUUXPFRPRLSME-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP C[N@H+](C[C@@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000035731476 172381577 /nfs/dbraw/zinc/38/15/77/172381577.db2.gz JISJBMFNFSLKLD-ZIAGYGMSSA-N 2 0 250.411 2.166 10 0 CEAERP FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000038041261 174041830 /nfs/dbraw/zinc/04/18/30/174041830.db2.gz KPRMOJJSWGHKIU-GHMZBOCLSA-N 2 0 250.308 2.449 10 0 CEAERP [NH3+]C[C@@H](c1ccccn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693783 174377809 /nfs/dbraw/zinc/37/78/09/174377809.db2.gz VXWCBCPRFCBNOI-KRWDZBQOSA-N 2 0 288.439 2.032 10 0 CEAERP C[N@H+](C1Cc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746499 174391683 /nfs/dbraw/zinc/39/16/83/174391683.db2.gz UAMWIHLUKOYTFU-FKEKPDDDSA-N 2 0 256.393 2.369 10 0 CEAERP CCC[N@H+](C1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747569 174392595 /nfs/dbraw/zinc/39/25/95/174392595.db2.gz HAQCJLCOBYMBCL-NNQSOWQGSA-N 2 0 252.402 2.160 10 0 CEAERP COc1cc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1O ZINC000040749001 174393755 /nfs/dbraw/zinc/39/37/55/174393755.db2.gz TWHXRRNJBVAVDO-NDNKKMJESA-N 2 0 276.380 2.416 10 0 CEAERP CC(C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2[NH2+]C[C@@H]1CCOC1 ZINC000040769285 174399556 /nfs/dbraw/zinc/39/95/56/174399556.db2.gz NUCCBBFFHNBIIP-LSVZVQIISA-N 2 0 266.429 2.121 10 0 CEAERP CC[N@H+](CCCOc1ccc(C[NH3+])cc1)[C@@H](C)COC ZINC000042739987 174862035 /nfs/dbraw/zinc/86/20/35/174862035.db2.gz ZWRDXSLQRBTXIN-AWEZNQCLSA-N 2 0 280.412 2.271 10 0 CEAERP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC([NH+](C)C)CC1 ZINC000043035416 174950492 /nfs/dbraw/zinc/95/04/92/174950492.db2.gz PZPDNSMHBOGLAW-WMLDXEAASA-N 2 0 275.440 2.409 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314471 175004398 /nfs/dbraw/zinc/00/43/98/175004398.db2.gz QIKZNYKPZGIHQV-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC(C[NH+](C)C)CC2)o1 ZINC000043364993 175026665 /nfs/dbraw/zinc/02/66/65/175026665.db2.gz XNOZTNDECAAUNH-BBRMVZONSA-N 2 0 279.428 2.250 10 0 CEAERP CCC[NH+]1CCN([C@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805216 175107410 /nfs/dbraw/zinc/10/74/10/175107410.db2.gz JYUMMGUCPFFKCS-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH+]1CCN(C[C@@H]([NH2+]C)c2cc3ccccc3o2)CC1 ZINC000043805911 175108719 /nfs/dbraw/zinc/10/87/19/175108719.db2.gz FOPCGRDBXOVTBB-OAHLLOKOSA-N 2 0 287.407 2.331 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810487 175109846 /nfs/dbraw/zinc/10/98/46/175109846.db2.gz PWUPRWSOBGOQAO-SJORKVTESA-N 2 0 275.440 2.219 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810972 175110350 /nfs/dbraw/zinc/11/03/50/175110350.db2.gz VAVNTMFCEHGCRW-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810966 175110525 /nfs/dbraw/zinc/11/05/25/175110525.db2.gz WFWQPEGITFDKOG-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043810926 175110584 /nfs/dbraw/zinc/11/05/84/175110584.db2.gz PQVYYSWWEPQMCI-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cc(C)ccc1C ZINC000043818160 175112901 /nfs/dbraw/zinc/11/29/01/175112901.db2.gz CRRRPZJBOMSRQT-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897456 175120577 /nfs/dbraw/zinc/12/05/77/175120577.db2.gz XANKOIGYTURWJN-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967532 175128483 /nfs/dbraw/zinc/12/84/83/175128483.db2.gz HSRCRXNYBMRTLS-HOTGVXAUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CC[NH+](CC2CC2)CC1 ZINC000043967873 175129202 /nfs/dbraw/zinc/12/92/02/175129202.db2.gz NKSJHSPWDJMHGB-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000043969147 175130854 /nfs/dbraw/zinc/13/08/54/175130854.db2.gz GMZMDBANCFNHJQ-QWHCGFSZSA-N 2 0 280.412 2.442 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044764204 175248105 /nfs/dbraw/zinc/24/81/05/175248105.db2.gz YQUKCZXPBKZUBU-UHFFFAOYSA-N 2 0 295.471 2.228 10 0 CEAERP CCC[NH+](CCC)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045378534 175367549 /nfs/dbraw/zinc/36/75/49/175367549.db2.gz IUBIOUMHTZMBKZ-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379169 175368447 /nfs/dbraw/zinc/36/84/47/175368447.db2.gz XOMWARGQGMYNPD-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH3+])C(=O)OC)CC(C)C ZINC000045381661 175370045 /nfs/dbraw/zinc/37/00/45/175370045.db2.gz WDUOHMQVLWIDGM-AWEZNQCLSA-N 2 0 258.406 2.025 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)C(C)C ZINC000045385875 175372328 /nfs/dbraw/zinc/37/23/28/175372328.db2.gz ZHZHOYCRYDGBOX-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCC(CC)[N@H+](C)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045391658 175374989 /nfs/dbraw/zinc/37/49/89/175374989.db2.gz KQOMSMNWSJNQTB-HNNXBMFYSA-N 2 0 271.449 2.129 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000045391943 175375753 /nfs/dbraw/zinc/37/57/53/175375753.db2.gz XZDKRRJRXGMDEG-ZFWWWQNUSA-N 2 0 272.433 2.414 10 0 CEAERP CC[NH2+][C@](C)(CCC[NH+](CC(C)C)CC(C)C)C(N)=O ZINC000045420424 175378690 /nfs/dbraw/zinc/37/86/90/175378690.db2.gz KFGFXGOALIDONG-MRXNPFEDSA-N 2 0 285.476 2.234 10 0 CEAERP CC[C@]1(C)C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360440 175889168 /nfs/dbraw/zinc/88/91/68/175889168.db2.gz JOHASLQBGQRFKL-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283063 415673904 /nfs/dbraw/zinc/67/39/04/415673904.db2.gz HAXBHGLRRXPVIA-VHDGCEQUSA-N 2 0 254.418 2.169 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038102 176026885 /nfs/dbraw/zinc/02/68/85/176026885.db2.gz FCXNMYQZQBPGHF-JKSUJKDBSA-N 2 0 297.487 2.486 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000071162114 176046002 /nfs/dbraw/zinc/04/60/02/176046002.db2.gz HIHZWAVPTGNBJV-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188901 176064032 /nfs/dbraw/zinc/06/40/32/176064032.db2.gz OEKZEAXZMKUDGY-YLFCFFPRSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191397 176069217 /nfs/dbraw/zinc/06/92/17/176069217.db2.gz JBMZUBNTWXKQOX-PMPSAXMXSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191489 176069926 /nfs/dbraw/zinc/06/99/26/176069926.db2.gz KOUZRZFAEURWEM-GDBMZVCRSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+]Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192034 176072052 /nfs/dbraw/zinc/07/20/52/176072052.db2.gz MCAGSHZQMGKSKK-CQSZACIVSA-N 2 0 279.428 2.081 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192028 176072512 /nfs/dbraw/zinc/07/25/12/176072512.db2.gz YCVHHDDVCPRMCQ-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1)c1cccs1 ZINC000071192224 176074052 /nfs/dbraw/zinc/07/40/52/176074052.db2.gz ZSZPDMYTFIOWCC-UONOGXRCSA-N 2 0 281.469 2.282 10 0 CEAERP Cc1ccc(C[NH2+]CCN(C)C[C@H]2CC[N@H+](C)C2)s1 ZINC000071192439 176074794 /nfs/dbraw/zinc/07/47/94/176074794.db2.gz OTIAPGZQSXUPQP-AWEZNQCLSA-N 2 0 281.469 2.030 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@H+](C)CCC[NH+](C)C ZINC000071290144 176110476 /nfs/dbraw/zinc/11/04/76/176110476.db2.gz JOGKUQNTYJMUPE-UHFFFAOYSA-N 3 0 257.466 2.428 10 0 CEAERP CC(C)C[NH2+]CCCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000071290079 176110604 /nfs/dbraw/zinc/11/06/04/176110604.db2.gz ZZAUWHNFXNMUAC-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000071293982 176111522 /nfs/dbraw/zinc/11/15/22/176111522.db2.gz NCDRBTYIVOWBBO-OAHLLOKOSA-N 2 0 284.444 2.430 10 0 CEAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401180 176153441 /nfs/dbraw/zinc/15/34/41/176153441.db2.gz AAOLZPYWPUKKGG-GDBMZVCRSA-N 2 0 289.423 2.067 10 0 CEAERP C[C@H]1C[N@H+](CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589154 176217430 /nfs/dbraw/zinc/21/74/30/176217430.db2.gz BKXKMJIRZNGDCZ-HOCLYGCPSA-N 2 0 262.397 2.057 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@@H](C)CC[NH3+] ZINC000079078404 177429407 /nfs/dbraw/zinc/42/94/07/177429407.db2.gz SVMPXJFKAPZRIZ-CABCVRRESA-N 2 0 285.476 2.378 10 0 CEAERP CC(C)[C@H](CC[NH3+])CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000079281036 177462859 /nfs/dbraw/zinc/46/28/59/177462859.db2.gz HYBOQZSCHDSRHM-GJZGRUSLSA-N 2 0 256.434 2.498 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]12 ZINC000261629278 274959786 /nfs/dbraw/zinc/95/97/86/274959786.db2.gz VRYBZPCZSAEOJO-FPMFFAJLSA-N 2 0 253.349 2.408 10 0 CEAERP CCC1(C[NH2+]CC[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000261571062 276219026 /nfs/dbraw/zinc/21/90/26/276219026.db2.gz KTJFGSOJJJLBQH-CQSZACIVSA-N 2 0 254.418 2.173 10 0 CEAERP CCC1(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000261580747 278640355 /nfs/dbraw/zinc/64/03/55/278640355.db2.gz QECUJZRLLAGVOF-UONOGXRCSA-N 2 0 254.418 2.300 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156013549 279122131 /nfs/dbraw/zinc/12/21/31/279122131.db2.gz UDKCYTSWLQESGS-ARFHVFGLSA-N 2 0 297.487 2.105 10 0 CEAERP CC1(C)CC([NH2+]CCCCCC[NH3+])CC(C)(C)[NH2+]1 ZINC000033606216 280912927 /nfs/dbraw/zinc/91/29/27/280912927.db2.gz GXFQBBOZTNQHMW-UHFFFAOYSA-N 3 0 255.450 2.404 10 0 CEAERP CC(C)CC[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075943 519663298 /nfs/dbraw/zinc/66/32/98/519663298.db2.gz ANAZPTLEUJPBGN-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH+]1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055081831 519725504 /nfs/dbraw/zinc/72/55/04/519725504.db2.gz OHXRSRZFJBAOOH-UHFFFAOYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)[NH2+]C[C@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571603 519724209 /nfs/dbraw/zinc/72/42/09/519724209.db2.gz ZHFWYZIKXUIZHE-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371370 519743847 /nfs/dbraw/zinc/74/38/47/519743847.db2.gz WJGLHEZPYZOJJV-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COC ZINC000054601722 519907831 /nfs/dbraw/zinc/90/78/31/519907831.db2.gz GXLXDBRXHLXEPJ-AVOUXACISA-N 2 0 254.418 2.406 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000061148373 519908335 /nfs/dbraw/zinc/90/83/35/519908335.db2.gz SUDVLARKNLWXNP-AVOUXACISA-N 2 0 252.402 2.018 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347061 519982025 /nfs/dbraw/zinc/98/20/25/519982025.db2.gz QQYGQERPQGAEFL-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccoc2C)O1 ZINC000052346603 519977687 /nfs/dbraw/zinc/97/76/87/519977687.db2.gz OVUFMGIVEWNQGY-CABCVRRESA-N 2 0 266.385 2.177 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1CC ZINC000061655605 520033609 /nfs/dbraw/zinc/03/36/09/520033609.db2.gz ZMEALKGLHBGWLR-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+](CC(C)C)CC2)nc1C ZINC000055076605 520034357 /nfs/dbraw/zinc/03/43/57/520034357.db2.gz JPXNXNBFXUEBCR-UHFFFAOYSA-N 2 0 296.484 2.339 10 0 CEAERP CCC[NH2+][C@H](C)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055078752 520061470 /nfs/dbraw/zinc/06/14/70/520061470.db2.gz DAVIPVWYIVPUTN-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]C2CCCCC2)C1 ZINC000062974397 520845783 /nfs/dbraw/zinc/84/57/83/520845783.db2.gz ROXXLCOPOBXVRP-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@H+](CCCOc1ccccc1)C[C@@H](C)C[NH3+] ZINC000061815651 521039695 /nfs/dbraw/zinc/03/96/95/521039695.db2.gz LUNFIOKIFKSZAB-AWEZNQCLSA-N 2 0 250.386 2.372 10 0 CEAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000151332434 533899813 /nfs/dbraw/zinc/89/98/13/533899813.db2.gz LDZDDKXSTWDDMT-ZFWWWQNUSA-N 2 0 254.418 2.002 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515235 522544612 /nfs/dbraw/zinc/54/46/12/522544612.db2.gz MCBCJWORNOOYSZ-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354572 533943843 /nfs/dbraw/zinc/94/38/43/533943843.db2.gz AAJGSVPPXXTIAJ-SOLBZPMBSA-N 2 0 289.467 2.485 10 0 CEAERP CC(C)C[C@H]1CSC(N[C@@H](C)CC[NH+](C)C)=[NH+]1 ZINC000049559265 519416619 /nfs/dbraw/zinc/41/66/19/519416619.db2.gz SCIWQYGRWOUEAR-RYUDHWBXSA-N 2 0 257.447 2.434 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCOCC1 ZINC000052763424 519719850 /nfs/dbraw/zinc/71/98/50/519719850.db2.gz DPTRAKUBEYEVNK-MRXNPFEDSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)C[NH2+]CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000052477527 519743435 /nfs/dbraw/zinc/74/34/35/519743435.db2.gz IKQXHYPGYYDEQO-UHFFFAOYSA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372386 519744658 /nfs/dbraw/zinc/74/46/58/519744658.db2.gz YISAZPFJNSPGAB-KRWDZBQOSA-N 2 0 281.488 2.284 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(OCCOCC[NH+](C)C)cc1 ZINC000052669693 519747357 /nfs/dbraw/zinc/74/73/57/519747357.db2.gz HXGWHRRHGROXKV-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP CC(C)[C@@H](C)[NH2+]CCN1CC[NH+](C2CCCC2)CC1 ZINC000053388955 519792311 /nfs/dbraw/zinc/79/23/11/519792311.db2.gz ZIDKSVDURFODOK-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654676 519794846 /nfs/dbraw/zinc/79/48/46/519794846.db2.gz YFHVIHNKKNGOQL-HUUCEWRRSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052478534 519811848 /nfs/dbraw/zinc/81/18/48/519811848.db2.gz IBJDINYOXPOVOG-ZDUSSCGKSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)[C@H](CN(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000049197491 519814399 /nfs/dbraw/zinc/81/43/99/519814399.db2.gz YMSBPTYCASRPDW-KRWDZBQOSA-N 2 0 290.455 2.226 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2O)CC1 ZINC000049555223 519847513 /nfs/dbraw/zinc/84/75/13/519847513.db2.gz MJKOMNVRAPABEG-LSDHHAIUSA-N 2 0 254.418 2.144 10 0 CEAERP CCC[NH+]1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000052422129 519859532 /nfs/dbraw/zinc/85/95/32/519859532.db2.gz LKFYWNBWEDTDEM-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCCN1CC[NH+]([C@H](C)CCC[NH2+]C(C)C)CC1 ZINC000052421973 519859597 /nfs/dbraw/zinc/85/95/97/519859597.db2.gz OUUKVGFJZZNDJG-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CCCN1CC[NH+]([C@@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052421982 519859607 /nfs/dbraw/zinc/85/96/07/519859607.db2.gz DNJHJPDBELMOBV-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH+]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860006 519859906 /nfs/dbraw/zinc/85/99/06/519859906.db2.gz MHOOOVDXVKGDPX-UHFFFAOYSA-N 2 0 280.803 2.156 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c(C[NH2+]C(C)C)s2)CC1 ZINC000054968975 519860138 /nfs/dbraw/zinc/86/01/38/519860138.db2.gz AFBVIKOYJHGJQV-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181054 519909585 /nfs/dbraw/zinc/90/95/85/519909585.db2.gz PNNKIJULOZTVEI-INIZCTEOSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+](CC)CC ZINC000054601541 519910197 /nfs/dbraw/zinc/91/01/97/519910197.db2.gz MGHBULJYIVUBRJ-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)C(C)C)CCOCC1 ZINC000052181736 519913012 /nfs/dbraw/zinc/91/30/12/519913012.db2.gz ASHWMJFTRGBNLC-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+]CC1(C[NH+]2CCCCCC2)CCOCC1 ZINC000052180819 519913300 /nfs/dbraw/zinc/91/33/00/519913300.db2.gz PIGPZQOIOGTSII-UHFFFAOYSA-N 2 0 254.418 2.269 10 0 CEAERP CCC[NH2+]C[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417083 519931623 /nfs/dbraw/zinc/93/16/23/519931623.db2.gz STLCCSPXRQLIHT-INIZCTEOSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479261 519937263 /nfs/dbraw/zinc/93/72/63/519937263.db2.gz LEFSDNUQMBMQDH-CFVMTHIKSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382046 519938076 /nfs/dbraw/zinc/93/80/76/519938076.db2.gz ZIIPFHFHQOPGEL-HUUCEWRRSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](CC)[C@H](C)COC)on1 ZINC000052504846 519944920 /nfs/dbraw/zinc/94/49/20/519944920.db2.gz RMNPNZYWCIWABE-GFCCVEGCSA-N 2 0 269.389 2.031 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@H](C)COC)o1 ZINC000052572331 519946857 /nfs/dbraw/zinc/94/68/57/519946857.db2.gz DJMRWFNYUNLEFF-CQSZACIVSA-N 2 0 298.427 2.263 10 0 CEAERP CCC[NH2+]Cc1cccc(OCCOCC[NH+](C)C)c1 ZINC000052669669 519953671 /nfs/dbraw/zinc/95/36/71/519953671.db2.gz YGQZLPNMHNYTQQ-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000062971414 519957301 /nfs/dbraw/zinc/95/73/01/519957301.db2.gz YYBFOYMNAUAERB-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CC[NH+](CC(C)C)CC1 ZINC000055081741 519957941 /nfs/dbraw/zinc/95/79/41/519957941.db2.gz MDPZVLCNHNGQTO-MRXNPFEDSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654578 519976260 /nfs/dbraw/zinc/97/62/60/519976260.db2.gz ZRELTBWPVRETDE-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420852 519979920 /nfs/dbraw/zinc/97/99/20/519979920.db2.gz NUOZOWKPEFXAQE-BARDWOONSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069288295 519987410 /nfs/dbraw/zinc/98/74/10/519987410.db2.gz IREFTHCVDMTSSN-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1coc(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000052453451 520018163 /nfs/dbraw/zinc/01/81/63/520018163.db2.gz DUMMEFNODALVJH-GFCCVEGCSA-N 2 0 254.399 2.326 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC)cc1 ZINC000052481600 519995545 /nfs/dbraw/zinc/99/55/45/519995545.db2.gz SECKXGMHWGJRSF-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1 ZINC000052476660 519996835 /nfs/dbraw/zinc/99/68/35/519996835.db2.gz NYJHDJNLOCJHFI-UONOGXRCSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1ccccc1OCC[NH+]1CCC(OC)CC1 ZINC000052455270 520008025 /nfs/dbraw/zinc/00/80/25/520008025.db2.gz NBWNXEKGVLRHRN-UHFFFAOYSA-N 2 0 292.423 2.286 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061646063 520008296 /nfs/dbraw/zinc/00/82/96/520008296.db2.gz DKCONGMGXSDTJZ-OAHLLOKOSA-N 2 0 261.413 2.327 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@@H]1CCSC1 ZINC000052453159 520010770 /nfs/dbraw/zinc/01/07/70/520010770.db2.gz VQYPFVWPRRDUOV-GFCCVEGCSA-N 2 0 254.399 2.326 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965323 520021061 /nfs/dbraw/zinc/02/10/61/520021061.db2.gz SZRVLQGIGVRJNA-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069074588 520083757 /nfs/dbraw/zinc/08/37/57/520083757.db2.gz NTZGEPFKLPCGBB-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[NH+]1CCC(O)CC1 ZINC000054559439 520120220 /nfs/dbraw/zinc/12/02/20/520120220.db2.gz RJGNQFHPBYIITM-BFYDXBDKSA-N 2 0 282.472 2.494 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](Cc2occc2C[NH3+])C1 ZINC000052371565 520275694 /nfs/dbraw/zinc/27/56/94/520275694.db2.gz NTWDWDVZYHLOCB-CYBMUJFWSA-N 2 0 252.358 2.129 10 0 CEAERP CC[NH+](CC)[C@H](CNC(=O)C(C)(C)[NH2+]C)c1ccccc1 ZINC000061300091 520859255 /nfs/dbraw/zinc/85/92/55/520859255.db2.gz UZBIPUWBTORXSV-OAHLLOKOSA-N 2 0 291.439 2.184 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)C1 ZINC000062978955 520874417 /nfs/dbraw/zinc/87/44/17/520874417.db2.gz ZGQCJLGSMLYZOG-JQHSSLGASA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000069182602 520876756 /nfs/dbraw/zinc/87/67/56/520876756.db2.gz NADFXZBRIGXEBF-LBPRGKRZSA-N 2 0 294.468 2.400 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000069381112 521120007 /nfs/dbraw/zinc/12/00/07/521120007.db2.gz APZXWGXQIJRXDY-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCCC[C@H]([NH3+])CN1CC[NH+](C2CCCC2)CC1 ZINC000052063830 521216394 /nfs/dbraw/zinc/21/63/94/521216394.db2.gz OOEQUWYRHCGKPR-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@H+](C[C@H]1CCCO1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052510960 521269111 /nfs/dbraw/zinc/26/91/11/521269111.db2.gz HZPRAVHGNABOGM-DZGCQCFKSA-N 2 0 254.418 2.408 10 0 CEAERP CC[N@H+](Cc1ccc(C[NH2+]C)cc1)[C@H](C)COC ZINC000052504991 521307252 /nfs/dbraw/zinc/30/72/52/521307252.db2.gz ILNLJGBRAJJHLR-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)C(C)(C)CC ZINC000069443240 521323594 /nfs/dbraw/zinc/32/35/94/521323594.db2.gz QKKDKRDJQOUKLI-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP CCOc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642745 521413241 /nfs/dbraw/zinc/41/32/41/521413241.db2.gz URHPQDXUXDIZDK-NVXWUHKLSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH+]1CCC(CN2[C@@H]3CCC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054602791 521549012 /nfs/dbraw/zinc/54/90/12/521549012.db2.gz NCLZZHOKIOBTGN-ALOPSCKCSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181080 521566178 /nfs/dbraw/zinc/56/61/78/521566178.db2.gz YEIZDBVMLMEWPX-UHFFFAOYSA-N 2 0 294.468 2.400 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](C)CN2CCCC2)CC1 ZINC000049150124 521582703 /nfs/dbraw/zinc/58/27/03/521582703.db2.gz MAIUVULSZHBMSM-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CCC(CC)[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075368 521595713 /nfs/dbraw/zinc/59/57/13/521595713.db2.gz GHRKGOSHSRQCOL-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@H+](CCCC[NH2+]CC(C)C)CCN(C)C ZINC000052544114 521651675 /nfs/dbraw/zinc/65/16/75/521651675.db2.gz IPRRRYWXMIRQMU-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484098 521656028 /nfs/dbraw/zinc/65/60/28/521656028.db2.gz NYUACUDFDWOXOH-JKSUJKDBSA-N 2 0 298.471 2.423 10 0 CEAERP CC[NH+]1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559453 521685937 /nfs/dbraw/zinc/68/59/37/521685937.db2.gz ZDLHGGDFHWONHB-PMPSAXMXSA-N 2 0 267.461 2.024 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642580 521872294 /nfs/dbraw/zinc/87/22/94/521872294.db2.gz MGUZIWXBJFSQNA-CVEARBPZSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069182060 521876421 /nfs/dbraw/zinc/87/64/21/521876421.db2.gz NTVTXBCFXHBXTM-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346218 522057886 /nfs/dbraw/zinc/05/78/86/522057886.db2.gz YILZUWGIVYZMAW-LSDHHAIUSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]C[C@H](OCC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000052673726 522075690 /nfs/dbraw/zinc/07/56/90/522075690.db2.gz QZDZXFNMBNIVLH-CVEARBPZSA-N 2 0 262.397 2.448 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CC[NH+](CC(C)C)CC1 ZINC000055080294 522114937 /nfs/dbraw/zinc/11/49/37/522114937.db2.gz YLVZYSJAUJUMHB-UHFFFAOYSA-N 2 0 279.403 2.323 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)CCc2ccncc2)c1 ZINC000052483069 522126781 /nfs/dbraw/zinc/12/67/81/522126781.db2.gz LLIWDHPMBNMOLK-UHFFFAOYSA-N 2 0 269.392 2.476 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074471 522129555 /nfs/dbraw/zinc/12/95/55/522129555.db2.gz AQJKLJUBYVRJJV-ZBFHGGJFSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000055076313 522137069 /nfs/dbraw/zinc/13/70/69/522137069.db2.gz QPMQANOPOHPNGQ-GHMZBOCLSA-N 2 0 268.430 2.083 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540371 522137628 /nfs/dbraw/zinc/13/76/28/522137628.db2.gz LAODJGXGBWVUFF-HOTGVXAUSA-N 2 0 260.381 2.159 10 0 CEAERP C[NH2+]Cc1ccoc1COCC[NH+]1CCCCC1 ZINC000052670765 522141976 /nfs/dbraw/zinc/14/19/76/522141976.db2.gz NDJVEDCENQVUMI-UHFFFAOYSA-N 2 0 252.358 2.002 10 0 CEAERP C[NH2+][C@@H](CCN1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000062970202 522345178 /nfs/dbraw/zinc/34/51/78/522345178.db2.gz IZOLJJINAMAIRV-IRXDYDNUSA-N 2 0 275.440 2.282 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477568 522543034 /nfs/dbraw/zinc/54/30/34/522543034.db2.gz HKEWMJUIZPCLJM-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052479532 523417974 /nfs/dbraw/zinc/41/79/74/523417974.db2.gz QFFBDMLCVYFDKU-HOTGVXAUSA-N 2 0 291.439 2.449 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C[NH2+]C ZINC000052571227 523507580 /nfs/dbraw/zinc/50/75/80/523507580.db2.gz USGDTZAJWIPCRS-XJKSGUPXSA-N 2 0 262.397 2.405 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206219 523798659 /nfs/dbraw/zinc/79/86/59/523798659.db2.gz BDNWFNDCFCLSMX-HNNXBMFYSA-N 2 0 264.417 2.127 10 0 CEAERP C[N@@H+]1CCC[C@H]1CCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052673656 523847564 /nfs/dbraw/zinc/84/75/64/523847564.db2.gz YNEIFEXPSWIIRX-JYJNAYRXSA-N 2 0 298.471 2.423 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000055068751 523961147 /nfs/dbraw/zinc/96/11/47/523961147.db2.gz VNJSRUNEFPLWTC-LBPRGKRZSA-N 2 0 265.376 2.205 10 0 CEAERP CC[C@H](C)[NH2+]C[C@H](C)N(C)C1CC[NH+](CC)CC1 ZINC000053496693 524003686 /nfs/dbraw/zinc/00/36/86/524003686.db2.gz ADJSWVIZIFNJMO-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075236 524003747 /nfs/dbraw/zinc/00/37/47/524003747.db2.gz XNNOAZNTWWTDLI-KKUMJFAQSA-N 2 0 255.450 2.179 10 0 CEAERP COc1ccc(C[N@H+](CCC(N)=[NH2+])CC(C)C)cc1 ZINC000068817402 524012583 /nfs/dbraw/zinc/01/25/83/524012583.db2.gz FOYSXTRJCZMDRF-UHFFFAOYSA-N 2 0 263.385 2.479 10 0 CEAERP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[NH2+]2)CCCCC1 ZINC000050949857 524035537 /nfs/dbraw/zinc/03/55/37/524035537.db2.gz DNFIDYKZDKWTQS-OAHLLOKOSA-N 2 0 295.471 2.289 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953605 524049667 /nfs/dbraw/zinc/04/96/67/524049667.db2.gz RDGVFIRVMUOUEV-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP C[C@@H]1CCC[C@@](CNc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000050606217 524338695 /nfs/dbraw/zinc/33/86/95/524338695.db2.gz JKGLHYHQVWDMNO-TZMCWYRMSA-N 2 0 250.390 2.343 10 0 CEAERP C[C@@H](CCC[NH3+])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702318 524456183 /nfs/dbraw/zinc/45/61/83/524456183.db2.gz VFBMAOARNFMFBO-GOEBONIOSA-N 2 0 262.397 2.405 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643506 525191843 /nfs/dbraw/zinc/19/18/43/525191843.db2.gz UVUNYIUQGLRHSY-LXZKKBNFSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000062978553 525951174 /nfs/dbraw/zinc/95/11/74/525951174.db2.gz GPOSBRHBCOHBJO-WMZOPIPTSA-N 2 0 287.451 2.473 10 0 CEAERP Cc1ccc2ccn(CC[NH2+]CCC[NH+](C)C)c2c1 ZINC000053528563 526240527 /nfs/dbraw/zinc/24/05/27/526240527.db2.gz HZSJFMIOKYDXIJ-UHFFFAOYSA-N 2 0 259.397 2.491 10 0 CEAERP Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896317 526952387 /nfs/dbraw/zinc/95/23/87/526952387.db2.gz JVLBYUQEYFTRMV-KOLCDFICSA-N 2 0 268.430 2.002 10 0 CEAERP Cc1nc(N2CC[NH+](CC(C)C)CC2)sc1[C@H](C)[NH3+] ZINC000055076381 526968538 /nfs/dbraw/zinc/96/85/38/526968538.db2.gz YWOYRKCLYBSKQY-NSHDSACASA-N 2 0 282.457 2.249 10 0 CEAERP [NH3+]C1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000055144437 527140075 /nfs/dbraw/zinc/14/00/75/527140075.db2.gz BJJMTWQGPFWPSK-UHFFFAOYSA-N 3 0 265.445 2.207 10 0 CEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757217693 574513237 /nfs/dbraw/zinc/51/32/37/574513237.db2.gz SACDGQRTELKFCD-JQEKQURRSA-N 2 0 252.383 2.195 10 0 CEAERP CCN(C/C=C\c1ccccc1)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000096859304 623649295 /nfs/dbraw/zinc/64/92/95/623649295.db2.gz GCLLDBKCXNKOKB-CLOOOTJHSA-N 2 0 289.423 2.005 10 0 CEAERP C[C@H]1CCC[C@@](C[NH2+]C2CCC([NH3+])CC2)(N(C)C)C1 ZINC000094088114 628755945 /nfs/dbraw/zinc/75/59/45/628755945.db2.gz QFLDVRIBIRKTGT-SLTXQBBLSA-N 2 0 267.461 2.356 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178980973 629879561 /nfs/dbraw/zinc/87/95/61/629879561.db2.gz ODHGWSFALCJYRB-HNNXBMFYSA-N 2 0 276.428 2.173 10 0 CEAERP CC(C)(C)n1cc([C@H]2CC[C@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757237539 631838482 /nfs/dbraw/zinc/83/84/82/631838482.db2.gz QEWPQDPOJJXJDY-DGCLKSJQSA-N 2 0 250.390 2.028 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757242395 631843165 /nfs/dbraw/zinc/84/31/65/631843165.db2.gz YGKMCBURTUEQKF-NTZNESFSSA-N 2 0 250.390 2.026 10 0 CEAERP C[N@H+](Cc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]CC1 ZINC000231454383 639855297 /nfs/dbraw/zinc/85/52/97/639855297.db2.gz CTTXWFBSVXRRNA-HNNXBMFYSA-N 2 0 260.381 2.195 10 0 CEAERP CC(C)(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000324439896 640577236 /nfs/dbraw/zinc/57/72/36/640577236.db2.gz VKRWXGPEXLJZIO-CABCVRRESA-N 2 0 268.445 2.248 10 0 CEAERP CC/C=C(\C)C[N@@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000067879525 641351402 /nfs/dbraw/zinc/35/14/02/641351402.db2.gz UERRTPYFPMBVNY-SXSSENBOSA-N 2 0 293.455 2.052 10 0 CEAERP C[C@@H]1CCC[C@](CN[C@@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000129174302 651859142 /nfs/dbraw/zinc/85/91/42/651859142.db2.gz DLOBCOOWXQESFX-OAGGEKHMSA-N 2 0 267.461 2.229 10 0 CEAERP CC[NH+](CC)CCc1nc(C2CC2)c(C[NH3+])s1 ZINC000082441451 178021331 /nfs/dbraw/zinc/02/13/31/178021331.db2.gz COITTXQVAHIZMP-UHFFFAOYSA-N 2 0 253.415 2.364 10 0 CEAERP [NH3+]C1CCC2(CC1)C[N@H+](Cc1ccccc1)CCO2 ZINC000096949575 185139221 /nfs/dbraw/zinc/13/92/21/185139221.db2.gz HJRDZKWHPGINMA-UHFFFAOYSA-N 2 0 260.381 2.159 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccc(Br)nc2)CC1 ZINC000257353631 344647729 /nfs/dbraw/zinc/64/77/29/344647729.db2.gz SEITXGBMUXFZHT-XYPYZODXSA-N 2 0 284.201 2.204 10 0 CEAERP Nc1c[nH+]ccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000306242175 344712600 /nfs/dbraw/zinc/71/26/00/344712600.db2.gz VUITXXYCYIOJNA-UHFFFAOYSA-N 2 0 282.391 2.376 10 0 CEAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129098804 232211374 /nfs/dbraw/zinc/21/13/74/232211374.db2.gz IWCPYTCGGOWOOG-UKRRQHHQSA-N 2 0 262.397 2.445 10 0 CEAERP CN(C)C(=O)CCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403643 179052875 /nfs/dbraw/zinc/05/28/75/179052875.db2.gz BVTUZXWWIJJBMA-MRXNPFEDSA-N 2 0 295.471 2.099 10 0 CEAERP CC[NH+](CC)CCCn1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085569203 179095844 /nfs/dbraw/zinc/09/58/44/179095844.db2.gz IDRVIUCQTPRRCG-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP CC(C)c1nc2c(n1C[C@@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572509 179097359 /nfs/dbraw/zinc/09/73/59/179097359.db2.gz JDHQRUBPJSVIGW-CQSZACIVSA-N 2 0 290.455 2.383 10 0 CEAERP CC(C)Cc1nc2c(n1[C@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573155 179098004 /nfs/dbraw/zinc/09/80/04/179098004.db2.gz JPVNXNISUCFQAG-MRXNPFEDSA-N 2 0 292.471 2.486 10 0 CEAERP C[N@H+](CCn1c2c(nc1C1CCCC1)C[NH2+]CC2)C1CC1 ZINC000085606894 179100196 /nfs/dbraw/zinc/10/01/96/179100196.db2.gz YEAOEMHAESLFOX-UHFFFAOYSA-N 2 0 288.439 2.281 10 0 CEAERP C[N@@H+]1CC[C@@H](Cn2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606456 179100542 /nfs/dbraw/zinc/10/05/42/179100542.db2.gz BVCRIZYKUAUOQB-CYBMUJFWSA-N 2 0 288.439 2.138 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C12CCCC2 ZINC000085679935 179113053 /nfs/dbraw/zinc/11/30/53/179113053.db2.gz IHHQJRGRZPFNTB-SOUVJXGZSA-N 2 0 266.429 2.266 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143110 179237791 /nfs/dbraw/zinc/23/77/91/179237791.db2.gz VWIWCSKGSHEYCK-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086173855 179244162 /nfs/dbraw/zinc/24/41/62/179244162.db2.gz JKPYZRJOSJDJCD-ZACQAIPSSA-N 2 0 279.472 2.178 10 0 CEAERP CC(C)[C@H]1C[N@H+](CCCC[NH+](C)C)[C@@H](C(C)C)CN1 ZINC000086174306 179245446 /nfs/dbraw/zinc/24/54/46/179245446.db2.gz DPQPCMXAVPXLMA-HZPDHXFCSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086217786 179249701 /nfs/dbraw/zinc/24/97/01/179249701.db2.gz SQZZJNYCERBRSB-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224018 179253265 /nfs/dbraw/zinc/25/32/65/179253265.db2.gz NCMSQXIGUBOKSS-CVEARBPZSA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223926 179253444 /nfs/dbraw/zinc/25/34/44/179253444.db2.gz RKFLLCXJWZUYFO-IXDOHACOSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225421 179253733 /nfs/dbraw/zinc/25/37/33/179253733.db2.gz GZKWTPSKMUPNGJ-JKSUJKDBSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259324 179258104 /nfs/dbraw/zinc/25/81/04/179258104.db2.gz QRDHGLOZGBZUOS-GVDBMIGSSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259117 179258137 /nfs/dbraw/zinc/25/81/37/179258137.db2.gz DQKNOGUFTROAKU-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261109 179259919 /nfs/dbraw/zinc/25/99/19/179259919.db2.gz TYZPWGJPWVFLNG-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261098 179260526 /nfs/dbraw/zinc/26/05/26/179260526.db2.gz OWUYBXWUKYNHCL-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259078 179256630 /nfs/dbraw/zinc/25/66/30/179256630.db2.gz NQPQAPLILGUWNL-HOTGVXAUSA-N 2 0 267.461 2.037 10 0 CEAERP CCC1(CC)CN([C@@H]2CC[N@@H+](C3CC3)C2)CCC[NH2+]1 ZINC000086291997 179266177 /nfs/dbraw/zinc/26/61/77/179266177.db2.gz NJAGXNRLSRDYGO-OAHLLOKOSA-N 2 0 265.445 2.077 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086400827 179284993 /nfs/dbraw/zinc/28/49/93/179284993.db2.gz RHYYITNDLOHUQX-IUCAKERBSA-N 2 0 275.215 2.480 10 0 CEAERP CN(c1nc2c(s1)CCC[C@@H]2[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000086443081 179294126 /nfs/dbraw/zinc/29/41/26/179294126.db2.gz MGNXOFGGVUWPHE-QWRGUYRKSA-N 2 0 280.441 2.010 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848653 179357297 /nfs/dbraw/zinc/35/72/97/179357297.db2.gz YFIKCUBYKSNYGS-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841925 179353150 /nfs/dbraw/zinc/35/31/50/179353150.db2.gz APJOEPRZMJZABE-CVEARBPZSA-N 2 0 274.408 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@H](NCC[NH+](C)C2CCCC2)CC1 ZINC000086844946 179355395 /nfs/dbraw/zinc/35/53/95/179355395.db2.gz JKSUOCHAPYJZQT-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846793 179355466 /nfs/dbraw/zinc/35/54/66/179355466.db2.gz WJRSFUQDXWQYMC-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850880 179358374 /nfs/dbraw/zinc/35/83/74/179358374.db2.gz IWSINFQXJANTQP-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP COCCC[N@H+](CCOC)[C@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891124 179366203 /nfs/dbraw/zinc/36/62/03/179366203.db2.gz XBSFBMMHAXGZMK-HZPDHXFCSA-N 2 0 286.460 2.269 10 0 CEAERP CC[C@@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086917013 179368194 /nfs/dbraw/zinc/36/81/94/179368194.db2.gz GIPZLFBYJCEEBD-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP C[C@H]1CCC[C@](CNC(=O)C(C)(C)C(C)(C)[NH3+])([NH+](C)C)C1 ZINC000087628773 179459284 /nfs/dbraw/zinc/45/92/84/179459284.db2.gz GAYIGTUCQHWEKO-GUYCJALGSA-N 2 0 297.487 2.377 10 0 CEAERP COc1ccc(CC[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000088101638 179548024 /nfs/dbraw/zinc/54/80/24/179548024.db2.gz NWENEAQADUQPBX-ZDUSSCGKSA-N 2 0 250.386 2.168 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000088276439 539670483 /nfs/dbraw/zinc/67/04/83/539670483.db2.gz OEQZAEJYIPCKME-GJZGRUSLSA-N 2 0 285.476 2.090 10 0 CEAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000400355393 233176436 /nfs/dbraw/zinc/17/64/36/233176436.db2.gz OGJSLGPHCNVXEP-CIRFHOKZSA-N 2 0 287.451 2.237 10 0 CEAERP C[NH+](C)CCN(C(=O)[C@H]1CCCC[C@H]1C[NH3+])C1CCCC1 ZINC000089392881 179779433 /nfs/dbraw/zinc/77/94/33/179779433.db2.gz BLQINZMUCOLRMC-HOCLYGCPSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+](CC)CCCn1cncc1C[NH2+]CC(C)C ZINC000090240576 179938043 /nfs/dbraw/zinc/93/80/43/179938043.db2.gz UNFIDGUEOGCCQR-UHFFFAOYSA-N 2 0 266.433 2.361 10 0 CEAERP CCC[NH2+]Cc1cncn1CCC[NH+](CC)CC ZINC000090240573 179938211 /nfs/dbraw/zinc/93/82/11/179938211.db2.gz YSHHGNCWIRKYKL-UHFFFAOYSA-N 2 0 252.406 2.115 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH+]1CCCCCCC1 ZINC000090566083 180005865 /nfs/dbraw/zinc/00/58/65/180005865.db2.gz NTPVGRFCZRLWAX-CABCVRRESA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]CC1(C)CCCC1 ZINC000090567000 180006391 /nfs/dbraw/zinc/00/63/91/180006391.db2.gz RZZORHQQTBMXJB-ZIAGYGMSSA-N 2 0 254.418 2.171 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000090566758 180006939 /nfs/dbraw/zinc/00/69/39/180006939.db2.gz HKPBYOZLGRWYEP-OKZBNKHCSA-N 2 0 288.435 2.491 10 0 CEAERP CC[N@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876223 180051174 /nfs/dbraw/zinc/05/11/74/180051174.db2.gz DKXCHTDHKXWTAE-OAHLLOKOSA-N 2 0 260.381 2.064 10 0 CEAERP Fc1ccc2c(c1)C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892240 180053624 /nfs/dbraw/zinc/05/36/24/180053624.db2.gz KCSIYWBTHYBXOO-LRDDRELGSA-N 2 0 290.382 2.203 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@H]2Cc3cc(C)ccc3O2)CC1 ZINC000090898951 180058515 /nfs/dbraw/zinc/05/85/15/180058515.db2.gz FVGKELIFMJQHQK-MRXNPFEDSA-N 2 0 274.408 2.230 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958344 180074466 /nfs/dbraw/zinc/07/44/66/180074466.db2.gz PCSRZHGREQRRIR-LLVKDONJSA-N 2 0 282.457 2.079 10 0 CEAERP C[C@@H](C[NH2+]Cc1ccccc1N)C[NH+]1CCCCC1 ZINC000090962297 180076489 /nfs/dbraw/zinc/07/64/89/180076489.db2.gz DHUIMBROZIZVFE-AWEZNQCLSA-N 2 0 261.413 2.480 10 0 CEAERP COCC[NH2+]CC1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977576 180079036 /nfs/dbraw/zinc/07/90/36/180079036.db2.gz IVLYQLUJGIBYMN-QGZVFWFLSA-N 2 0 288.435 2.274 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(C)[C@@H](C)c1cccs1 ZINC000091322803 180134593 /nfs/dbraw/zinc/13/45/93/180134593.db2.gz XHIANZNKDJGFNR-QWHCGFSZSA-N 2 0 297.468 2.327 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091430337 180152926 /nfs/dbraw/zinc/15/29/26/180152926.db2.gz ZTKVDYXYZVWKLI-RYUDHWBXSA-N 2 0 282.457 2.344 10 0 CEAERP C[NH+](C)[C@H]1CCCN(Cc2c3ccccc3oc2C[NH3+])C1 ZINC000091431928 180153587 /nfs/dbraw/zinc/15/35/87/180153587.db2.gz PZHQFXMMOQJEBC-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432654 180153822 /nfs/dbraw/zinc/15/38/22/180153822.db2.gz BEKJUIBRZJVPGZ-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091433232 180154610 /nfs/dbraw/zinc/15/46/10/180154610.db2.gz PKNVGUWFZIPWAE-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@@H](CC[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091489215 180168220 /nfs/dbraw/zinc/16/82/20/180168220.db2.gz FCTGVBJUGLCUPM-BCLQGDPASA-N 2 0 262.397 2.040 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499463 180174044 /nfs/dbraw/zinc/17/40/44/180174044.db2.gz HYNOZFBERFDQPV-KNIAUWFNSA-N 2 0 268.445 2.248 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499462 180174137 /nfs/dbraw/zinc/17/41/37/180174137.db2.gz HYNOZFBERFDQPV-GYTBAZASSA-N 2 0 268.445 2.248 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391680 180145062 /nfs/dbraw/zinc/14/50/62/180145062.db2.gz BHDZEJHMBHEKMS-RDBSUJKOSA-N 2 0 281.469 2.471 10 0 CEAERP CCOc1ccccc1[C@@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393894 180145718 /nfs/dbraw/zinc/14/57/18/180145718.db2.gz ZBRUQMNIVFIXJW-GOEBONIOSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c(C)s1 ZINC000091392810 180145753 /nfs/dbraw/zinc/14/57/53/180145753.db2.gz CDLGDNKAZNFXJQ-ZFWWWQNUSA-N 2 0 281.469 2.391 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000091404643 180146966 /nfs/dbraw/zinc/14/69/66/180146966.db2.gz AZFIQVPYAYNIMT-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091427486 180151987 /nfs/dbraw/zinc/15/19/87/180151987.db2.gz WKWABUWXLLQTKZ-SWLSCSKDSA-N 2 0 290.411 2.264 10 0 CEAERP C[NH2+][C@@H](CC1CCOCC1)C(C)(C)[NH+]1CCCC1 ZINC000091534637 180181214 /nfs/dbraw/zinc/18/12/14/180181214.db2.gz LYMXDRGMJSCAQK-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@H](CC1CCOCC1)C1([NH+](C)C)CCCC1 ZINC000091637576 180212418 /nfs/dbraw/zinc/21/24/18/180212418.db2.gz IESOMHFSGWBELE-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@H]([C@@H]1CCOC1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649067 180216418 /nfs/dbraw/zinc/21/64/18/180216418.db2.gz RSTSJVZPHMQQAS-PIOWNMBXSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1nn(C)c2ccccc12 ZINC000091715746 180232045 /nfs/dbraw/zinc/23/20/45/180232045.db2.gz LIMBDYYNSAQMOU-ZDUSSCGKSA-N 2 0 274.412 2.175 10 0 CEAERP CCc1ccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720703 180235750 /nfs/dbraw/zinc/23/57/50/180235750.db2.gz LWCCYUUYAGMGQU-OAGGEKHMSA-N 2 0 260.381 2.112 10 0 CEAERP CC[N@H+](Cc1nccn1C(F)F)C1CCC([NH3+])CC1 ZINC000091850649 180272381 /nfs/dbraw/zinc/27/23/81/180272381.db2.gz MOYPCIZCQWUIOQ-UHFFFAOYSA-N 2 0 272.343 2.370 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCOC(F)(F)F)CC1 ZINC000091870411 180276871 /nfs/dbraw/zinc/27/68/71/180276871.db2.gz HRIJRLXOHKTINH-UHFFFAOYSA-N 2 0 268.323 2.375 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@@H](O)C(F)(F)F)CC1 ZINC000091870007 180277058 /nfs/dbraw/zinc/27/70/58/180277058.db2.gz PMUHJECRLMVJGT-HTAVTVPLSA-N 2 0 282.350 2.152 10 0 CEAERP CCCN1CCC([N@H+](C)C2CCC([NH2+]C)CC2)CC1 ZINC000091871241 180277070 /nfs/dbraw/zinc/27/70/70/180277070.db2.gz YWXBJBQCMOEMEG-UHFFFAOYSA-N 2 0 267.461 2.323 10 0 CEAERP CCCNC(=O)[C@H](C)[N@H+](C)C1CCC([NH2+]CCC)CC1 ZINC000091870161 180277130 /nfs/dbraw/zinc/27/71/30/180277130.db2.gz QUEQLLPADVXQOG-NFOMZHRRSA-N 2 0 283.460 2.144 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000091870558 180277272 /nfs/dbraw/zinc/27/72/72/180277272.db2.gz LCNJJBAJHLJORS-VQCLRJIVSA-N 2 0 289.423 2.476 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cccc(OC)n2)CC1 ZINC000091870515 180277470 /nfs/dbraw/zinc/27/74/70/180277470.db2.gz ZREWYMUEWIJICO-UHFFFAOYSA-N 2 0 263.385 2.053 10 0 CEAERP CCCCNC(=O)[C@@H](C)[N@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870348 180277581 /nfs/dbraw/zinc/27/75/81/180277581.db2.gz BKUWPWHMRPWAOJ-WLYUNCDWSA-N 2 0 283.460 2.144 10 0 CEAERP CCCC1CCC(C[NH3+])(C2(O)CC[NH2+]CC2)CC1 ZINC000091907157 180284220 /nfs/dbraw/zinc/28/42/20/180284220.db2.gz KXLMTBIENSHFSN-UHFFFAOYSA-N 2 0 254.418 2.036 10 0 CEAERP CCC[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922612 180286639 /nfs/dbraw/zinc/28/66/39/180286639.db2.gz LZTSMFSLQXVEDC-HNNXBMFYSA-N 2 0 254.418 2.133 10 0 CEAERP CCN1CCO[C@@H](C[N@H+](CCC[NH3+])C2CCCCCC2)C1 ZINC000092051429 180312548 /nfs/dbraw/zinc/31/25/48/180312548.db2.gz VVAVUZDDKVDERN-QGZVFWFLSA-N 2 0 297.487 2.081 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090278 180322053 /nfs/dbraw/zinc/32/20/53/180322053.db2.gz YHRDUXSZFAWONK-OWCLPIDISA-N 2 0 270.461 2.495 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc21 ZINC000092308067 180360972 /nfs/dbraw/zinc/36/09/72/180360972.db2.gz HSLMCSZFOYREGP-HNNXBMFYSA-N 2 0 274.408 2.484 10 0 CEAERP CC(C)[C@H]1CSC(NCC[NH+]2CCCCC2)=[NH+]1 ZINC000092402441 180377436 /nfs/dbraw/zinc/37/74/36/180377436.db2.gz GNNPAVSLILMATE-GFCCVEGCSA-N 2 0 255.431 2.189 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000092402532 180378035 /nfs/dbraw/zinc/37/80/35/180378035.db2.gz XILXXOAOKYIWKW-QWHCGFSZSA-N 2 0 269.458 2.434 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(NC)cc[nH+]2)CC1 ZINC000092418646 180381545 /nfs/dbraw/zinc/38/15/45/180381545.db2.gz OFXFKQQLCRFPBC-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2)CC[N@@H+]1C ZINC000107906987 186197490 /nfs/dbraw/zinc/19/74/90/186197490.db2.gz YXYRBVBYUXMPCO-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP CC[NH2+][C@@H](CN(C)C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC000092627503 180419038 /nfs/dbraw/zinc/41/90/38/180419038.db2.gz ZQNRKCZLMWAAFD-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109495996 186256543 /nfs/dbraw/zinc/25/65/43/186256543.db2.gz KAKWEQCMVPCNLW-CHWSQXEVSA-N 2 0 280.416 2.329 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+] ZINC000109684952 186268432 /nfs/dbraw/zinc/26/84/32/186268432.db2.gz JUMXJQFSMLBQFC-GBJTYRQASA-N 2 0 282.428 2.168 10 0 CEAERP CCc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]C1CC1 ZINC000110275392 186289963 /nfs/dbraw/zinc/28/99/63/186289963.db2.gz FWKPDVYBDMMBLX-LBPRGKRZSA-N 2 0 294.468 2.098 10 0 CEAERP [NH2+]=C(NC1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110368925 186294561 /nfs/dbraw/zinc/29/45/61/186294561.db2.gz NUKFNFIQVFWPMG-OAHLLOKOSA-N 2 0 278.444 2.404 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)CC1CCC(C[NH3+])CC1 ZINC000110617790 186304864 /nfs/dbraw/zinc/30/48/64/186304864.db2.gz WPVQTHRBKNQRHR-UHFFFAOYSA-N 2 0 297.487 2.188 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)CC2CCC(C[NH3+])CC2)CC1 ZINC000110618207 186305503 /nfs/dbraw/zinc/30/55/03/186305503.db2.gz FVVZDTFXGULOFH-UHFFFAOYSA-N 2 0 295.471 2.084 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)cc1F ZINC000110977949 186339434 /nfs/dbraw/zinc/33/94/34/186339434.db2.gz NJANLFSKDXVPOF-INIZCTEOSA-N 2 0 279.403 2.162 10 0 CEAERP COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705126 186314310 /nfs/dbraw/zinc/31/43/10/186314310.db2.gz XMHHMZWUWBYCGN-CZUORRHYSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704643 186314760 /nfs/dbraw/zinc/31/47/60/186314760.db2.gz GQMPDXLOUSKUNO-GDBMZVCRSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110712595 186315330 /nfs/dbraw/zinc/31/53/30/186315330.db2.gz LEBOANQTADBOGJ-XKQJLSEDSA-N 2 0 273.424 2.027 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716905 186315919 /nfs/dbraw/zinc/31/59/19/186315919.db2.gz WWRUKEHXXASRDA-KKUMJFAQSA-N 2 0 267.461 2.179 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716473 186316138 /nfs/dbraw/zinc/31/61/38/186316138.db2.gz HNAMYZZSSGMDLC-HNNXBMFYSA-N 2 0 261.413 2.021 10 0 CEAERP CCC[C@](C)(C[NH2+]CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747095 186320010 /nfs/dbraw/zinc/32/00/10/186320010.db2.gz WTSXKSNZPHOMMM-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039971 186347292 /nfs/dbraw/zinc/34/72/92/186347292.db2.gz OMMXUDOOJDPPSY-WFASDCNBSA-N 2 0 297.393 2.381 10 0 CEAERP CCc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]C(C)C ZINC000111151756 186360974 /nfs/dbraw/zinc/36/09/74/186360974.db2.gz ICKDUDBTWLSFSG-UHFFFAOYSA-N 2 0 284.473 2.201 10 0 CEAERP CCC[NH2+]Cc1ccc(CN(C)CCC[NH+](C)C)o1 ZINC000111150136 186360997 /nfs/dbraw/zinc/36/09/97/186360997.db2.gz DRGQPEBHMIAVCK-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000111132978 186355854 /nfs/dbraw/zinc/35/58/54/186355854.db2.gz VUMUMAHAPOWDOC-CYBMUJFWSA-N 2 0 289.345 2.199 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111131591 186356188 /nfs/dbraw/zinc/35/61/88/186356188.db2.gz KLKJNIIVANFGIZ-DGCLKSJQSA-N 2 0 255.431 2.020 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000111131401 186356237 /nfs/dbraw/zinc/35/62/37/186356237.db2.gz UATZDOWZBPVHPO-CVEARBPZSA-N 2 0 281.419 2.488 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)CCC[NH+](C)C ZINC000111136474 186356898 /nfs/dbraw/zinc/35/68/98/186356898.db2.gz OYFKJSVMELZIPR-GOEBONIOSA-N 2 0 263.429 2.219 10 0 CEAERP CC(C)Cc1ccc([C@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111134695 186357074 /nfs/dbraw/zinc/35/70/74/186357074.db2.gz XXNKEAPFLFNELP-QGZVFWFLSA-N 2 0 277.456 2.378 10 0 CEAERP CCCOc1ccc([C@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136552 186357260 /nfs/dbraw/zinc/35/72/60/186357260.db2.gz BRBWMSFUAYCTAV-QGZVFWFLSA-N 2 0 293.455 2.359 10 0 CEAERP CCC[NH2+][C@H](CN(C)CCC[NH+](C)C)C(C)(C)C ZINC000111135991 186357555 /nfs/dbraw/zinc/35/75/55/186357555.db2.gz ZDWFEFMUYPZNHI-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccc(OC)cc1 ZINC000111136199 186357609 /nfs/dbraw/zinc/35/76/09/186357609.db2.gz MNLIFRFNXFTGRQ-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111147993 186358241 /nfs/dbraw/zinc/35/82/41/186358241.db2.gz OKTJMRASZABNCO-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1ccccc1F ZINC000111147277 186358799 /nfs/dbraw/zinc/35/87/99/186358799.db2.gz ALJBYVQSNYCHFX-INIZCTEOSA-N 2 0 281.419 2.360 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN(C)CCC[NH+](C)C ZINC000111148197 186359248 /nfs/dbraw/zinc/35/92/48/186359248.db2.gz ZJFXDAGUMNVVTF-MRXNPFEDSA-N 2 0 263.429 2.268 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111148237 186359551 /nfs/dbraw/zinc/35/95/51/186359551.db2.gz LBGXHPFTVWCDQM-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]CC(C)(C)C[N@H+](C)C[C@H]1CCCOC1 ZINC000111171906 186365578 /nfs/dbraw/zinc/36/55/78/186365578.db2.gz ZBXWUUAOXJRVST-CQSZACIVSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[NH2+]C[C@]1(C[NH+]2CCC(OCC)CC2)CCCOC1 ZINC000111326113 186399127 /nfs/dbraw/zinc/39/91/27/186399127.db2.gz QFIWGLJCAGVYAI-KRWDZBQOSA-N 2 0 298.471 2.284 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000111708516 186448693 /nfs/dbraw/zinc/44/86/93/186448693.db2.gz YQGFMNNSZSGDAP-WMLDXEAASA-N 2 0 276.424 2.214 10 0 CEAERP CO[C@@H]1C[N@H+](CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369554 351714033 /nfs/dbraw/zinc/71/40/33/351714033.db2.gz WJHCKBUZBGMYIT-DZGCQCFKSA-N 2 0 254.418 2.251 10 0 CEAERP Cc1c[nH+]ccc1N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630525335 351772486 /nfs/dbraw/zinc/77/24/86/351772486.db2.gz DSWQDTHQYVQWFP-MNOVXSKESA-N 2 0 273.302 2.354 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094446947 539879183 /nfs/dbraw/zinc/87/91/83/539879183.db2.gz RYSGPXQFYHSXDE-HRCADAONSA-N 2 0 295.471 2.083 10 0 CEAERP Cc1cc(N2CCO[C@@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000156548979 540008336 /nfs/dbraw/zinc/00/83/36/540008336.db2.gz SIINFYDKINVCAI-MLGOLLRUSA-N 2 0 271.364 2.096 10 0 CEAERP C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)[C@H]1CCC[NH2+]C1 ZINC000578518509 366506283 /nfs/dbraw/zinc/50/62/83/366506283.db2.gz MRTBWFMFGPDRAO-MELADBBJSA-N 2 0 281.469 2.329 10 0 CEAERP CC(C)c1ccc([C@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729512 361362215 /nfs/dbraw/zinc/36/22/15/361362215.db2.gz ZDNZIKLNTLNJNQ-MRXNPFEDSA-N 2 0 262.397 2.267 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000085977619 363836833 /nfs/dbraw/zinc/83/68/33/363836833.db2.gz IITRRLIHXICVIO-RHSMWYFYSA-N 2 0 289.423 2.191 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093649211 364208527 /nfs/dbraw/zinc/20/85/27/364208527.db2.gz TXKFDWPRDOOGJL-CYBMUJFWSA-N 2 0 266.433 2.329 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094074343 364250308 /nfs/dbraw/zinc/25/03/08/364250308.db2.gz WCEHOTDRJGVZSK-WLYUNCDWSA-N 3 0 255.450 2.356 10 0 CEAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400398971 299348807 /nfs/dbraw/zinc/34/88/07/299348807.db2.gz PYDZVELLGLSLBD-IMJJTQAJSA-N 2 0 261.413 2.019 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](CCCC(=O)OC)C1 ZINC000116399427 365053709 /nfs/dbraw/zinc/05/37/09/365053709.db2.gz WOFSURYALIQSOD-ZDUSSCGKSA-N 2 0 279.384 2.036 10 0 CEAERP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631837692 367577375 /nfs/dbraw/zinc/57/73/75/367577375.db2.gz WFIHSTUJTNAMJS-NWDGAFQWSA-N 2 0 268.401 2.444 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000185343106 368791325 /nfs/dbraw/zinc/79/13/25/368791325.db2.gz MPIVQLIXOOAFLY-OAHLLOKOSA-N 2 0 297.487 2.378 10 0 CEAERP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@H]1CC ZINC000191980676 369760296 /nfs/dbraw/zinc/76/02/96/369760296.db2.gz NQYBMFGINWCXFO-OAHLLOKOSA-N 2 0 277.412 2.327 10 0 CEAERP CC(=O)Nc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231454175 370479496 /nfs/dbraw/zinc/47/94/96/370479496.db2.gz IGNRHFBKXLBRHZ-INIZCTEOSA-N 2 0 275.396 2.219 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3scnc3C3CC3)C[C@H]12 ZINC000261755633 371722049 /nfs/dbraw/zinc/72/20/49/371722049.db2.gz CNBOOZTVMOUECM-SDDRHHMPSA-N 2 0 263.410 2.190 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857974 371753396 /nfs/dbraw/zinc/75/33/96/371753396.db2.gz XOOCAYBPABTXKP-KCPJHIHWSA-N 2 0 292.810 2.444 10 0 CEAERP C[C@@H]1C[C@H]1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262029400 371803186 /nfs/dbraw/zinc/80/31/86/371803186.db2.gz XAFVLDDHMUZTSN-QLFBSQMISA-N 2 0 288.439 2.020 10 0 CEAERP COc1ccc2oc(CN3C[C@H]([NH3+])[C@@H](C)C3)cc2c1 ZINC000262071182 371817105 /nfs/dbraw/zinc/81/71/05/371817105.db2.gz SAXXBOKSVFQXRO-HZMBPMFUSA-N 2 0 260.337 2.220 10 0 CEAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000262274970 371845399 /nfs/dbraw/zinc/84/53/99/371845399.db2.gz SZDWUOMKZLPEHB-AWEZNQCLSA-N 2 0 290.411 2.126 10 0 CEAERP C[C@@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H](C)O1 ZINC000377111045 374793239 /nfs/dbraw/zinc/79/32/39/374793239.db2.gz GLYMCFHUNBOISW-ZPGBFPTHSA-N 2 0 266.429 2.405 10 0 CEAERP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000380177753 375159687 /nfs/dbraw/zinc/15/96/87/375159687.db2.gz ODQYIZCGMBJVNX-LEWSCRJBSA-N 2 0 250.411 2.480 10 0 CEAERP CCC1(CC)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@@H]1OC ZINC000181560613 542274145 /nfs/dbraw/zinc/27/41/45/542274145.db2.gz JDUQZKIGTCEBOC-XHSDSOJGSA-N 2 0 298.471 2.017 10 0 CEAERP CC(C)(C)CC(C)(C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000092721415 184622882 /nfs/dbraw/zinc/62/28/82/184622882.db2.gz DZLVJIUYWQNBMV-UHFFFAOYSA-N 2 0 255.450 2.214 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)C2CCC(C[NH3+])CC2)CC1 ZINC000093425170 184674088 /nfs/dbraw/zinc/67/40/88/184674088.db2.gz GRNJPKUBBJVCQR-UHFFFAOYSA-N 2 0 295.471 2.131 10 0 CEAERP CCOC1CC[NH+](CC[C@H]2CCC[C@H]2[NH2+]C)CC1 ZINC000093552241 184689555 /nfs/dbraw/zinc/68/95/55/184689555.db2.gz KYDYWUVOXSXAFD-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[NH+]1CCCCCC1 ZINC000093584042 184692915 /nfs/dbraw/zinc/69/29/15/184692915.db2.gz YKOADOSZLPEAFS-NVXWUHKLSA-N 2 0 295.471 2.275 10 0 CEAERP C[NH2+][C@H](CN1CC[N@@H+]2CCCC[C@@H]2C1)c1cccc(C)c1 ZINC000094439110 184799535 /nfs/dbraw/zinc/79/95/35/184799535.db2.gz LTAQXCNMKRPQRS-QZTJIDSGSA-N 2 0 287.451 2.426 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1C ZINC000094439184 184799560 /nfs/dbraw/zinc/79/95/60/184799560.db2.gz DDJHVAKSUNDSRI-QZTJIDSGSA-N 2 0 287.451 2.473 10 0 CEAERP C[NH2+][C@H]1[C@@H](N(C)CCC[NH+](C)C)CCCC1(C)C ZINC000094275761 184774046 /nfs/dbraw/zinc/77/40/46/184774046.db2.gz NWILCWRUFITHBF-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP Nc1ccc2[nH]c(NCC[NH+]3CCCCC3)[nH+]c2c1 ZINC000094770628 184858010 /nfs/dbraw/zinc/85/80/10/184858010.db2.gz JCHMHWMBTLILGV-UHFFFAOYSA-N 2 0 259.357 2.043 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CSCC(C)(C)C2)CC1 ZINC000094489498 184809605 /nfs/dbraw/zinc/80/96/05/184809605.db2.gz OKFHGYPFMHJHTQ-ZBFHGGJFSA-N 2 0 299.528 2.263 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000086817589 135048260 /nfs/dbraw/zinc/04/82/60/135048260.db2.gz YSVIIPHZROGNQM-HNNXBMFYSA-N 2 0 288.439 2.124 10 0 CEAERP CC(C)[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000087535133 135050452 /nfs/dbraw/zinc/05/04/52/135050452.db2.gz FANQNHSRRZGDMA-HNNXBMFYSA-N 2 0 261.413 2.040 10 0 CEAERP CC(C)C[C@](C)(O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000090270704 135062975 /nfs/dbraw/zinc/06/29/75/135062975.db2.gz GXFMOTLXXXIFII-KRWDZBQOSA-N 2 0 291.439 2.437 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000091432353 135070012 /nfs/dbraw/zinc/07/00/12/135070012.db2.gz ASADHJDWGPRBAK-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3C=C[C@@H]([NH3+])C3)CC2)c1 ZINC000092208891 135075751 /nfs/dbraw/zinc/07/57/51/135075751.db2.gz BXLJSODLCJFMKR-JKSUJKDBSA-N 2 0 271.408 2.020 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208903 135075810 /nfs/dbraw/zinc/07/58/10/135075810.db2.gz HSCUFMJABQSVQB-HIFRSBDPSA-N 2 0 291.826 2.365 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3C=C[C@H]([NH3+])C3)CC2)c1 ZINC000092208897 135075834 /nfs/dbraw/zinc/07/58/34/135075834.db2.gz BXLJSODLCJFMKR-CVEARBPZSA-N 2 0 271.408 2.020 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H](C)[C@@H](C)C[NH3+])CC2)c1 ZINC000093068441 135079141 /nfs/dbraw/zinc/07/91/41/135079141.db2.gz CTBUUNSOYBLPKT-GJZGRUSLSA-N 2 0 261.413 2.100 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(Cl)c(C[NH3+])n1 ZINC000094443305 135088760 /nfs/dbraw/zinc/08/87/60/135088760.db2.gz UIKZPBWBADYWDB-NWDGAFQWSA-N 2 0 294.830 2.257 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444542 135088837 /nfs/dbraw/zinc/08/88/37/135088837.db2.gz GWNWPWJXXAGOGT-MRXNPFEDSA-N 2 0 273.424 2.171 10 0 CEAERP C[C@@H]1CCC[C@@H](CN2CCO[C@@H](C[NH+](C)C)C2)C1 ZINC000245636694 394503359 /nfs/dbraw/zinc/50/33/59/394503359.db2.gz XDXPYPGKKUCXHD-KFWWJZLASA-N 2 0 254.418 2.075 10 0 CEAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000324960266 394550990 /nfs/dbraw/zinc/55/09/90/394550990.db2.gz JXKMYLQAHMKDCR-GJZGRUSLSA-N 2 0 254.418 2.002 10 0 CEAERP CO[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380979626 395170637 /nfs/dbraw/zinc/17/06/37/395170637.db2.gz FWTXHEKDQIXQQP-ZJIFWQFVSA-N 2 0 260.381 2.043 10 0 CEAERP CO[C@H](C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380979614 395171573 /nfs/dbraw/zinc/17/15/73/395171573.db2.gz FWTXHEKDQIXQQP-CAOSSQGBSA-N 2 0 260.381 2.043 10 0 CEAERP C[C@H](CC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000384401573 395193931 /nfs/dbraw/zinc/19/39/31/395193931.db2.gz CQQPNEXZCJDUBQ-KGLIPLIRSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000165344814 162344362 /nfs/dbraw/zinc/34/43/62/162344362.db2.gz SVQJTKQBTGIWME-ZBFHGGJFSA-N 2 0 297.487 2.105 10 0 CEAERP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178976947 165268503 /nfs/dbraw/zinc/26/85/03/165268503.db2.gz UPWUWRHFEGNYCQ-RNODOKPDSA-N 2 0 294.464 2.416 10 0 CEAERP CC(C)[C@@H](CNC1CC[NH+](C(C)C)CC1)[NH+](C)C ZINC000020145509 171030954 /nfs/dbraw/zinc/03/09/54/171030954.db2.gz ZVGYKIPCIZLKDL-OAHLLOKOSA-N 2 0 255.450 2.035 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CC[NH+](CC)CC1 ZINC000020260060 171116172 /nfs/dbraw/zinc/11/61/72/171116172.db2.gz YIWUMKODFNNSNO-JKSUJKDBSA-N 2 0 261.413 2.103 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000020315940 171145999 /nfs/dbraw/zinc/14/59/99/171145999.db2.gz FGGZBUVXJKNPOC-KBPBESRZSA-N 2 0 285.476 2.390 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000020315979 171146460 /nfs/dbraw/zinc/14/64/60/171146460.db2.gz SXUJFCDQJPAQIL-GJZGRUSLSA-N 2 0 285.476 2.247 10 0 CEAERP CC[NH+](CC)CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022153075 171360255 /nfs/dbraw/zinc/36/02/55/171360255.db2.gz JNYNTHSNDAVPGX-UHFFFAOYSA-N 2 0 263.385 2.206 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022162620 171364480 /nfs/dbraw/zinc/36/44/80/171364480.db2.gz FWILDUDCYXJPBV-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000022176611 171371038 /nfs/dbraw/zinc/37/10/38/171371038.db2.gz PNEWHEVDAYCNMH-INIZCTEOSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022221317 171378094 /nfs/dbraw/zinc/37/80/94/171378094.db2.gz IGTOSVCDNFRIRF-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP CC(C)[NH+]1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000036170740 172490100 /nfs/dbraw/zinc/49/01/00/172490100.db2.gz JUVOSNYAJKLOIV-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000038041262 174042329 /nfs/dbraw/zinc/04/23/29/174042329.db2.gz KPRMOJJSWGHKIU-QWRGUYRKSA-N 2 0 250.308 2.449 10 0 CEAERP CCN1CCC([NH2+][C@H](C)C2CC[NH+](CC)CC2)CC1 ZINC000038098056 174112915 /nfs/dbraw/zinc/11/29/15/174112915.db2.gz UZFIBLABQQBBHY-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@](C[NH3+])(C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693725 174377760 /nfs/dbraw/zinc/37/77/60/174377760.db2.gz NFNRIDQSMAHPRH-INIZCTEOSA-N 2 0 265.445 2.064 10 0 CEAERP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400985196 414748685 /nfs/dbraw/zinc/74/86/85/414748685.db2.gz YHODIXOLWQPBAZ-AYDFFVQHSA-N 2 0 272.392 2.488 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)C[C@H]12 ZINC000312675132 414864732 /nfs/dbraw/zinc/86/47/32/414864732.db2.gz JRDDHWROQHMFOG-LUYZLQTOSA-N 2 0 272.392 2.222 10 0 CEAERP COCC[N@H+](CC1CCC([NH3+])CC1)[C@H](C)C1CC1 ZINC000042689457 174837380 /nfs/dbraw/zinc/83/73/80/174837380.db2.gz CCGJENIJQJXECK-DNOWBOINSA-N 2 0 254.418 2.251 10 0 CEAERP c1ccc([C@@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000043324489 175007028 /nfs/dbraw/zinc/00/70/28/175007028.db2.gz ZPEDGGOLPPUVNF-IAGOWNOFSA-N 2 0 273.424 2.165 10 0 CEAERP [NH3+]C[C@@H](c1ccncc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000043353920 175020674 /nfs/dbraw/zinc/02/06/74/175020674.db2.gz SKGGSUUFUUKEPU-KRWDZBQOSA-N 2 0 288.439 2.032 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N(CC[NH+](C)C)CC(C)C)C(F)(F)F ZINC000043379261 175030842 /nfs/dbraw/zinc/03/08/42/175030842.db2.gz NRPICWKTJXFOQX-NWDGAFQWSA-N 2 0 283.382 2.174 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)c1 ZINC000043394179 175034979 /nfs/dbraw/zinc/03/49/79/175034979.db2.gz JILOHXISOJVHOM-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815308 175112654 /nfs/dbraw/zinc/11/26/54/175112654.db2.gz DATJXMPSLQQYBN-BPUTZDHNSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043897234 175120117 /nfs/dbraw/zinc/12/01/17/175120117.db2.gz JAECRKFHWYAHQI-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907713 175123379 /nfs/dbraw/zinc/12/33/79/175123379.db2.gz QZXCQIZIFMGALP-JKSUJKDBSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965465 175127020 /nfs/dbraw/zinc/12/70/20/175127020.db2.gz GZMQWUMCLDWLJS-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967990 175128933 /nfs/dbraw/zinc/12/89/33/175128933.db2.gz DCNLKUOUPAXDLM-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967921 175129130 /nfs/dbraw/zinc/12/91/30/175129130.db2.gz CSULSQHHWBWVLF-OIISXLGYSA-N 2 0 279.472 2.181 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970620 175132248 /nfs/dbraw/zinc/13/22/48/175132248.db2.gz JEDRHMWTXZKDNZ-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH+]1CCN([C@H](c2ccco2)[C@@H]([NH3+])CC)CC1 ZINC000044419025 175173301 /nfs/dbraw/zinc/17/33/01/175173301.db2.gz RUNSXCCPAQNDIM-ZFWWWQNUSA-N 2 0 265.401 2.086 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)CC(C)(C)C)CC1 ZINC000045070472 175301504 /nfs/dbraw/zinc/30/15/04/175301504.db2.gz WBPBDPDKRXQHFV-UHFFFAOYSA-N 2 0 255.450 2.166 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371648 175364293 /nfs/dbraw/zinc/36/42/93/175364293.db2.gz XTRMEVGKPRYRAL-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC[C@@H]1CC)C(N)=O ZINC000045384330 175371439 /nfs/dbraw/zinc/37/14/39/175371439.db2.gz PZTUUXDREUTGJY-GOEBONIOSA-N 2 0 283.460 2.275 10 0 CEAERP CC[NH2+][C@@H]1CCCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038095 176026664 /nfs/dbraw/zinc/02/66/64/176026664.db2.gz DZOAUUQCUIVUKD-HUUCEWRRSA-N 2 0 283.460 2.097 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2OCCc3ccccc32)C1 ZINC000071092243 176031986 /nfs/dbraw/zinc/03/19/86/176031986.db2.gz PFTCAPOVQWPUOX-PBHICJAKSA-N 2 0 274.408 2.361 10 0 CEAERP CC[C@H]1CCC[C@@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC000071147416 176043469 /nfs/dbraw/zinc/04/34/69/176043469.db2.gz BPUDZCIAFFMMSU-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC000071147411 176043558 /nfs/dbraw/zinc/04/35/58/176043558.db2.gz BPUDZCIAFFMMSU-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187858 176062213 /nfs/dbraw/zinc/06/22/13/176062213.db2.gz LAOXRNIQUHAMMB-COXVUDFISA-N 2 0 293.430 2.488 10 0 CEAERP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188220 176063020 /nfs/dbraw/zinc/06/30/20/176063020.db2.gz QQFJLNSMDZZAGG-WCXIOVBPSA-N 2 0 281.488 2.414 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N1CC[C@H]([NH2+]C(C)C)C1 ZINC000071200579 176077732 /nfs/dbraw/zinc/07/77/32/176077732.db2.gz PYZNVUGDBMVCRG-GJZGRUSLSA-N 2 0 255.450 2.035 10 0 CEAERP Cc1ncsc1C[NH2+]CCCC1CC[NH2+]CC1 ZINC000071213765 176085181 /nfs/dbraw/zinc/08/51/81/176085181.db2.gz CJRHTOKBBWAFAT-UHFFFAOYSA-N 2 0 253.415 2.321 10 0 CEAERP CC[C@@]1(C[NH2+]Cc2scnc2C)CCC[NH2+]C1 ZINC000071213773 176085436 /nfs/dbraw/zinc/08/54/36/176085436.db2.gz AQQKXMXTLRSWLN-CYBMUJFWSA-N 2 0 253.415 2.321 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2Cc3ccc(F)cc3C2=[NH2+])C1 ZINC000071268832 176102054 /nfs/dbraw/zinc/10/20/54/176102054.db2.gz XIUPHXHITQFICK-NSHDSACASA-N 2 0 261.344 2.308 10 0 CEAERP C[NH+]1CCC(CN2Cc3ccc(F)cc3C2=[NH2+])CC1 ZINC000071269039 176102892 /nfs/dbraw/zinc/10/28/92/176102892.db2.gz HNQAKGDAGNDMCL-UHFFFAOYSA-N 2 0 261.344 2.308 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000071290049 176110335 /nfs/dbraw/zinc/11/03/35/176110335.db2.gz MKLPOWOYPUKEJD-UHFFFAOYSA-N 3 0 269.477 2.430 10 0 CEAERP CCOC(=O)CCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000071293466 176111787 /nfs/dbraw/zinc/11/17/87/176111787.db2.gz OULFUQWJPCLWJZ-UHFFFAOYSA-N 2 0 284.444 2.384 10 0 CEAERP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000071314814 176120982 /nfs/dbraw/zinc/12/09/82/176120982.db2.gz FYXGRBLLEUGRFW-QZTJIDSGSA-N 2 0 287.451 2.335 10 0 CEAERP COc1cc2c(cc1OC)[C@@H](C1CC[NH+](C)CC1)[NH2+]CC2 ZINC000071494035 176191217 /nfs/dbraw/zinc/19/12/17/176191217.db2.gz IBMNPUDBKORRAN-QGZVFWFLSA-N 2 0 290.407 2.232 10 0 CEAERP COCC1CC[NH+](C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000078439166 177341582 /nfs/dbraw/zinc/34/15/82/177341582.db2.gz ZFXUGCRUCIXRDQ-ZDUSSCGKSA-N 2 0 256.434 2.369 10 0 CEAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079292548 177465412 /nfs/dbraw/zinc/46/54/12/177465412.db2.gz OZNWKOSJNSCXGB-HUUCEWRRSA-N 2 0 297.487 2.378 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000079626050 177528925 /nfs/dbraw/zinc/52/89/25/177528925.db2.gz LYUZYEAEAUCYKW-OAGGEKHMSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519240 260104415 /nfs/dbraw/zinc/10/44/15/260104415.db2.gz XMGASPKTPBLSAF-HZSPNIEDSA-N 2 0 299.459 2.362 10 0 CEAERP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398363348 270357894 /nfs/dbraw/zinc/35/78/94/270357894.db2.gz YPIJGXRCHXTUSJ-LLVKDONJSA-N 2 0 274.286 2.284 10 0 CEAERP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000250966934 274498225 /nfs/dbraw/zinc/49/82/25/274498225.db2.gz CLEXVVSCXPSZKM-OSAQELSMSA-N 2 0 250.361 2.474 10 0 CEAERP C[C@H]([NH2+]CCSc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400428567 278259728 /nfs/dbraw/zinc/25/97/28/278259728.db2.gz ZKEDVGWASCYYTK-STQMWFEESA-N 2 0 250.411 2.366 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000246085286 280272776 /nfs/dbraw/zinc/27/27/76/280272776.db2.gz IHSGDPILJSBIKE-YHUYYLMFSA-N 2 0 297.487 2.340 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000263316751 304837282 /nfs/dbraw/zinc/83/72/82/304837282.db2.gz ZOXFZWWNZQIPLG-UIBBOPPKSA-N 2 0 294.826 2.146 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000053660709 519743459 /nfs/dbraw/zinc/74/34/59/519743459.db2.gz KDZPLGVNNNCBSP-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C)CC1 ZINC000054628032 519907418 /nfs/dbraw/zinc/90/74/18/519907418.db2.gz URJGDZXCBISLCI-VHRNVKJDSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCOCC1 ZINC000054628238 519907708 /nfs/dbraw/zinc/90/77/08/519907708.db2.gz ZVZJIMZBUCHXKT-LQDVMPOASA-N 2 0 252.402 2.160 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377139 519927115 /nfs/dbraw/zinc/92/71/15/519927115.db2.gz FIRVDXHKQFCDDG-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1cnc(N(CCC)CC[NH+](C)C)s1 ZINC000054908133 519961156 /nfs/dbraw/zinc/96/11/56/519961156.db2.gz DLAFUXHNXHSNLF-UHFFFAOYSA-N 2 0 284.473 2.421 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)CC)on1 ZINC000052547321 519987215 /nfs/dbraw/zinc/98/72/15/519987215.db2.gz YXJJFMVUJMURRA-GFCCVEGCSA-N 2 0 269.389 2.031 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516547 520105202 /nfs/dbraw/zinc/10/52/02/520105202.db2.gz UYEGAQYBDZRARZ-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c([C@@H](C)C[NH3+])c(C)n1 ZINC000054837043 520710784 /nfs/dbraw/zinc/71/07/84/520710784.db2.gz LMBJVVAZQRBDGG-NSHDSACASA-N 2 0 264.417 2.040 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643424 522376955 /nfs/dbraw/zinc/37/69/55/522376955.db2.gz RGUMEGHYCAHOFJ-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CC[NH+](C(C)C)CC2)nc1C ZINC000054903651 522456151 /nfs/dbraw/zinc/45/61/51/522456151.db2.gz HOPJNEGQHJBLAS-LLVKDONJSA-N 2 0 282.457 2.262 10 0 CEAERP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400724560 533902202 /nfs/dbraw/zinc/90/22/02/533902202.db2.gz PCZDTKFJDCDELI-SOUVJXGZSA-N 2 0 277.412 2.004 10 0 CEAERP CC(C)(C)CC[N@@H+]1CCCN(CCCC[NH3+])CC1 ZINC000049254397 518645951 /nfs/dbraw/zinc/64/59/51/518645951.db2.gz UIKSZEJRHOIODP-UHFFFAOYSA-N 2 0 255.450 2.169 10 0 CEAERP CC(C)(C)[NH+]1CCN(Cc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052571625 518713801 /nfs/dbraw/zinc/71/38/01/518713801.db2.gz DGPSXPPVUKKCFA-UHFFFAOYSA-N 2 0 291.439 2.448 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000050910643 519669657 /nfs/dbraw/zinc/66/96/57/519669657.db2.gz JGTYPQRDWGIMEC-UHFFFAOYSA-N 2 0 273.424 2.204 10 0 CEAERP CC(C)C[N@H+](CCCC[NH2+]C1CC1)CCN(C)C ZINC000052503256 519715401 /nfs/dbraw/zinc/71/54/01/519715401.db2.gz JBOJFVZFYOPSNY-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055075839 519725317 /nfs/dbraw/zinc/72/53/17/519725317.db2.gz QNWUYTACIVGOEU-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]C2CCC(C)CC2)CC1 ZINC000055076083 519726124 /nfs/dbraw/zinc/72/61/24/519726124.db2.gz VJTHIZSTTGTEMM-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055075863 519727584 /nfs/dbraw/zinc/72/75/84/519727584.db2.gz YWSBQHYWMBXQJS-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+][C@@](C)(C[C@H](C)N1Cc2ccccc2C1)C(N)=O ZINC000068642042 519736827 /nfs/dbraw/zinc/73/68/27/519736827.db2.gz ZXDLVYPYZBDFBZ-GUYCJALGSA-N 2 0 289.423 2.023 10 0 CEAERP CC(C)C[NH2+]CCCC[NH+]1CCN(C(C)C)CC1 ZINC000052479970 519743370 /nfs/dbraw/zinc/74/33/70/519743370.db2.gz WAEGSLBLNRBMQY-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417090 519744343 /nfs/dbraw/zinc/74/43/43/519744343.db2.gz FOYQQPULKOAPLX-QGZVFWFLSA-N 2 0 289.467 2.438 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479534 519745183 /nfs/dbraw/zinc/74/51/83/519745183.db2.gz PPRFEBRMZUDHPK-DLBZAZTESA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478900 519746357 /nfs/dbraw/zinc/74/63/57/519746357.db2.gz RRELIIMOPYCMGK-SJORKVTESA-N 2 0 291.439 2.307 10 0 CEAERP CC(C)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000050950221 519794351 /nfs/dbraw/zinc/79/43/51/519794351.db2.gz WIWCTIUHWCSJRE-MRXNPFEDSA-N 2 0 295.471 2.003 10 0 CEAERP CCC[NH+]1CCC(N[C@H](C[NH+](C)C)C(C)C)CC1 ZINC000049195269 519847525 /nfs/dbraw/zinc/84/75/25/519847525.db2.gz WTEPHXYEJKKDJW-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000051996136 519847621 /nfs/dbraw/zinc/84/76/21/519847621.db2.gz ZEPCAAIVFCAPBB-IMJJTQAJSA-N 2 0 268.445 2.390 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c([C@@H](C)[NH2+]C)s2)CC1 ZINC000054899142 519860636 /nfs/dbraw/zinc/86/06/36/519860636.db2.gz XXZXCBOXUDVCHK-LLVKDONJSA-N 2 0 282.457 2.264 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@@H](OCC)C2)CCOCC1 ZINC000052198129 519910050 /nfs/dbraw/zinc/91/00/50/519910050.db2.gz HZVRLXDVFFWSCI-MRXNPFEDSA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074530 519912176 /nfs/dbraw/zinc/91/21/76/519912176.db2.gz USBHYKUNSISRSQ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CC1(CN2CC[NH+](CC)CC2)CCCCC1 ZINC000051207690 519913993 /nfs/dbraw/zinc/91/39/93/519913993.db2.gz XRFDPAITDLJJGG-UHFFFAOYSA-N 2 0 267.461 2.184 10 0 CEAERP CC[NH2+]CCCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702354 519920328 /nfs/dbraw/zinc/92/03/28/519920328.db2.gz MFEWZNSYUYUDAL-MRXNPFEDSA-N 2 0 262.397 2.277 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571554 519930323 /nfs/dbraw/zinc/93/03/23/519930323.db2.gz YIRQJYCCBQXSNJ-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]C[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000061231763 519941766 /nfs/dbraw/zinc/94/17/66/519941766.db2.gz XZAVEPYWUZGNMG-CQSZACIVSA-N 2 0 289.423 2.467 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000052371381 519946957 /nfs/dbraw/zinc/94/69/57/519946957.db2.gz LXHIHQBFKSNOPY-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCC(C)(C)C2)O1 ZINC000070260637 519956613 /nfs/dbraw/zinc/95/66/13/519956613.db2.gz WXBVCLUNUXFRED-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571552 519957788 /nfs/dbraw/zinc/95/77/88/519957788.db2.gz KCMMMDDBGPGTTD-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1ccoc1COCCC[NH+](C)C ZINC000052672335 519960426 /nfs/dbraw/zinc/96/04/26/519960426.db2.gz RYDBBCYGUDTXAM-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](C)C2CCN(C)CC2)cc1 ZINC000052419900 519994534 /nfs/dbraw/zinc/99/45/34/519994534.db2.gz NBAPGOUYOLPKMT-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000052380882 520008120 /nfs/dbraw/zinc/00/81/20/520008120.db2.gz NVBNBQSTLVNZNE-ZIAGYGMSSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1ccoc1CN(CC[NH+](C)C)CC(C)C ZINC000052503310 520010066 /nfs/dbraw/zinc/01/00/66/520010066.db2.gz KOQQIOKRBYGNFV-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CC[NH2+]Cc1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054908848 520015623 /nfs/dbraw/zinc/01/56/23/520015623.db2.gz AJVZOUBTSHVFDY-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CC[NH2+]Cc1nc(CN2CC[NH+](CC(C)C)CC2)cs1 ZINC000055083060 520020241 /nfs/dbraw/zinc/02/02/41/520020241.db2.gz ZQGGMOZUJLPZHN-UHFFFAOYSA-N 2 0 296.484 2.026 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C1CC1 ZINC000069146550 520033243 /nfs/dbraw/zinc/03/32/43/520033243.db2.gz GELACOCYEJBKGI-UHFFFAOYSA-N 2 0 294.468 2.272 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000061268942 520063135 /nfs/dbraw/zinc/06/31/35/520063135.db2.gz YCAPGLVLSVNXOL-HNNXBMFYSA-N 2 0 291.439 2.013 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079132 520182753 /nfs/dbraw/zinc/18/27/53/520182753.db2.gz IUARQHIMRJALOA-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979201 520213321 /nfs/dbraw/zinc/21/33/21/520213321.db2.gz MYGRIJWGMPUFKS-HRCADAONSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065653 520214631 /nfs/dbraw/zinc/21/46/31/520214631.db2.gz XOTSMKBLSRCJND-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081863 520216401 /nfs/dbraw/zinc/21/64/01/520216401.db2.gz GNTBBKYIAGSTPL-HOTGVXAUSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804656 520221213 /nfs/dbraw/zinc/22/12/13/520221213.db2.gz YGONLMASCCVWHI-HNNXBMFYSA-N 2 0 276.380 2.204 10 0 CEAERP CCCCC[C@@H](C[NH3+])N1CC[NH+]([C@H](C)CC)CC1 ZINC000055064795 520292589 /nfs/dbraw/zinc/29/25/89/520292589.db2.gz USVWQZGPLUFCAK-CABCVRRESA-N 2 0 255.450 2.310 10 0 CEAERP CCNc1ncccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052725799 520378044 /nfs/dbraw/zinc/37/80/44/520378044.db2.gz RGMBQYQTTXFPEY-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c(CCC[NH2+]C)c(C)n1 ZINC000054837363 520712333 /nfs/dbraw/zinc/71/23/33/520712333.db2.gz UBRWGSNDKXLMIT-UHFFFAOYSA-N 2 0 278.444 2.130 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC(C)C)C[N@@H+]1CC[C@H](O)C1 ZINC000061711747 520911830 /nfs/dbraw/zinc/91/18/30/520911830.db2.gz FJOOVCMPDJPLNJ-GJZGRUSLSA-N 2 0 256.434 2.105 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181258 520937281 /nfs/dbraw/zinc/93/72/81/520937281.db2.gz IUTWFVICVITVGK-UHFFFAOYSA-N 2 0 252.402 2.020 10 0 CEAERP CCCc1nc(N(C)C2CC[NH+](CC)CC2)sc1C[NH3+] ZINC000055000543 521529811 /nfs/dbraw/zinc/52/98/11/521529811.db2.gz DPBHKSXAKZUGSA-UHFFFAOYSA-N 2 0 296.484 2.475 10 0 CEAERP CCN1CCC([N@H+](C)Cc2cccc(C[NH2+]C)c2)CC1 ZINC000052543982 521564764 /nfs/dbraw/zinc/56/47/64/521564764.db2.gz KELQJVUGRMDZTF-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[N@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000051021682 521652335 /nfs/dbraw/zinc/65/23/35/521652335.db2.gz LVWIWLLGFONDCC-YIONKMFJSA-N 2 0 254.418 2.144 10 0 CEAERP CCC[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCN(C)C ZINC000050954134 521654277 /nfs/dbraw/zinc/65/42/77/521654277.db2.gz QACICJVXMBUXAQ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP C[NH2+]CCC[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000052417245 521996726 /nfs/dbraw/zinc/99/67/26/521996726.db2.gz FATLSQNFRRBMCZ-CYBMUJFWSA-N 2 0 292.423 2.450 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418219 521999860 /nfs/dbraw/zinc/99/98/60/521999860.db2.gz FCXIVZZOUSFXQX-AWEZNQCLSA-N 2 0 279.403 2.336 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485027 522096599 /nfs/dbraw/zinc/09/65/99/522096599.db2.gz XWFFBXDSHJUMJM-HUUCEWRRSA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)c(C)o1 ZINC000052503404 522106999 /nfs/dbraw/zinc/10/69/99/522106999.db2.gz UGAIXIKSWXNVMF-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055078007 522111565 /nfs/dbraw/zinc/11/15/65/522111565.db2.gz YBFXXIDASDKRAG-GDBMZVCRSA-N 2 0 289.423 2.019 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000055072415 522120551 /nfs/dbraw/zinc/12/05/51/522120551.db2.gz IFLQDAKJZHDISP-NVXWUHKLSA-N 2 0 275.440 2.493 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000052543510 522121961 /nfs/dbraw/zinc/12/19/61/522121961.db2.gz JNMWLMWYVKQCGY-AWEZNQCLSA-N 2 0 292.423 2.284 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055072431 522122017 /nfs/dbraw/zinc/12/20/17/522122017.db2.gz YWOVBCBHZKTBKE-ZIAGYGMSSA-N 2 0 255.450 2.166 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2CCCSCC2)cc1 ZINC000052371080 522122822 /nfs/dbraw/zinc/12/28/22/522122822.db2.gz PIGNDXUJDSPZDF-UHFFFAOYSA-N 2 0 280.437 2.224 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072024 522123261 /nfs/dbraw/zinc/12/32/61/522123261.db2.gz KAHGDJSKHJDPFT-SJLPKXTDSA-N 2 0 289.467 2.319 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083470 522123816 /nfs/dbraw/zinc/12/38/16/522123816.db2.gz TXOHDUHOHARMAB-TWMKSMIVSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055067283 522128792 /nfs/dbraw/zinc/12/87/92/522128792.db2.gz HZIQAZLCTBPWNC-ZBFHGGJFSA-N 2 0 288.439 2.470 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064083 522129479 /nfs/dbraw/zinc/12/94/79/522129479.db2.gz LBBVFGQRRLFVOF-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+]Cc1sc(N2CC[N@H+](C)C(C)(C)C2)nc1C1CC1 ZINC000069182985 522167014 /nfs/dbraw/zinc/16/70/14/522167014.db2.gz RHDJSQQFRYFOHL-UHFFFAOYSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419791 522195178 /nfs/dbraw/zinc/19/51/78/522195178.db2.gz PTNYCMURMPTRGB-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1oc2ccccc2c1C[NH3+] ZINC000052511737 522220168 /nfs/dbraw/zinc/22/01/68/522220168.db2.gz CYLYETXIFZUJIK-LLVKDONJSA-N 2 0 262.353 2.358 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1F)N1CC[C@H]([NH+](C)C)C1 ZINC000062964159 522338596 /nfs/dbraw/zinc/33/85/96/522338596.db2.gz JDRHNUFZUBGTOT-VBNZEHGJSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977603 522339978 /nfs/dbraw/zinc/33/99/78/522339978.db2.gz QCNYZLVRULDBQQ-YESZJQIVSA-N 2 0 288.439 2.030 10 0 CEAERP CCc1nc(N(CC[NH+](C)C)CC(C)C)sc1C[NH3+] ZINC000054998597 522382544 /nfs/dbraw/zinc/38/25/44/522382544.db2.gz UPDRZCFCXWUFPG-UHFFFAOYSA-N 2 0 284.473 2.188 10 0 CEAERP CN(C1CC[NH+](C)CC1)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000052684809 522414469 /nfs/dbraw/zinc/41/44/69/522414469.db2.gz KIYLZVNILKGMOU-ROUUACIJSA-N 2 0 287.451 2.417 10 0 CEAERP C[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)c1ccccc1C ZINC000062970061 522461739 /nfs/dbraw/zinc/46/17/39/522461739.db2.gz TXAISDQMLPLAIA-DOTOQJQBSA-N 2 0 275.440 2.282 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052511537 522592621 /nfs/dbraw/zinc/59/26/21/522592621.db2.gz ZVDMQOFZPHYCMP-NSHDSACASA-N 2 0 262.353 2.358 10 0 CEAERP CN(c1cccc(Cl)c1C(N)=[NH2+])C1CC[NH+](C)CC1 ZINC000052904727 523647188 /nfs/dbraw/zinc/64/71/88/523647188.db2.gz MNGBWFALFODYAD-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000052205682 523798867 /nfs/dbraw/zinc/79/88/67/523798867.db2.gz DDPUJIVFCIEVQG-HOTGVXAUSA-N 2 0 274.408 2.454 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083444 523953364 /nfs/dbraw/zinc/95/33/64/523953364.db2.gz XOYRHOMWNZZQSV-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000055064011 523958486 /nfs/dbraw/zinc/95/84/86/523958486.db2.gz AQFOOQQNLVBSOC-BBRMVZONSA-N 2 0 279.403 2.242 10 0 CEAERP C[NH+](C)C1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794040 524040889 /nfs/dbraw/zinc/04/08/89/524040889.db2.gz JJTYFYYABVFFSI-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[C@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180447 524121616 /nfs/dbraw/zinc/12/16/16/524121616.db2.gz BUFUFIPZELCGGK-ZDUSSCGKSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@H]1CCC[C@H]([N@H+](C)Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658202 524202818 /nfs/dbraw/zinc/20/28/18/524202818.db2.gz VNLXPQYMPGFEJD-AAEUAGOBSA-N 2 0 260.385 2.376 10 0 CEAERP Cc1ccc(C[N@@H+](C)CC2(C[NH3+])CCOCC2)cc1 ZINC000052181112 524391592 /nfs/dbraw/zinc/39/15/92/524391592.db2.gz WQOWHFHFTIRCPC-UHFFFAOYSA-N 2 0 262.397 2.182 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000049557279 524474754 /nfs/dbraw/zinc/47/47/54/524474754.db2.gz CLYICSXQXYCSBM-SMDDNHRTSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CCC([NH+](C)C)CC1 ZINC000052477592 524734621 /nfs/dbraw/zinc/73/46/21/524734621.db2.gz DKAUQYLGDJDMAG-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642152 525006772 /nfs/dbraw/zinc/00/67/72/525006772.db2.gz OUJLIJDMTOHXMA-BNOWGMLFSA-N 2 0 267.442 2.162 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@@H]2N1CC[NH+](C2CCCC2)CC1 ZINC000069267047 526506303 /nfs/dbraw/zinc/50/63/03/526506303.db2.gz ZHYCSYXNSABZOJ-SFHVURJKSA-N 2 0 285.435 2.391 10 0 CEAERP NC(=[NH2+])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000062980676 526822320 /nfs/dbraw/zinc/82/23/20/526822320.db2.gz CFASKKGYTCKXDX-INIZCTEOSA-N 2 0 286.423 2.031 10 0 CEAERP [NH3+]CCCC[N@@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872127 527176131 /nfs/dbraw/zinc/17/61/31/527176131.db2.gz NDZAMQBMSWEOCQ-UHFFFAOYSA-N 2 0 297.393 2.211 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccn1 ZINC000068749633 527247477 /nfs/dbraw/zinc/24/74/77/527247477.db2.gz NQOBRBJCADZQNA-MRXNPFEDSA-N 2 0 268.364 2.272 10 0 CEAERP NNc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718535 527274175 /nfs/dbraw/zinc/27/41/75/527274175.db2.gz PCJBLDJXNQUSPP-UONOGXRCSA-N 2 0 260.385 2.379 10 0 CEAERP NNc1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)cc[nH+]1 ZINC000052718692 527274620 /nfs/dbraw/zinc/27/46/20/527274620.db2.gz OQEXLVQJJIFYJD-OAHLLOKOSA-N 2 0 268.364 2.357 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H]1[C@@H](C[NH3+])CCCC[N@@H+]1C1CC1 ZINC000070291669 527659581 /nfs/dbraw/zinc/65/95/81/527659581.db2.gz SKDSWAMZJHUDFI-CJNGLKHVSA-N 2 0 276.428 2.301 10 0 CEAERP Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000311831378 627702787 /nfs/dbraw/zinc/70/27/87/627702787.db2.gz PDHODLBDSJMHMH-KKUMJFAQSA-N 2 0 260.381 2.043 10 0 CEAERP [NH3+]CCCCCCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000227379326 639588593 /nfs/dbraw/zinc/58/85/93/639588593.db2.gz JADCDKNBVZFJFI-OAHLLOKOSA-N 2 0 253.434 2.066 10 0 CEAERP Brc1csc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000070600552 641686142 /nfs/dbraw/zinc/68/61/42/641686142.db2.gz LDMCJBMGGJASSI-MRVPVSSYSA-N 2 0 275.215 2.210 10 0 CEAERP C[NH2+][C@](C)(CO)CCC[N@H+](CCC(C)C)C1CC1 ZINC000096836992 185116332 /nfs/dbraw/zinc/11/63/32/185116332.db2.gz SMFQIJLOZUUJQL-HNNXBMFYSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+][C@@H](CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096836947 185116738 /nfs/dbraw/zinc/11/67/38/185116738.db2.gz KFWCKAAVNHAXRD-CQSZACIVSA-N 2 0 256.434 2.248 10 0 CEAERP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000096947338 185136675 /nfs/dbraw/zinc/13/66/75/185136675.db2.gz PMVFAIGKUCMDTQ-DLBZAZTESA-N 2 0 267.376 2.398 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC)CC1 ZINC000037825981 361951331 /nfs/dbraw/zinc/95/13/31/361951331.db2.gz FDWPXMMNIWSAIX-OAHLLOKOSA-N 2 0 283.460 2.084 10 0 CEAERP CCCN1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265966 539213464 /nfs/dbraw/zinc/21/34/64/539213464.db2.gz FVOBZVWNMPZDBE-GFCCVEGCSA-N 2 0 253.434 2.109 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136193303 344383933 /nfs/dbraw/zinc/38/39/33/344383933.db2.gz LHMLWLNGXSKWOS-GOEBONIOSA-N 2 0 283.460 2.145 10 0 CEAERP CC(C)([NH3+])CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000084166617 178811954 /nfs/dbraw/zinc/81/19/54/178811954.db2.gz MNJNLQVKZJTUCV-UHFFFAOYSA-N 2 0 275.396 2.348 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](C2C[C@H](C)C[C@H](C)C2)CC1 ZINC000084948221 178933586 /nfs/dbraw/zinc/93/35/86/178933586.db2.gz FUNCXLWJLYZFGV-IUOOZAAYSA-N 2 0 267.461 2.166 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)n1cnc2c1CC[NH2+]C2 ZINC000085567024 179095487 /nfs/dbraw/zinc/09/54/87/179095487.db2.gz PMLYJFHYDVNJHU-CYBMUJFWSA-N 2 0 264.417 2.212 10 0 CEAERP C[N@@H+]1CC[C@@H](n2c3c(nc2C2CCCCC2)C[NH2+]CC3)C1 ZINC000085607105 179100826 /nfs/dbraw/zinc/10/08/26/179100826.db2.gz HSCFADMQSGZVDA-CQSZACIVSA-N 2 0 288.439 2.453 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052511519 522595568 /nfs/dbraw/zinc/59/55/68/522595568.db2.gz IYXJILUWEAQOHV-ZDUSSCGKSA-N 2 0 268.401 2.492 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086145806 179238541 /nfs/dbraw/zinc/23/85/41/179238541.db2.gz WNEADCUYTFEVGM-ZWKOTPCHSA-N 2 0 287.451 2.291 10 0 CEAERP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086144855 179237460 /nfs/dbraw/zinc/23/74/60/179237460.db2.gz BZAWAJMXVKCCFG-RCCFBDPRSA-N 2 0 291.483 2.467 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086173853 179244034 /nfs/dbraw/zinc/24/40/34/179244034.db2.gz JKPYZRJOSJDJCD-IKGGRYGDSA-N 2 0 279.472 2.178 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086173727 179244381 /nfs/dbraw/zinc/24/43/81/179244381.db2.gz AFLHUGRBBIJFPQ-IKGGRYGDSA-N 2 0 281.488 2.283 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177611 179246179 /nfs/dbraw/zinc/24/61/79/179246179.db2.gz BTKJIWRUZLLTEP-FUHWJXTLSA-N 2 0 287.451 2.363 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146560 179238853 /nfs/dbraw/zinc/23/88/53/179238853.db2.gz DEZNZKALGMGCNO-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146522 179239081 /nfs/dbraw/zinc/23/90/81/179239081.db2.gz YLYXUBSZBDWAIV-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)C[C@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146755 179239596 /nfs/dbraw/zinc/23/95/96/179239596.db2.gz KFERGGAORIGHHW-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223183 179252240 /nfs/dbraw/zinc/25/22/40/179252240.db2.gz VZGGZBNVCIBAJF-OAGGEKHMSA-N 2 0 281.488 2.283 10 0 CEAERP C[C@@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223984 179253832 /nfs/dbraw/zinc/25/38/32/179253832.db2.gz MGPTTXKCUUSMIR-KBAYOESNSA-N 2 0 287.451 2.290 10 0 CEAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259200 179258154 /nfs/dbraw/zinc/25/81/54/179258154.db2.gz MSFHGSRIGSZLDM-LZLYRXPVSA-N 2 0 287.451 2.363 10 0 CEAERP CC[NH+]1CCC(CN2C[C@@H](CC(C)C)[NH2+]C[C@@H]2C)CC1 ZINC000086259168 179258472 /nfs/dbraw/zinc/25/84/72/179258472.db2.gz RPTAOFZHCFYAIO-DOTOQJQBSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259158 179258554 /nfs/dbraw/zinc/25/85/54/179258554.db2.gz FJDUOXKXZZCJMJ-IRXDYDNUSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)[C@@H](CC)CN1 ZINC000086259180 179258800 /nfs/dbraw/zinc/25/88/00/179258800.db2.gz PZKVMVMFVBJFJP-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086260756 179260404 /nfs/dbraw/zinc/26/04/04/179260404.db2.gz KJYSALDPMHIMRG-IKGGRYGDSA-N 2 0 281.488 2.425 10 0 CEAERP C1CCC([C@@H]2CN([C@@H]3C[NH+]4CCC3CC4)CCC[NH2+]2)CC1 ZINC000086285954 179263711 /nfs/dbraw/zinc/26/37/11/179263711.db2.gz ZDJFUSDJRWUCEJ-ZWKOTPCHSA-N 2 0 291.483 2.325 10 0 CEAERP CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259012 179256847 /nfs/dbraw/zinc/25/68/47/179256847.db2.gz JDZGONGKYRXWRD-JKSUJKDBSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259087 179257111 /nfs/dbraw/zinc/25/71/11/179257111.db2.gz HLVSYFYISIAIIJ-HIFRSBDPSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259089 179257267 /nfs/dbraw/zinc/25/72/67/179257267.db2.gz HLVSYFYISIAIIJ-UKRRQHHQSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291487 179265963 /nfs/dbraw/zinc/26/59/63/179265963.db2.gz NBWXRBNSOIFAGC-RDJZCZTQSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@H]1CN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC[N@@H+]1C ZINC000086444159 179293994 /nfs/dbraw/zinc/29/39/94/179293994.db2.gz DPGHZHBLIQCFEA-QWRGUYRKSA-N 2 0 280.441 2.010 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)CC1 ZINC000086441972 179294038 /nfs/dbraw/zinc/29/40/38/179294038.db2.gz AJMPJEIQNRSSBE-LBPRGKRZSA-N 2 0 294.468 2.272 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000086666678 179317079 /nfs/dbraw/zinc/31/70/79/179317079.db2.gz ANXLBAIKHXZGNE-HNNXBMFYSA-N 2 0 260.381 2.066 10 0 CEAERP C[C@@H]1CCC[C@]1(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000086676374 179319479 /nfs/dbraw/zinc/31/94/79/179319479.db2.gz SGWFSDZSNDMJBG-SJLPKXTDSA-N 2 0 287.451 2.322 10 0 CEAERP CCN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819533 179348202 /nfs/dbraw/zinc/34/82/02/179348202.db2.gz LGPBHQAIILNAIH-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818850 179348907 /nfs/dbraw/zinc/34/89/07/179348907.db2.gz QELOEQMJVUJSAQ-MRXNPFEDSA-N 2 0 284.407 2.446 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835833 179349426 /nfs/dbraw/zinc/34/94/26/179349426.db2.gz LYKXFZVHUAEKKN-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847089 179356026 /nfs/dbraw/zinc/35/60/26/179356026.db2.gz ISFUYYPCWBKVQC-KRWDZBQOSA-N 2 0 290.455 2.105 10 0 CEAERP CCN(CC1CC1)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848833 179356283 /nfs/dbraw/zinc/35/62/83/179356283.db2.gz NIDIOOBCFJOHBQ-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC(CC)N(CCOC)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086848160 179356315 /nfs/dbraw/zinc/35/63/15/179356315.db2.gz CIMMVIQLCWNZDA-QGZVFWFLSA-N 2 0 299.503 2.327 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836118 179349896 /nfs/dbraw/zinc/34/98/96/179349896.db2.gz YORHTTPCISKVFP-OAHLLOKOSA-N 2 0 290.407 2.422 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835473 179350588 /nfs/dbraw/zinc/35/05/88/179350588.db2.gz ZXQJGLDXFUGEEQ-WLYUNCDWSA-N 2 0 254.418 2.142 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840915 179352699 /nfs/dbraw/zinc/35/26/99/179352699.db2.gz SIHSWGOUTJDDID-INIZCTEOSA-N 2 0 261.413 2.477 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840766 179353501 /nfs/dbraw/zinc/35/35/01/179353501.db2.gz JNPDNQCTZNAWFP-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846396 179354577 /nfs/dbraw/zinc/35/45/77/179354577.db2.gz MVOANJMNBZQIFN-KRWDZBQOSA-N 2 0 273.424 2.252 10 0 CEAERP CCOC(=O)C[C@@]1([NH+](C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086868531 179360866 /nfs/dbraw/zinc/36/08/66/179360866.db2.gz YKDOTCLSFJZXCQ-OAHLLOKOSA-N 2 0 270.417 2.134 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851002 179359360 /nfs/dbraw/zinc/35/93/60/179359360.db2.gz FAQZWSZGWZLQAY-IRXDYDNUSA-N 3 0 279.472 2.325 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086891013 179366287 /nfs/dbraw/zinc/36/62/87/179366287.db2.gz SPBQEWKRQNLOHT-GOEBONIOSA-N 2 0 265.445 2.064 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000086891390 179366583 /nfs/dbraw/zinc/36/65/83/179366583.db2.gz BYFAPIZCQPXVRE-IXDOHACOSA-N 2 0 279.472 2.454 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1CCCC(C)(C)CC1 ZINC000086917018 179367855 /nfs/dbraw/zinc/36/78/55/179367855.db2.gz NDEMGJBLMFCSHP-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017532 179380794 /nfs/dbraw/zinc/38/07/94/179380794.db2.gz QRAFBLMWXYGNJD-CABCVRRESA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCC(C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087045135 179388342 /nfs/dbraw/zinc/38/83/42/179388342.db2.gz JTTCUVWSLGWFPA-PWUWZPNHSA-N 2 0 268.445 2.248 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087695554 179471854 /nfs/dbraw/zinc/47/18/54/179471854.db2.gz NPOIEYJLDLHDJB-HUUCEWRRSA-N 2 0 297.487 2.471 10 0 CEAERP CCC[NH2+]C1CCC(O)([C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000089539857 179814063 /nfs/dbraw/zinc/81/40/63/179814063.db2.gz UMZPSVCEAADUQV-LQULJDIASA-N 2 0 254.418 2.048 10 0 CEAERP CC[NH2+]C1CCC(O)([C@H]2C[C@H](CC)CC[NH2+]2)CC1 ZINC000089539658 179814130 /nfs/dbraw/zinc/81/41/30/179814130.db2.gz CEKZYZCJPWPKMA-FEWQNLEASA-N 2 0 254.418 2.048 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000089482608 179801397 /nfs/dbraw/zinc/80/13/97/179801397.db2.gz MUEYBWOAXZYDFR-MSOLQXFVSA-N 2 0 287.451 2.179 10 0 CEAERP C[C@@H]1CCC[C@@H]([C@@H](CN)[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000089609284 179828539 /nfs/dbraw/zinc/82/85/39/179828539.db2.gz VZTKHOMXTIEDOL-DJIMGWMZSA-N 2 0 281.488 2.414 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567046 180006293 /nfs/dbraw/zinc/00/62/93/180006293.db2.gz AINFCZSAOGMXAJ-KGLIPLIRSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000090566972 180006597 /nfs/dbraw/zinc/00/65/97/180006597.db2.gz RLHKTGRDCJXBLK-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694628 180025895 /nfs/dbraw/zinc/02/58/95/180025895.db2.gz VDRNOUIQQZECTE-GOEBONIOSA-N 2 0 295.471 2.001 10 0 CEAERP CCC1(C[NH2+]CCc2cscn2)CC[NH2+]CC1 ZINC000104445037 186005192 /nfs/dbraw/zinc/00/51/92/186005192.db2.gz QMWSZPTYFSTBFY-UHFFFAOYSA-N 2 0 253.415 2.055 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(c2snc3ccccc32)CC1 ZINC000090868847 180049320 /nfs/dbraw/zinc/04/93/20/180049320.db2.gz YQHNTSZPSPNHFQ-UHFFFAOYSA-N 2 0 290.436 2.157 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897438 180057057 /nfs/dbraw/zinc/05/70/57/180057057.db2.gz SGJYMRIFSRFEMH-ZBFHGGJFSA-N 2 0 274.408 2.230 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(CC[NH3+])n2)C1 ZINC000090957969 180074709 /nfs/dbraw/zinc/07/47/09/180074709.db2.gz QQNVIVMHCDRADV-GHMZBOCLSA-N 2 0 253.415 2.122 10 0 CEAERP C[C@H]1CCCCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958711 180074749 /nfs/dbraw/zinc/07/47/49/180074749.db2.gz XHTKXPOFDKZKIH-NSHDSACASA-N 2 0 253.415 2.409 10 0 CEAERP C[NH+](C)CCn1cc(C[NH2+]C2CC2)c2ccccc21 ZINC000090995572 180082951 /nfs/dbraw/zinc/08/29/51/180082951.db2.gz LYZNCDPUVAALSP-UHFFFAOYSA-N 2 0 257.381 2.455 10 0 CEAERP CCN(CC)C(=O)C[C@@H](CN)[NH+]1CCC(CC)(CC)CC1 ZINC000091322908 180134577 /nfs/dbraw/zinc/13/45/77/180134577.db2.gz NDNIEIMLTDMRJE-HNNXBMFYSA-N 2 0 297.487 2.474 10 0 CEAERP C[NH+](C)CCn1ncc(C[NH2+]C(C)(C)C)c1C(F)F ZINC000091338540 180136625 /nfs/dbraw/zinc/13/66/25/180136625.db2.gz AAMYCVNROIKZGJ-UHFFFAOYSA-N 2 0 274.359 2.270 10 0 CEAERP CC(C)n1cncc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000091273044 180117608 /nfs/dbraw/zinc/11/76/08/180117608.db2.gz FCMNDUCCUDFRHU-ZDUSSCGKSA-N 2 0 250.390 2.025 10 0 CEAERP c1ncn(C2CC2)c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000091277044 180119900 /nfs/dbraw/zinc/11/99/00/180119900.db2.gz WIWCDUQAYHXGGF-MRXNPFEDSA-N 2 0 274.412 2.182 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091429095 180152804 /nfs/dbraw/zinc/15/28/04/180152804.db2.gz HBBDTBIRPULMLT-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091433161 180153469 /nfs/dbraw/zinc/15/34/69/180153469.db2.gz HXVWDSLXDVZODK-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP C[NH+](C)[C@H]1CCCN(Cc2ccccc2C[NH2+]C2CC2)C1 ZINC000091432379 180153611 /nfs/dbraw/zinc/15/36/11/180153611.db2.gz DDFOYQXRUWWMRO-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432325 180153686 /nfs/dbraw/zinc/15/36/86/180153686.db2.gz CMXHSBPQBNQQMN-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCCC[C@H]1COc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091435561 180154397 /nfs/dbraw/zinc/15/43/97/180154397.db2.gz SPQOSGYPLMOSIH-AWEZNQCLSA-N 2 0 292.427 2.228 10 0 CEAERP CC(C)CC[C@@H](C)[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091450367 180158271 /nfs/dbraw/zinc/15/82/71/180158271.db2.gz IXRUGFFEOMEZPD-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H]1CCC(C)(C)C[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091490574 180169993 /nfs/dbraw/zinc/16/99/93/180169993.db2.gz KTDKLRVGNSNMMB-SHWKFHJASA-N 2 0 268.445 2.103 10 0 CEAERP CC[NH2+][C@@H](CC[N@H+](C)CC1CC(O)C1)C(C)(C)C ZINC000091499036 180174175 /nfs/dbraw/zinc/17/41/75/180174175.db2.gz DLZVCQAXIPOVAN-RUXDESIVSA-N 2 0 256.434 2.103 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091392738 180145752 /nfs/dbraw/zinc/14/57/52/180145752.db2.gz VBSYCMJDMJMRPS-ZOBUZTSGSA-N 2 0 275.440 2.409 10 0 CEAERP CCOc1ccccc1[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395767 180146156 /nfs/dbraw/zinc/14/61/56/180146156.db2.gz UBFTYXIPPARBMQ-GOEBONIOSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091395689 180146219 /nfs/dbraw/zinc/14/62/19/180146219.db2.gz XYIVVTXRMZHREJ-PVAVHDDUSA-N 2 0 275.440 2.409 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])C2CCCCCC2)C1 ZINC000091394656 180146645 /nfs/dbraw/zinc/14/66/45/180146645.db2.gz LGIJHTRCOFWPGL-HOTGVXAUSA-N 2 0 267.461 2.310 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091405561 180147254 /nfs/dbraw/zinc/14/72/54/180147254.db2.gz CVGFHZYJKIIQTP-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000091428951 180152635 /nfs/dbraw/zinc/15/26/35/180152635.db2.gz PXQBJSKCGNTSNS-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847941 180270789 /nfs/dbraw/zinc/27/07/89/180270789.db2.gz JFDNHORTZOVSRG-OPFPJEHXSA-N 2 0 275.396 2.215 10 0 CEAERP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870685 180277340 /nfs/dbraw/zinc/27/73/40/180277340.db2.gz FEGSERYYOIPNBV-HSBZDZAISA-N 2 0 283.460 2.142 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)NC(C)C)CC1 ZINC000091870214 180277374 /nfs/dbraw/zinc/27/73/74/180277374.db2.gz CRBSCFRLNMZBGI-WLYUNCDWSA-N 2 0 283.460 2.142 10 0 CEAERP CCC1CCC(C[NH3+])([C@@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907333 180283890 /nfs/dbraw/zinc/28/38/90/180283890.db2.gz XITGXKTXSRSJGI-AVVWSFFYSA-N 2 0 266.429 2.131 10 0 CEAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]CC(C)C)n1 ZINC000091996299 180302459 /nfs/dbraw/zinc/30/24/59/180302459.db2.gz YLJXETKNMMFYBC-UHFFFAOYSA-N 2 0 265.401 2.076 10 0 CEAERP CC(C)[C@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003828 180304213 /nfs/dbraw/zinc/30/42/13/180304213.db2.gz NNRRHFSJVDCBPE-XHSDSOJGSA-N 2 0 295.471 2.083 10 0 CEAERP CC(C)[C@@H](CC[NH3+])CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003832 180304545 /nfs/dbraw/zinc/30/45/45/180304545.db2.gz NNRRHFSJVDCBPE-OAGGEKHMSA-N 2 0 295.471 2.083 10 0 CEAERP CC[NH2+]Cc1nc(C[NH+]2C[C@H](C)[C@@H](C)C2)cs1 ZINC000092089351 180321753 /nfs/dbraw/zinc/32/17/53/180321753.db2.gz HDBLOJAYNZVBPM-QWRGUYRKSA-N 2 0 253.415 2.340 10 0 CEAERP CCC[NH2+][C@H]1c2ccc(OCCC[NH+](C)C)cc2NC1=O ZINC000109576315 186264101 /nfs/dbraw/zinc/26/41/01/186264101.db2.gz SEMIXIWRAQRTGS-HNNXBMFYSA-N 2 0 291.395 2.010 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000109461580 186253876 /nfs/dbraw/zinc/25/38/76/186253876.db2.gz SFOCJRFYQRAMSA-KRWDZBQOSA-N 2 0 275.440 2.158 10 0 CEAERP Cc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]CC(C)C ZINC000110275330 186289508 /nfs/dbraw/zinc/28/95/08/186289508.db2.gz CQXQESZWRIPIDN-ZDUSSCGKSA-N 2 0 296.484 2.337 10 0 CEAERP Cc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C(C)(C)C ZINC000110275327 186289620 /nfs/dbraw/zinc/28/96/20/186289620.db2.gz VPCPQEKJVQGHSH-GFCCVEGCSA-N 2 0 296.484 2.480 10 0 CEAERP CCc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]C(C)C ZINC000110275383 186289781 /nfs/dbraw/zinc/28/97/81/186289781.db2.gz OOPOCWANLUBNRD-LBPRGKRZSA-N 2 0 296.484 2.344 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C(=[NH2+])NC2CCCCC2)C1 ZINC000110368894 186294923 /nfs/dbraw/zinc/29/49/23/186294923.db2.gz BMSHQOMHTIUHKR-CQSZACIVSA-N 2 0 266.433 2.260 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)[C@@H]2CCC[N@H+](C)C2)cc1F ZINC000110977837 186338841 /nfs/dbraw/zinc/33/88/41/186338841.db2.gz VSLPBRCLWLATHH-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@H]1CN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000110694771 186312529 /nfs/dbraw/zinc/31/25/29/186312529.db2.gz AXBMNLJSBYIWIA-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704822 186314030 /nfs/dbraw/zinc/31/40/30/186314030.db2.gz FSUOXBWSMGEOLH-TZMCWYRMSA-N 2 0 281.469 2.471 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716419 186315519 /nfs/dbraw/zinc/31/55/19/186315519.db2.gz PYIZHRHZGNQCAF-CJNGLKHVSA-N 2 0 291.439 2.110 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717312 186316050 /nfs/dbraw/zinc/31/60/50/186316050.db2.gz LOPSNTGOPZMZNJ-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@@H+]1CCN(C2(C[NH3+])CCCCCCC2)CC1(C)C ZINC000110711995 186316179 /nfs/dbraw/zinc/31/61/79/186316179.db2.gz WPCBIDMRHNOWNI-UHFFFAOYSA-N 2 0 267.461 2.454 10 0 CEAERP C[N@@H+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1(C)C ZINC000110755469 186320666 /nfs/dbraw/zinc/32/06/66/186320666.db2.gz KUVQDISUFSWSID-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110754290 186321093 /nfs/dbraw/zinc/32/10/93/186321093.db2.gz XGXMXFSAVFPION-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747256 186321523 /nfs/dbraw/zinc/32/15/23/186321523.db2.gz RCXRUXKZKSKPID-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H]1CN([C@@H](C)C[NH2+]C2CCCCC2)CC[N@@H+]1C ZINC000110757034 186321610 /nfs/dbraw/zinc/32/16/10/186321610.db2.gz PEGPSTCALHIYCP-GOEBONIOSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](C)c1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000111149643 186360363 /nfs/dbraw/zinc/36/03/63/186360363.db2.gz BYRNMTYTWDQRIM-CYBMUJFWSA-N 2 0 292.427 2.382 10 0 CEAERP CCOCC[N@H+](CC)[C@@H](CC[NH3+])c1ccccc1 ZINC000111117250 186355299 /nfs/dbraw/zinc/35/52/99/186355299.db2.gz IEHUELRJOZKVLQ-HNNXBMFYSA-N 2 0 250.386 2.435 10 0 CEAERP Cc1cc(C)c([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)c1 ZINC000111133887 186356636 /nfs/dbraw/zinc/35/66/36/186356636.db2.gz JFCUJPPQGWJRCX-MRXNPFEDSA-N 2 0 277.456 2.495 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN(C)CCC[NH+](C)C ZINC000111136427 186356931 /nfs/dbraw/zinc/35/69/31/186356931.db2.gz DBXHLRFHWHXCLG-CYBMUJFWSA-N 2 0 279.428 2.098 10 0 CEAERP CN(CCC[NH+](C)C)C[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111136113 186357167 /nfs/dbraw/zinc/35/71/67/186357167.db2.gz VAZSLDKJJPBSMP-AWDGRILASA-N 2 0 293.499 2.414 10 0 CEAERP Cc1ccc(C)c([C@@H]([NH3+])CN(C)CCC[NH+](C)C)c1 ZINC000111136254 186357215 /nfs/dbraw/zinc/35/72/15/186357215.db2.gz WUZDZLYQTHZUDO-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccccc1OC ZINC000111134518 186357218 /nfs/dbraw/zinc/35/72/18/186357218.db2.gz HZHNJBMFZRQPQP-INIZCTEOSA-N 2 0 293.455 2.229 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111134412 186357303 /nfs/dbraw/zinc/35/73/03/186357303.db2.gz OCVSMAWVXDPVCC-INIZCTEOSA-N 2 0 263.429 2.057 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111136270 186357724 /nfs/dbraw/zinc/35/77/24/186357724.db2.gz SXTGIYSHYXUFED-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135164 186357996 /nfs/dbraw/zinc/35/79/96/186357996.db2.gz RHFLEELXYFENHQ-PMPSAXMXSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1C ZINC000111135705 186358019 /nfs/dbraw/zinc/35/80/19/186358019.db2.gz RAJOLOXEDZMQMD-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1cccc(OC)c1 ZINC000111134807 186358058 /nfs/dbraw/zinc/35/80/58/186358058.db2.gz UHGUSNOSZHAZGV-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CCC[NH2+]CC1(CN(C)CCC[NH+](C)C)CCCC1 ZINC000111148282 186358226 /nfs/dbraw/zinc/35/82/26/186358226.db2.gz MWPWKAQMSLWWHW-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CC[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000111147284 186358574 /nfs/dbraw/zinc/35/85/74/186358574.db2.gz MUURZZPCXBHGLW-INIZCTEOSA-N 2 0 281.419 2.360 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171865 186365166 /nfs/dbraw/zinc/36/51/66/186365166.db2.gz IHVGWLXUHXQWEY-RRFJBIMHSA-N 2 0 254.418 2.123 10 0 CEAERP COC1CC[NH+](C[C@]2(C[NH2+]CC(C)C)CCCOC2)CC1 ZINC000111325057 186398868 /nfs/dbraw/zinc/39/88/68/186398868.db2.gz VGSUKMXEWQGLNK-QGZVFWFLSA-N 2 0 298.471 2.140 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326440 186399201 /nfs/dbraw/zinc/39/92/01/186399201.db2.gz UQURAKKYOURJCQ-IRXDYDNUSA-N 2 0 298.471 2.284 10 0 CEAERP Cc1c[nH+]ccc1N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000630525334 351772566 /nfs/dbraw/zinc/77/25/66/351772566.db2.gz DSWQDTHQYVQWFP-GHMZBOCLSA-N 2 0 273.302 2.354 10 0 CEAERP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC(C)(C)C1 ZINC000226744933 291146309 /nfs/dbraw/zinc/14/63/09/291146309.db2.gz VAWCJRWVFROVEY-KBPBESRZSA-N 2 0 256.434 2.369 10 0 CEAERP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000570918457 299285710 /nfs/dbraw/zinc/28/57/10/299285710.db2.gz LVXKSLDHMQMZJQ-WCQYABFASA-N 2 0 268.351 2.485 10 0 CEAERP COc1ccc([C@@H]([NH3+])c2cccn2CC[NH+](C)C)cc1 ZINC000011848779 361366491 /nfs/dbraw/zinc/36/64/91/361366491.db2.gz FKBLSZVSAWEHJG-MRXNPFEDSA-N 2 0 273.380 2.106 10 0 CEAERP C[NH+](C)CCOc1cccc(NC2CCC([NH3+])CC2)c1 ZINC000094079795 364251082 /nfs/dbraw/zinc/25/10/82/364251082.db2.gz OJTLCJYRKQAONN-UHFFFAOYSA-N 2 0 277.412 2.309 10 0 CEAERP C[C@@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631838851 367579237 /nfs/dbraw/zinc/57/92/37/367579237.db2.gz WDJCWRDVLLRQJD-ZBFHGGJFSA-N 2 0 262.397 2.120 10 0 CEAERP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000185204539 368767080 /nfs/dbraw/zinc/76/70/80/368767080.db2.gz KJZAXTYXQYOLTI-ARFHVFGLSA-N 2 0 298.471 2.015 10 0 CEAERP O[C@H](C[NH2+][C@H]1CCC12CCCC2)C[NH+]1CCCCC1 ZINC000189080521 369453864 /nfs/dbraw/zinc/45/38/64/369453864.db2.gz KZZJMBZPOFNDJD-CABCVRRESA-N 2 0 266.429 2.146 10 0 CEAERP Fc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000231420179 189813201 /nfs/dbraw/zinc/81/32/01/189813201.db2.gz BFFKDSOGYPNFMD-OAHLLOKOSA-N 2 0 263.360 2.185 10 0 CEAERP COCc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231455007 370478785 /nfs/dbraw/zinc/47/87/85/370478785.db2.gz JVKMMFLWORLPDC-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231460715 370480804 /nfs/dbraw/zinc/48/08/04/370480804.db2.gz KPPSZDOOOFDIBI-MRXNPFEDSA-N 2 0 284.407 2.446 10 0 CEAERP C[N@H+](CCOc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231671123 370486969 /nfs/dbraw/zinc/48/69/69/370486969.db2.gz BDEQDHCEDPJXNJ-CYBMUJFWSA-N 2 0 266.360 2.278 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261577492 371659499 /nfs/dbraw/zinc/65/94/99/371659499.db2.gz CSXBJPXBXXOOPT-OBJOEFQTSA-N 2 0 264.344 2.003 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743656 371717803 /nfs/dbraw/zinc/71/78/03/371717803.db2.gz MGNQVTSCIAADGG-RAIGVLPGSA-N 2 0 282.334 2.457 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743658 371718466 /nfs/dbraw/zinc/71/84/66/371718466.db2.gz MGNQVTSCIAADGG-WCFLWFBJSA-N 2 0 282.334 2.457 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261813016 371740068 /nfs/dbraw/zinc/74/00/68/371740068.db2.gz ZWPBYVSNTKWFAS-JKSUJKDBSA-N 2 0 295.471 2.227 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000643454152 373126037 /nfs/dbraw/zinc/12/60/37/373126037.db2.gz JALHTSLBIDHLKY-JYJNAYRXSA-N 3 0 269.477 2.475 10 0 CEAERP CCC1(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256158 206264948 /nfs/dbraw/zinc/26/49/48/206264948.db2.gz MCDDRFLLSQQCPT-INIZCTEOSA-N 2 0 266.429 2.269 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000389868488 375307591 /nfs/dbraw/zinc/30/75/91/375307591.db2.gz NHIZZSXNIYBBCZ-UBDQQSCGSA-N 2 0 287.451 2.224 10 0 CEAERP c1ccc(COC2CC([NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000563616008 377263434 /nfs/dbraw/zinc/26/34/34/377263434.db2.gz CKRFZXGUYZYUAU-UHFFFAOYSA-N 2 0 260.381 2.076 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCC[N@H+](C)C[C@@H](C)CC ZINC000085239968 184608565 /nfs/dbraw/zinc/60/85/65/184608565.db2.gz JHGLDRPLUMXQQG-LSDHHAIUSA-N 2 0 258.450 2.495 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc([C@@H](C)[NH3+])cs2)CC1 ZINC000080805921 177710296 /nfs/dbraw/zinc/71/02/96/177710296.db2.gz OVXAJTSGCRKDIH-SNVBAGLBSA-N 2 0 268.430 2.083 10 0 CEAERP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000094010153 184749757 /nfs/dbraw/zinc/74/97/57/184749757.db2.gz VKPIXCCCHMLCCR-CYBMUJFWSA-N 2 0 262.397 2.303 10 0 CEAERP CCC[NH2+][C@@H]1[C@H](N(C)CC[NH+](C)C)CCC1(C)C ZINC000094306236 184778860 /nfs/dbraw/zinc/77/88/60/184778860.db2.gz QADPTRXYNYXXBX-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccccc1C1CC1 ZINC000094527730 184813737 /nfs/dbraw/zinc/81/37/37/184813737.db2.gz UPRABOCNXVODBY-QGZVFWFLSA-N 2 0 275.440 2.447 10 0 CEAERP C[N@H+](CCC[C@](C)(O)C[NH3+])C1CCC(C)(C)CC1 ZINC000094862496 184882348 /nfs/dbraw/zinc/88/23/48/184882348.db2.gz BTFFRPRXASADED-HNNXBMFYSA-N 2 0 256.434 2.377 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000070578386 134952785 /nfs/dbraw/zinc/95/27/85/134952785.db2.gz DDDPLLXQQIECGB-GDBMZVCRSA-N 2 0 291.414 2.465 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2ccc(C(N)=[NH2+])c(Cl)c2)C1 ZINC000091393960 135069098 /nfs/dbraw/zinc/06/90/98/135069098.db2.gz HINVZLNROLBFNY-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000093220982 135079650 /nfs/dbraw/zinc/07/96/50/135079650.db2.gz IMJFYFAXFCNYBI-NVXWUHKLSA-N 2 0 273.424 2.387 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000093395287 135080210 /nfs/dbraw/zinc/08/02/10/135080210.db2.gz XXTBZDCQYPUYGY-UHFFFAOYSA-N 2 0 265.376 2.205 10 0 CEAERP [NH3+]Cc1cc(Cl)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094438305 135087831 /nfs/dbraw/zinc/08/78/31/135087831.db2.gz DYLNGMKJLKVJDX-CQSZACIVSA-N 2 0 279.815 2.473 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(C[NH3+])cc1Cl ZINC000094443295 135088557 /nfs/dbraw/zinc/08/85/57/135088557.db2.gz YFVBMYYIUJSWDM-WCQYABFASA-N 2 0 294.830 2.257 10 0 CEAERP Brc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000258922968 394599278 /nfs/dbraw/zinc/59/92/78/394599278.db2.gz OPEXVKOWAQEQBK-LLVKDONJSA-N 2 0 269.186 2.148 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000261918624 394609324 /nfs/dbraw/zinc/60/93/24/394609324.db2.gz BIKQNICHZZKCAU-ZBFHGGJFSA-N 2 0 276.428 2.082 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000121086410 394791600 /nfs/dbraw/zinc/79/16/00/394791600.db2.gz NVCCLYYLUQENGQ-HOTGVXAUSA-N 2 0 280.456 2.367 10 0 CEAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000422858263 394833953 /nfs/dbraw/zinc/83/39/53/394833953.db2.gz ZNOIOJKFBQDDAT-HBNTYKKESA-N 2 0 250.308 2.307 10 0 CEAERP CCC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC000162312519 395073374 /nfs/dbraw/zinc/07/33/74/395073374.db2.gz BSBJZSGRWDWATN-HZPDHXFCSA-N 2 0 295.471 2.051 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000177133427 395146203 /nfs/dbraw/zinc/14/62/03/395146203.db2.gz LNVQPTFSTBCBFP-GJZGRUSLSA-N 2 0 291.439 2.167 10 0 CEAERP c1cc(N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000038096043 400122922 /nfs/dbraw/zinc/12/29/22/400122922.db2.gz IHZAKXZKRNNBBJ-INIZCTEOSA-N 2 0 275.396 2.209 10 0 CEAERP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263193497 154032457 /nfs/dbraw/zinc/03/24/57/154032457.db2.gz IDORJEWCIYWQGS-MJGOQNOKSA-N 2 0 296.414 2.332 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000263206519 154033962 /nfs/dbraw/zinc/03/39/62/154033962.db2.gz JTRDUXJBYOTWIA-DTZQCDIJSA-N 2 0 294.826 2.146 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000263252637 154043813 /nfs/dbraw/zinc/04/38/13/154043813.db2.gz QCHCDVQFWXBEEH-DZGCQCFKSA-N 2 0 288.416 2.085 10 0 CEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000263252638 154046388 /nfs/dbraw/zinc/04/63/88/154046388.db2.gz QCHCDVQFWXBEEH-HIFRSBDPSA-N 2 0 288.416 2.085 10 0 CEAERP Cc1ccc(-c2cccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)c2)cc1 ZINC000263283190 154048672 /nfs/dbraw/zinc/04/86/72/154048672.db2.gz UOYVRABWMJCYTR-OALUTQOASA-N 2 0 296.414 2.332 10 0 CEAERP CSCC1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400748304 286661936 /nfs/dbraw/zinc/66/19/36/286661936.db2.gz UYXMVDJUJHERPB-NELGMTEASA-N 2 0 256.459 2.496 10 0 CEAERP COCC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000008731186 170351137 /nfs/dbraw/zinc/35/11/37/170351137.db2.gz JMNPTVZBJPXASX-UHFFFAOYSA-N 2 0 262.397 2.135 10 0 CEAERP [NH3+]C[C@H](c1ccco1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225286 171087754 /nfs/dbraw/zinc/08/77/54/171087754.db2.gz LTKJAIYUCVJFBS-OAHLLOKOSA-N 2 0 277.412 2.087 10 0 CEAERP [NH3+]CC[C@@H](COc1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000020402163 171182590 /nfs/dbraw/zinc/18/25/90/171182590.db2.gz XWPKZQNIDSMEKT-NSHDSACASA-N 2 0 270.323 2.157 10 0 CEAERP C[NH+](C)C1CCN([C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000036191985 172503754 /nfs/dbraw/zinc/50/37/54/172503754.db2.gz ZRANFQOLJRGNEM-CABCVRRESA-N 2 0 253.434 2.063 10 0 CEAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3C2)C1 ZINC000040593368 174347458 /nfs/dbraw/zinc/34/74/58/174347458.db2.gz DEYUVOUQGMRMBN-WMLDXEAASA-N 2 0 258.409 2.475 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040670590 174368879 /nfs/dbraw/zinc/36/88/79/174368879.db2.gz USPDDRCIHJNGMH-RHSMWYFYSA-N 2 0 295.471 2.145 10 0 CEAERP CC[C@@H](C)[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694410 174377792 /nfs/dbraw/zinc/37/77/92/174377792.db2.gz ZHZDICPTPPCJPU-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000040735924 174389345 /nfs/dbraw/zinc/38/93/45/174389345.db2.gz DLIUAWNSRRAUNC-DZGCQCFKSA-N 2 0 262.397 2.255 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000043363795 175024104 /nfs/dbraw/zinc/02/41/04/175024104.db2.gz JPGMKMXMVKODCQ-WFASDCNBSA-N 2 0 265.401 2.002 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[N@H+](C)CC1 ZINC000043363935 175025095 /nfs/dbraw/zinc/02/50/95/175025095.db2.gz FKODOIFEQZKTHS-UKRRQHHQSA-N 2 0 265.401 2.004 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)o1 ZINC000043365378 175026193 /nfs/dbraw/zinc/02/61/93/175026193.db2.gz VWVGTHFOXQAVSX-GDBMZVCRSA-N 2 0 281.444 2.496 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1C ZINC000043811011 175110564 /nfs/dbraw/zinc/11/05/64/175110564.db2.gz UXDPHMFLMGDFCX-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815442 175112542 /nfs/dbraw/zinc/11/25/42/175112542.db2.gz IJFBJYOIKLNREI-UKRRQHHQSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818168 175112854 /nfs/dbraw/zinc/11/28/54/175112854.db2.gz ZUNHYLLFXFACMM-RDJZCZTQSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907748 175123139 /nfs/dbraw/zinc/12/31/39/175123139.db2.gz HFGDCLIMNJSPQZ-SJORKVTESA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(OC)c(C[N@H+](C)CCOC)c1 ZINC000043916146 175125158 /nfs/dbraw/zinc/12/51/58/175125158.db2.gz PPVFQOAAAYZJRC-CYBMUJFWSA-N 2 0 280.412 2.444 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CC[NH+](CC2CC2)CC1 ZINC000043967875 175129022 /nfs/dbraw/zinc/12/90/22/175129022.db2.gz NKSJHSPWDJMHGB-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NCCC[NH+](CC)CC ZINC000044794096 175254341 /nfs/dbraw/zinc/25/43/41/175254341.db2.gz KNKYZORBAKBAAT-UHFFFAOYSA-N 2 0 285.476 2.380 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N2CCC[C@H]2C2CCCC2)CC1 ZINC000045071328 175301115 /nfs/dbraw/zinc/30/11/15/175301115.db2.gz UVZXGULPDGPQMN-INIZCTEOSA-N 2 0 279.472 2.454 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045113981 175311256 /nfs/dbraw/zinc/31/12/56/175311256.db2.gz VMBXJTDAXSXPQT-NWDGAFQWSA-N 2 0 278.400 2.039 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](Cn2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000045136017 175313500 /nfs/dbraw/zinc/31/35/00/175313500.db2.gz CMWSQCZMOCZXMD-NSHDSACASA-N 2 0 276.359 2.488 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C(N)=O ZINC000045373404 175365028 /nfs/dbraw/zinc/36/50/28/175365028.db2.gz MVYRXYBPEBVANB-INMHGKMJSA-N 2 0 297.487 2.377 10 0 CEAERP CCCC[NH+](CCCC)CCC[C@](C)([NH2+]C)C(N)=O ZINC000045380620 175369933 /nfs/dbraw/zinc/36/99/33/175369933.db2.gz UJOSYGSAQCIWQL-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH3+])C(=O)OC)C(C)C ZINC000045385807 175372207 /nfs/dbraw/zinc/37/22/07/175372207.db2.gz NAOQMZQTOXGALV-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](CC)C1CCCC1)C(N)=O ZINC000045390502 175374495 /nfs/dbraw/zinc/37/44/95/175374495.db2.gz LDUYMUNEHVRHCB-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCOC(C)(C)C2)CC1 ZINC000070368584 175898584 /nfs/dbraw/zinc/89/85/84/175898584.db2.gz FOHMLSXUJUACQS-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP COCC[NH2+]CC1CC[NH+](CCc2ccsc2)CC1 ZINC000070534794 175975132 /nfs/dbraw/zinc/97/51/32/175975132.db2.gz YSIKWCQTFDOZNI-UHFFFAOYSA-N 2 0 282.453 2.239 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071038099 176026632 /nfs/dbraw/zinc/02/66/32/176026632.db2.gz FCXNMYQZQBPGHF-HOTGVXAUSA-N 2 0 297.487 2.486 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000071124581 176034854 /nfs/dbraw/zinc/03/48/54/176034854.db2.gz QIHSMIDZQGRVHL-XHSDSOJGSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](CCOC)[C@@H](C)COC)C1 ZINC000071124167 176035117 /nfs/dbraw/zinc/03/51/17/176035117.db2.gz MESIQKMBIZHTJN-XHSDSOJGSA-N 2 0 286.460 2.267 10 0 CEAERP C[C@@H]1CCC[C@H]([NH+]2CCN(CCCCC[NH3+])CC2)C1 ZINC000071147464 176043390 /nfs/dbraw/zinc/04/33/90/176043390.db2.gz DFGUEQGLJWGHKJ-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CCC[C@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC000071147413 176043623 /nfs/dbraw/zinc/04/36/23/176043623.db2.gz BPUDZCIAFFMMSU-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CCCC[C@@H](CC)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150922 176045249 /nfs/dbraw/zinc/04/52/49/176045249.db2.gz AOQWWMVFYANVET-OAHLLOKOSA-N 2 0 255.450 2.040 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188394 176063086 /nfs/dbraw/zinc/06/30/86/176063086.db2.gz VXAFSUQFHFPTEK-RHSMWYFYSA-N 2 0 275.440 2.132 10 0 CEAERP Cc1ccc(C)c([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188330 176063182 /nfs/dbraw/zinc/06/31/82/176063182.db2.gz JUTJQFAIOZTTNQ-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP C[NH2+][C@@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189410 176064861 /nfs/dbraw/zinc/06/48/61/176064861.db2.gz ASKQZJFWKYOIFH-QWHCGFSZSA-N 2 0 279.403 2.494 10 0 CEAERP C[N@@H+](Cc1ccc2c(c1)CCCN2)C[C@@H]1CC[NH+](C)C1 ZINC000071190881 176067612 /nfs/dbraw/zinc/06/76/12/176067612.db2.gz MKUQJRBFGODYCN-OAHLLOKOSA-N 2 0 273.424 2.428 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ncccc1C[NH2+]C(C)(C)C ZINC000071191655 176069696 /nfs/dbraw/zinc/06/96/96/176069696.db2.gz HXRBJUJQKNULRU-AWEZNQCLSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191840 176071204 /nfs/dbraw/zinc/07/12/04/176071204.db2.gz FPUAXZYGGKRANB-HUUCEWRRSA-N 3 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191841 176071983 /nfs/dbraw/zinc/07/19/83/176071983.db2.gz FPUAXZYGGKRANB-LSDHHAIUSA-N 3 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191826 176072602 /nfs/dbraw/zinc/07/26/02/176072602.db2.gz XMIZGZACXJZMHT-CQSZACIVSA-N 2 0 279.428 2.163 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N(C)C[C@@H]3CC[N@H+](C)C3)sc21 ZINC000071192517 176074826 /nfs/dbraw/zinc/07/48/26/176074826.db2.gz YUBPFWMSXGSOIH-NEPJUHHUSA-N 2 0 294.468 2.128 10 0 CEAERP COCC[NH+](CCC[C@@H]([NH3+])c1ccccc1)CCOC ZINC000071401798 176154010 /nfs/dbraw/zinc/15/40/10/176154010.db2.gz DXHNOCSVGCNPDR-MRXNPFEDSA-N 2 0 280.412 2.061 10 0 CEAERP COCC1CC[NH+](C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000078439170 177341567 /nfs/dbraw/zinc/34/15/67/177341567.db2.gz ZFXUGCRUCIXRDQ-CYBMUJFWSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)NCCC[NH+]1CCCC1 ZINC000079236023 177453048 /nfs/dbraw/zinc/45/30/48/177453048.db2.gz KLMQAEONXUAZJZ-HNNXBMFYSA-N 2 0 283.460 2.134 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1CN(C)CC[NH+](C)C ZINC000079673156 177534273 /nfs/dbraw/zinc/53/42/73/177534273.db2.gz QQPBKPSDCQKEAL-HUUCEWRRSA-N 2 0 269.477 2.284 10 0 CEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C1 ZINC000390555423 262216387 /nfs/dbraw/zinc/21/63/87/262216387.db2.gz LFUUICPNYHESCS-SJORKVTESA-N 2 0 287.451 2.239 10 0 CEAERP OCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000423007353 270818208 /nfs/dbraw/zinc/81/82/08/270818208.db2.gz QKOYJDDGNVPYMV-HUUCEWRRSA-N 2 0 254.418 2.049 10 0 CEAERP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296680547 277079393 /nfs/dbraw/zinc/07/93/93/277079393.db2.gz LJAOXRHXSPTWMT-WFASDCNBSA-N 2 0 260.381 2.453 10 0 CEAERP CCC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245653439 280254920 /nfs/dbraw/zinc/25/49/20/280254920.db2.gz IDWATPKTEDZISZ-GJZGRUSLSA-N 2 0 270.461 2.447 10 0 CEAERP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000258932601 280527778 /nfs/dbraw/zinc/52/77/78/280527778.db2.gz POHNVVANZPMKIS-LLVKDONJSA-N 2 0 299.212 2.157 10 0 CEAERP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000089144486 290043318 /nfs/dbraw/zinc/04/33/18/290043318.db2.gz LPNNKQUCAIDMIL-UHTWSYAYSA-N 2 0 288.395 2.024 10 0 CEAERP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000252678392 295182632 /nfs/dbraw/zinc/18/26/32/295182632.db2.gz IOENNSIFFRLCQN-SLEUVZQESA-N 2 0 278.396 2.482 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000231296176 298877165 /nfs/dbraw/zinc/87/71/65/298877165.db2.gz NBGFGIVRPXWZMQ-LVQVYYBASA-N 2 0 268.445 2.438 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)[C@@H]2CCSC2)CCOCC1 ZINC000052181490 519719532 /nfs/dbraw/zinc/71/95/32/519719532.db2.gz ANQAWVQYFVFCRK-CQSZACIVSA-N 2 0 286.485 2.219 10 0 CEAERP CCC[NH+]1CCN([C@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554501 519860338 /nfs/dbraw/zinc/86/03/38/519860338.db2.gz GEFBLLIYWBRGMO-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CCCC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C)O2)CC1 ZINC000052374056 519901733 /nfs/dbraw/zinc/90/17/33/519901733.db2.gz CPFSXAJREIALTA-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1occc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654413 519972418 /nfs/dbraw/zinc/97/24/18/519972418.db2.gz ZHPHAQNPRNXYOG-HNNXBMFYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)on1 ZINC000052420675 519991261 /nfs/dbraw/zinc/99/12/61/519991261.db2.gz OBYVVNIZZCULTQ-VXGBXAGGSA-N 2 0 251.374 2.262 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069288292 520063284 /nfs/dbraw/zinc/06/32/84/520063284.db2.gz IREFTHCVDMTSSN-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CCO[C@H](C[NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000062739429 520517499 /nfs/dbraw/zinc/51/74/99/520517499.db2.gz ISHANNHCWRVOCU-OAHLLOKOSA-N 2 0 250.386 2.261 10 0 CEAERP CC[NH+](CC)CCOCc1csc(C[NH2+]C(C)C)n1 ZINC000052671552 520694915 /nfs/dbraw/zinc/69/49/15/520694915.db2.gz WUYZXGHFOZNVJA-UHFFFAOYSA-N 2 0 285.457 2.500 10 0 CEAERP CCC[C@](C)(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978629 521266882 /nfs/dbraw/zinc/26/68/82/521266882.db2.gz DIBPITRIRSNJTC-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@H+]([C@@H](C)COC)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055023372 521471751 /nfs/dbraw/zinc/47/17/51/521471751.db2.gz ARAZJPVGPMEYKT-JSGCOSHPSA-N 2 0 263.385 2.411 10 0 CEAERP CC[NH+]1CCC(N(C)c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000054908113 521568814 /nfs/dbraw/zinc/56/88/14/521568814.db2.gz FHJGAMSZIMCJCQ-LLVKDONJSA-N 2 0 282.457 2.344 10 0 CEAERP CCC(CC)[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655143 521596145 /nfs/dbraw/zinc/59/61/45/521596145.db2.gz WKZQZFKQHILZJE-UKRRQHHQSA-N 2 0 255.450 2.179 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017544 521657526 /nfs/dbraw/zinc/65/75/26/521657526.db2.gz GLTUREWCTXIVFX-INIZCTEOSA-N 2 0 263.429 2.350 10 0 CEAERP CCC[N@H+](CCOC(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049260919 521668936 /nfs/dbraw/zinc/66/89/36/521668936.db2.gz AAWXCKZYOKEOMG-YIONKMFJSA-N 2 0 254.418 2.406 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543959 522543635 /nfs/dbraw/zinc/54/36/35/522543635.db2.gz KEZQSQIQQMUPOZ-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)(C)[NH2+]CC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000068890159 518755459 /nfs/dbraw/zinc/75/54/59/518755459.db2.gz AUGDHMCPXVTOAP-NSHDSACASA-N 2 0 282.350 2.010 10 0 CEAERP CC(C)[NH+](CCNC(=O)CC[C@@H]1CCCC[NH2+]1)C(C)C ZINC000050939129 519646893 /nfs/dbraw/zinc/64/68/93/519646893.db2.gz RJYWSOSCIUHSNF-HNNXBMFYSA-N 2 0 283.460 2.144 10 0 CEAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000055146215 519647561 /nfs/dbraw/zinc/64/75/61/519647561.db2.gz NKNNYWFFMOMCLV-JKSUJKDBSA-N 2 0 297.487 2.377 10 0 CEAERP CC(C)CC[NH2+]C[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000053495847 519663432 /nfs/dbraw/zinc/66/34/32/519663432.db2.gz TYNFGLVOSKEADW-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](C)CC[NH2+]C(C)C ZINC000052503422 519716750 /nfs/dbraw/zinc/71/67/50/519716750.db2.gz KMFASMYMSIIKRD-OAHLLOKOSA-N 2 0 257.466 2.283 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083733 519725613 /nfs/dbraw/zinc/72/56/13/519725613.db2.gz OWGMMFXXHYNNGQ-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])c2ccc(F)cc2)CC1 ZINC000055082212 519726145 /nfs/dbraw/zinc/72/61/45/519726145.db2.gz VMSIOXSERNDYNR-QGZVFWFLSA-N 2 0 293.430 2.489 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000055077571 519727825 /nfs/dbraw/zinc/72/78/25/519727825.db2.gz ORTFNNJAIXAZOM-BZUAXINKSA-N 2 0 267.461 2.024 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)C(C)C)CCOCC1 ZINC000052180885 519742910 /nfs/dbraw/zinc/74/29/10/519742910.db2.gz IZOBUZLBPCZSSU-UHFFFAOYSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)C2CC2)CCOCC1 ZINC000052181277 519742930 /nfs/dbraw/zinc/74/29/30/519742930.db2.gz NRHOOMLMCBWEPF-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571567 519743124 /nfs/dbraw/zinc/74/31/24/519743124.db2.gz GDGDINDFGGYVQP-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)OCC[C@H]1CCC[N@@H+]1C ZINC000052672826 519794844 /nfs/dbraw/zinc/79/48/44/519794844.db2.gz VDAMRJJPJXCHET-HUUCEWRRSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052421703 519859623 /nfs/dbraw/zinc/85/96/23/519859623.db2.gz ZPVMCKZQQAKNTJ-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCN(C)C1 ZINC000054628674 519908749 /nfs/dbraw/zinc/90/87/49/519908749.db2.gz VXAOKIDZLXILTA-WTXIUTQJSA-N 2 0 265.445 2.076 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)[NH+]1CCCCC1 ZINC000054629476 519910937 /nfs/dbraw/zinc/91/09/37/519910937.db2.gz ZBRACQKANZIBRX-MGNMYUMUSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(CCC)CC1 ZINC000052421968 519913465 /nfs/dbraw/zinc/91/34/65/519913465.db2.gz VNNJOHTXLMLAIU-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CCCCCN1CC[NH+](CC(C)C)CC1 ZINC000055082951 519919158 /nfs/dbraw/zinc/91/91/58/519919158.db2.gz ZMNXRQVFXHNWII-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CC[NH2+]CCC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082914 519920384 /nfs/dbraw/zinc/92/03/84/519920384.db2.gz OQOJYQGGSIAUDJ-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074603 519931831 /nfs/dbraw/zinc/93/18/31/519931831.db2.gz BMVLWHBCWUFUKJ-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]C[C@@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417104 519942683 /nfs/dbraw/zinc/94/26/83/519942683.db2.gz QLWQGSYBNQONKM-MRXNPFEDSA-N 2 0 275.440 2.050 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](CCOC)[C@@H](C)COC)o1 ZINC000052572330 519946891 /nfs/dbraw/zinc/94/68/91/519946891.db2.gz DJMRWFNYUNLEFF-AWEZNQCLSA-N 2 0 298.427 2.263 10 0 CEAERP CCC[NH2+]Cc1cc(F)ccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062967161 519947792 /nfs/dbraw/zinc/94/77/92/519947792.db2.gz WBAULPHMJKSXAR-OAHLLOKOSA-N 2 0 279.403 2.466 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061654577 519949725 /nfs/dbraw/zinc/94/97/25/519949725.db2.gz ZRELTBWPVRETDE-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011760 519950940 /nfs/dbraw/zinc/95/09/40/519950940.db2.gz DTNLZRLJWFRBBZ-HOTGVXAUSA-N 3 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CC[NH+](CC(C)C)CC1 ZINC000055082454 519956808 /nfs/dbraw/zinc/95/68/08/519956808.db2.gz GFZRNQOBUQFZFZ-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062975169 519966303 /nfs/dbraw/zinc/96/63/03/519966303.db2.gz OWDGUZMCSKKRHT-ZDUSSCGKSA-N 2 0 294.468 2.317 10 0 CEAERP CC[NH2+][C@H](CCN1CC[NH+](C)CC1)c1ccccc1C ZINC000054015708 520188553 /nfs/dbraw/zinc/18/85/53/520188553.db2.gz PWDCIEBYWGWYSK-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP CC[N@H+](CC(C)C)C[C@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052449907 520412711 /nfs/dbraw/zinc/41/27/11/520412711.db2.gz GJIGZWOOBAVXIE-HUUCEWRRSA-N 2 0 254.418 2.264 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](CC)Cc1ccccc1 ZINC000062740798 520515694 /nfs/dbraw/zinc/51/56/94/520515694.db2.gz NWUOMKATGURBKK-HNNXBMFYSA-N 2 0 250.386 2.262 10 0 CEAERP CC[N@H+](CC1CC1)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000069262807 520957196 /nfs/dbraw/zinc/95/71/96/520957196.db2.gz AGAZXZNKXSSWAL-MRXNPFEDSA-N 2 0 266.429 2.267 10 0 CEAERP CCC[C@H](C)C[N@@H+]1CCCN(C[C@@H](C)C[NH3+])CC1 ZINC000051297758 521020613 /nfs/dbraw/zinc/02/06/13/521020613.db2.gz CUYSATAXYZELJJ-GJZGRUSLSA-N 2 0 255.450 2.025 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643561 521228071 /nfs/dbraw/zinc/22/80/71/521228071.db2.gz AWICBMNVRJXHDD-WBVHZDCISA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@]1(CN2CCC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000062943160 521315058 /nfs/dbraw/zinc/31/50/58/521315058.db2.gz SRKHFBSOZJIPPZ-SJORKVTESA-N 2 0 279.472 2.326 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075897 521352432 /nfs/dbraw/zinc/35/24/32/521352432.db2.gz NXEUPKGTCNICEB-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(C)c(C[NH2+]C)o2)CC1 ZINC000052544087 521565248 /nfs/dbraw/zinc/56/52/48/521565248.db2.gz SEPXKHSGLAUEAX-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CCC(CC)[C@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064556 521615936 /nfs/dbraw/zinc/61/59/36/521615936.db2.gz GSMYPNUJMMXGGU-ZFWWWQNUSA-N 2 0 255.450 2.166 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)CC[NH+](C)C)C1 ZINC000049553827 521626882 /nfs/dbraw/zinc/62/68/82/521626882.db2.gz XEOFHIGVKUYJAD-RRFJBIMHSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+]CCCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374739 521992626 /nfs/dbraw/zinc/99/26/26/521992626.db2.gz RDLMHVBTOCLVON-UHFFFAOYSA-N 2 0 279.403 2.337 10 0 CEAERP C[NH2+]Cc1cccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000052543419 522126544 /nfs/dbraw/zinc/12/65/44/522126544.db2.gz FGWNEYNGQFQBBS-CYBMUJFWSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063922 522128524 /nfs/dbraw/zinc/12/85/24/522128524.db2.gz AAMOBEWGGMIZCM-PBHICJAKSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064824 522132264 /nfs/dbraw/zinc/13/22/64/522132264.db2.gz RYRTUFCUCVWKBG-MLGOLLRUSA-N 2 0 297.393 2.381 10 0 CEAERP C[NH2+]Cc1cccc(OCC[N@H+](CCOC)CC(C)C)c1 ZINC000052508574 522134541 /nfs/dbraw/zinc/13/45/41/522134541.db2.gz ZEACZODBFFATRW-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc([C@H](C)[NH2+]C)s2)CC1 ZINC000055076255 522137909 /nfs/dbraw/zinc/13/79/09/522137909.db2.gz DMJKGVVQEPUVJV-NEPJUHHUSA-N 2 0 282.457 2.344 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477570 522188822 /nfs/dbraw/zinc/18/88/22/522188822.db2.gz HKEWMJUIZPCLJM-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@@H]1COc2cc(OCCC[NH+]3CCCC3)ccc21 ZINC000062804003 522398188 /nfs/dbraw/zinc/39/81/88/522398188.db2.gz IBQIZACTTHOJAS-OAHLLOKOSA-N 2 0 276.380 2.204 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C(C)C ZINC000052511568 522594634 /nfs/dbraw/zinc/59/46/34/522594634.db2.gz WEVJOIAHGLOITN-LBPRGKRZSA-N 2 0 254.374 2.244 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977288 522654061 /nfs/dbraw/zinc/65/40/61/522654061.db2.gz PYZGOQNRJSGIIT-ZMSDIMECSA-N 2 0 290.455 2.276 10 0 CEAERP COCC[N@H+](CC(C)C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182455 523678584 /nfs/dbraw/zinc/67/85/84/523678584.db2.gz QOIHWFURLQVXIL-UHFFFAOYSA-N 2 0 298.471 2.140 10 0 CEAERP C[NH+]1CCC(C[NH3+])(N2CCC3(CCCCC3)CC2)CC1 ZINC000061818842 523762065 /nfs/dbraw/zinc/76/20/65/523762065.db2.gz ZFYQSMWDWZBUCX-UHFFFAOYSA-N 2 0 279.472 2.456 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063618 523957747 /nfs/dbraw/zinc/95/77/47/523957747.db2.gz NFOHRFPTDDPPQZ-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055064763 523957777 /nfs/dbraw/zinc/95/77/77/523957777.db2.gz WFXUYHUJRKCECB-LSDHHAIUSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074111 523959040 /nfs/dbraw/zinc/95/90/40/523959040.db2.gz BBPDBUGQIPAWFJ-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@@H](CCC[NH3+])[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484221 524456615 /nfs/dbraw/zinc/45/66/15/524456615.db2.gz ILEOSCAMPZLVRG-AWEZNQCLSA-N 3 0 253.434 2.064 10 0 CEAERP C[C@@H](CCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000052418216 524456946 /nfs/dbraw/zinc/45/69/46/524456946.db2.gz MOMBHGZYPARUNO-ZDUSSCGKSA-N 2 0 265.376 2.075 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515207 524478266 /nfs/dbraw/zinc/47/82/66/524478266.db2.gz USHZTWRIUCHJCJ-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419960 524496952 /nfs/dbraw/zinc/49/69/52/524496952.db2.gz VMONYTHLOBWNPE-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000061642821 524833603 /nfs/dbraw/zinc/83/36/03/524833603.db2.gz OWPUDKQQMIRTCZ-NVXWUHKLSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000050579044 525002264 /nfs/dbraw/zinc/00/22/64/525002264.db2.gz XGFCWJVUGAQGGG-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)CC[NH+]1CCCC1 ZINC000063050912 525016062 /nfs/dbraw/zinc/01/60/62/525016062.db2.gz LBZJCJDAKSCNDC-CZUORRHYSA-N 2 0 279.403 2.242 10 0 CEAERP COc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641936 525211848 /nfs/dbraw/zinc/21/18/48/525211848.db2.gz QXXZADYBFPODKV-FRFSOERESA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN1CCC[C@@H]1C[NH+](C)C ZINC000061653557 525366860 /nfs/dbraw/zinc/36/68/60/525366860.db2.gz MSXHVXWBIBRSSZ-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc(C(N)=[NH2+])cc1 ZINC000050565075 525640168 /nfs/dbraw/zinc/64/01/68/525640168.db2.gz KCJKQDDFUUQNAK-QWHCGFSZSA-N 2 0 275.396 2.470 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068629875 525648743 /nfs/dbraw/zinc/64/87/43/525648743.db2.gz BUBKGUNDSUYVMO-VVLHAWIVSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)CC[NH2+]C1 ZINC000062892472 525810770 /nfs/dbraw/zinc/81/07/70/525810770.db2.gz BSGGESUQMCAKNQ-QGZVFWFLSA-N 2 0 287.407 2.221 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)s1 ZINC000062963984 525980384 /nfs/dbraw/zinc/98/03/84/525980384.db2.gz UDZHZXYAELWPLY-OBJOEFQTSA-N 2 0 267.442 2.081 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055146368 526246689 /nfs/dbraw/zinc/24/66/89/526246689.db2.gz YBKKMXYEGKOOQH-FHERZECASA-N 2 0 295.471 2.132 10 0 CEAERP Cc1oc(C[NH3+])cc1C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507446 526769263 /nfs/dbraw/zinc/76/92/63/526769263.db2.gz GYWKYNLULLUOIU-ZDUSSCGKSA-N 2 0 252.358 2.048 10 0 CEAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400556711 527083984 /nfs/dbraw/zinc/08/39/84/527083984.db2.gz ZHWMOOBCFCQDTM-ZOWXZIJZSA-N 2 0 275.396 2.294 10 0 CEAERP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054602190 527145943 /nfs/dbraw/zinc/14/59/43/527145943.db2.gz JPYVTYBXBIQSLM-UYTSQGDYSA-N 2 0 272.392 2.334 10 0 CEAERP [NH3+]Cc1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000061702260 527261236 /nfs/dbraw/zinc/26/12/36/527261236.db2.gz FNILCXPNZONLQO-INIZCTEOSA-N 2 0 283.375 2.194 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091431907 535169486 /nfs/dbraw/zinc/16/94/86/535169486.db2.gz UOHYJQFQYIDBKA-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC[NH+]1CCN(c2ccccn2)CC1 ZINC000088290129 535305554 /nfs/dbraw/zinc/30/55/54/535305554.db2.gz VAJCUQQYLZZUOD-MRXNPFEDSA-N 2 0 290.455 2.215 10 0 CEAERP CC(C)(C)[C@H]1C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757152425 574510848 /nfs/dbraw/zinc/51/08/48/574510848.db2.gz SGUPHJZLOJQMLA-LBPRGKRZSA-N 2 0 252.402 2.223 10 0 CEAERP C[N@H+](CCSC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000226468248 628905908 /nfs/dbraw/zinc/90/59/08/628905908.db2.gz AUUUQSRLEOTYIJ-VIFPVBQESA-N 2 0 256.337 2.313 10 0 CEAERP CC(C)(O)c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000261580881 628941742 /nfs/dbraw/zinc/94/17/42/628941742.db2.gz FSCBTABUAKHYNX-UHFFFAOYSA-N 2 0 262.397 2.274 10 0 CEAERP [NH3+]Cc1ccc(-c2noc(C[C@@H]3CCC[NH2+]CC3)n2)cc1 ZINC000262067358 629666063 /nfs/dbraw/zinc/66/60/63/629666063.db2.gz RSLNNWOZLDLOLS-GFCCVEGCSA-N 2 0 286.379 2.128 10 0 CEAERP C[NH+]1CCC(C[NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000044515832 639322307 /nfs/dbraw/zinc/32/23/07/639322307.db2.gz QFXWBHOAYRACOU-HNNXBMFYSA-N 2 0 260.381 2.442 10 0 CEAERP Nc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000306869212 344718185 /nfs/dbraw/zinc/71/81/85/344718185.db2.gz SJFVJIQFLPAAKI-AWEZNQCLSA-N 2 0 268.364 2.350 10 0 CEAERP CCOC(=O)CCC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000083923922 178764239 /nfs/dbraw/zinc/76/42/39/178764239.db2.gz SYRBZUGIUDSCMJ-CYBMUJFWSA-N 2 0 270.417 2.040 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307966 362526495 /nfs/dbraw/zinc/52/64/95/362526495.db2.gz OAGUVGSHDNSMMP-MRXNPFEDSA-N 2 0 297.487 2.203 10 0 CEAERP C[C@@H]([NH3+])C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000084390586 178878490 /nfs/dbraw/zinc/87/84/90/178878490.db2.gz RCGYHFZHVDITDV-ZIAGYGMSSA-N 2 0 253.434 2.063 10 0 CEAERP C[NH+](C)CCn1ncc(Cl)c1[C@@H]([NH3+])Cc1ccsc1 ZINC000097419200 185600743 /nfs/dbraw/zinc/60/07/43/185600743.db2.gz GTQCXGWWWBONRI-LBPRGKRZSA-N 2 0 298.843 2.402 10 0 CEAERP C[C@](CO)(CCC[NH+]1CCC(C)(C)CC1)[NH2+]C1CC1 ZINC000085212575 178976098 /nfs/dbraw/zinc/97/60/98/178976098.db2.gz JAQKZAZQQMMGOK-MRXNPFEDSA-N 2 0 268.445 2.392 10 0 CEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000085361667 179033706 /nfs/dbraw/zinc/03/37/06/179033706.db2.gz AEIRCISCYTYWGG-HOTGVXAUSA-N 2 0 287.407 2.348 10 0 CEAERP CCC[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612229 179102436 /nfs/dbraw/zinc/10/24/36/179102436.db2.gz MGRLPYHPYMDQJZ-GFCCVEGCSA-N 2 0 282.350 2.419 10 0 CEAERP CCC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000085682265 179113949 /nfs/dbraw/zinc/11/39/49/179113949.db2.gz BLMJHOWIYAYPQU-ZDUSSCGKSA-N 2 0 252.402 2.162 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000111511685 136563116 /nfs/dbraw/zinc/56/31/16/136563116.db2.gz QRNMGWLCWLTZNS-QGZVFWFLSA-N 2 0 287.451 2.498 10 0 CEAERP c1ccc([C@H]2C[NH2+]CCN2[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000086177490 179247253 /nfs/dbraw/zinc/24/72/53/179247253.db2.gz SSXISZXOKFTWMI-KZNAEPCWSA-N 2 0 285.435 2.260 10 0 CEAERP CC[C@H](C)[C@H]1CN(CCC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086153930 179241769 /nfs/dbraw/zinc/24/17/69/179241769.db2.gz WINFANTXQXDRRX-SOUVJXGZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171852 179243210 /nfs/dbraw/zinc/24/32/10/179243210.db2.gz JQFLXVCVTCLRTR-YVSFHVDLSA-N 2 0 281.488 2.283 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086146532 179239076 /nfs/dbraw/zinc/23/90/76/179239076.db2.gz BRTGOLDAYQMNII-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217796 179249307 /nfs/dbraw/zinc/24/93/07/179249307.db2.gz GHVJUFGLJZFRSG-IAGOWNOFSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227534 179254672 /nfs/dbraw/zinc/25/46/72/179254672.db2.gz GXHDLPUHTOOTLL-XIRDDKMYSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259621 179258143 /nfs/dbraw/zinc/25/81/43/179258143.db2.gz SXJTXNUDRFZLEH-ZTFGCOKTSA-N 2 0 291.483 2.466 10 0 CEAERP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261041 179260438 /nfs/dbraw/zinc/26/04/38/179260438.db2.gz FVQFTRMBCBGDCN-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086289407 179264251 /nfs/dbraw/zinc/26/42/51/179264251.db2.gz KMASDZADOMHJQV-INIZCTEOSA-N 2 0 279.472 2.469 10 0 CEAERP C[C@H](CC[NH+](C)C)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290452 179265843 /nfs/dbraw/zinc/26/58/43/179265843.db2.gz HWTMNXLRTQVQOB-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@@](C)(CC)C2)CC1 ZINC000086291511 179265932 /nfs/dbraw/zinc/26/59/32/179265932.db2.gz NKXVEQJGQYOFIS-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@](C)(C3CC3)C2)CC1 ZINC000086291528 179266531 /nfs/dbraw/zinc/26/65/31/179266531.db2.gz FLTUFDBMNMYMCH-KRWDZBQOSA-N 2 0 279.472 2.182 10 0 CEAERP C1CCC([C@H]2C[N@@H+]([C@@H]3CCCOC3)CCC[NH2+]2)CC1 ZINC000086297644 179267212 /nfs/dbraw/zinc/26/72/12/179267212.db2.gz AOJSTCXFGNVLOZ-HZPDHXFCSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1CCCNC(C)(C)C1 ZINC000086293329 179267441 /nfs/dbraw/zinc/26/74/41/179267441.db2.gz HUZNEVAQPKORTQ-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@H](COC)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086299569 179268868 /nfs/dbraw/zinc/26/88/68/179268868.db2.gz JYGSKEDWZPQRFN-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP COCC[C@H](C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086300103 179269112 /nfs/dbraw/zinc/26/91/12/179269112.db2.gz LDDZSZCNAWCYDK-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000086397615 179285309 /nfs/dbraw/zinc/28/53/09/179285309.db2.gz OCYGAOSEJBBAER-VXGBXAGGSA-N 2 0 269.186 2.419 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N(C)CCC[NH+](C)C)nc21 ZINC000086444205 179293417 /nfs/dbraw/zinc/29/34/17/179293417.db2.gz GFCFONXEZZPTJY-NSHDSACASA-N 2 0 282.457 2.128 10 0 CEAERP CCCn1c2ccc(C[NH3+])cc2nc1CC[NH+](C)C ZINC000086641339 179314970 /nfs/dbraw/zinc/31/49/70/179314970.db2.gz JBYKHXXYNOBYFV-UHFFFAOYSA-N 2 0 260.385 2.009 10 0 CEAERP C[C@H](CNC1=[NH+]C[C@@H](C)CS1)C[NH+]1CCCC1 ZINC000086633484 179315312 /nfs/dbraw/zinc/31/53/12/179315312.db2.gz CVLIEAOYZILEBT-VXGBXAGGSA-N 2 0 255.431 2.047 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](COC)C(C)C)CC1 ZINC000086696259 179320562 /nfs/dbraw/zinc/32/05/62/179320562.db2.gz GHVSVNGJBDYOKY-HIFRSBDPSA-N 2 0 256.434 2.367 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(OCCC[NH+]2CCCC2)C1 ZINC000086712304 179322975 /nfs/dbraw/zinc/32/29/75/179322975.db2.gz OMNKZEKGBDCJHJ-CABCVRRESA-N 2 0 254.418 2.397 10 0 CEAERP CCOC(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086835987 179349863 /nfs/dbraw/zinc/34/98/63/179349863.db2.gz VWUSSMCUNBKLDG-CQSZACIVSA-N 2 0 297.443 2.071 10 0 CEAERP CC[NH+](CC)CCCN[C@@H]1CCC[N@H+](CC)CC1 ZINC000086835638 179350087 /nfs/dbraw/zinc/35/00/87/179350087.db2.gz PCJXORPSKOVZTC-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837877 179351966 /nfs/dbraw/zinc/35/19/66/179351966.db2.gz MMPPJQPMWHLBTL-CYBMUJFWSA-N 2 0 262.401 2.434 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840946 179353813 /nfs/dbraw/zinc/35/38/13/179353813.db2.gz DFJOQBFREANEBY-INIZCTEOSA-N 2 0 261.413 2.477 10 0 CEAERP CCCCN(CC)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846573 179354968 /nfs/dbraw/zinc/35/49/68/179354968.db2.gz PWFVQTAWASOJSV-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCCCC2)CC1 ZINC000086846630 179355544 /nfs/dbraw/zinc/35/55/44/179355544.db2.gz XMVKMSGMJPAGJJ-MRXNPFEDSA-N 2 0 267.461 2.456 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851143 179359027 /nfs/dbraw/zinc/35/90/27/179359027.db2.gz LVMUWMFQSWDIBL-CABCVRRESA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N(C)C2CC[NH+](C)CC2)CC1 ZINC000086890431 179366263 /nfs/dbraw/zinc/36/62/63/179366263.db2.gz RTTCKBCRXJABBH-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086891017 179366333 /nfs/dbraw/zinc/36/63/33/179366333.db2.gz SPBQEWKRQNLOHT-HOCLYGCPSA-N 2 0 265.445 2.064 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016212 179380822 /nfs/dbraw/zinc/38/08/22/179380822.db2.gz XZOFHNFAQGABAJ-ZIAGYGMSSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H]1CCC[C@](O)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000087064890 179390037 /nfs/dbraw/zinc/39/00/37/179390037.db2.gz HWMFFINWOATIEN-HUUCEWRRSA-N 2 0 254.418 2.003 10 0 CEAERP C[C@H](CNC(=O)[C@H](C)CCC[C@H](C)[NH3+])C[NH+]1CCCCC1 ZINC000087697504 179472345 /nfs/dbraw/zinc/47/23/45/179472345.db2.gz HTRQSDPSXBKLCR-OAGGEKHMSA-N 2 0 297.487 2.378 10 0 CEAERP C[NH2+]C1(CC(=O)NC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000087577078 179449032 /nfs/dbraw/zinc/44/90/32/179449032.db2.gz BWQIUXOMTABDNV-UHFFFAOYSA-N 2 0 295.471 2.288 10 0 CEAERP Nc1cc[nH+]cc1C[C@@H]([NH3+])[C@H]1CCOc2ccccc21 ZINC000088019519 179536472 /nfs/dbraw/zinc/53/64/72/179536472.db2.gz MFUZUELQNIOKLG-SWLSCSKDSA-N 2 0 269.348 2.100 10 0 CEAERP COCc1ccccc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000088566100 179625959 /nfs/dbraw/zinc/62/59/59/179625959.db2.gz XPVISNQTNKKHMX-CYBMUJFWSA-N 2 0 262.397 2.392 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000104201968 185928696 /nfs/dbraw/zinc/92/86/96/185928696.db2.gz ZINKZCMUOBRXLK-ZBFHGGJFSA-N 2 0 263.429 2.267 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)ccc1F ZINC000234749842 539735401 /nfs/dbraw/zinc/73/54/01/539735401.db2.gz VAVKMPIYUWDHBZ-ZYHUDNBSSA-N 2 0 272.339 2.369 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567264 180006799 /nfs/dbraw/zinc/00/67/99/180006799.db2.gz SJYIHHKVLPGNBV-ZBFHGGJFSA-N 2 0 266.429 2.027 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693623 180026404 /nfs/dbraw/zinc/02/64/04/180026404.db2.gz JRYMASDUPVIEKG-CHWSQXEVSA-N 2 0 294.361 2.419 10 0 CEAERP Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892241 180053802 /nfs/dbraw/zinc/05/38/02/180053802.db2.gz KCSIYWBTHYBXOO-MLGOLLRUSA-N 2 0 290.382 2.203 10 0 CEAERP CC(C)[NH2+]CC1(CN2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000090907462 180060702 /nfs/dbraw/zinc/06/07/02/180060702.db2.gz ZHNUVRXLINLLNF-GASCZTMLSA-N 2 0 266.429 2.408 10 0 CEAERP CC1CCC([C@@H](C[NH3+])N2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000090905844 180061347 /nfs/dbraw/zinc/06/13/47/180061347.db2.gz YRUYHZSLKYJHIQ-IPOFZDNWSA-N 2 0 252.402 2.003 10 0 CEAERP C[C@@H]([NH3+])c1nc(CN2CC[NH+](C3CCCC3)CC2)cs1 ZINC000090958524 180074935 /nfs/dbraw/zinc/07/49/35/180074935.db2.gz PKWUVVJSDBVCES-GFCCVEGCSA-N 2 0 294.468 2.223 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958345 180075024 /nfs/dbraw/zinc/07/50/24/180075024.db2.gz PCSRZHGREQRRIR-NSHDSACASA-N 2 0 282.457 2.079 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090976048 180079131 /nfs/dbraw/zinc/07/91/31/180079131.db2.gz AXYDWAVCCGOMTD-IRXDYDNUSA-N 2 0 287.451 2.071 10 0 CEAERP c1ncn(C2CC2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000091277043 180120180 /nfs/dbraw/zinc/12/01/80/180120180.db2.gz WIWCDUQAYHXGGF-INIZCTEOSA-N 2 0 274.412 2.182 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N3CCC[C@H]([NH+](C)C)C3)nc21 ZINC000091429148 180153089 /nfs/dbraw/zinc/15/30/89/180153089.db2.gz XLFGOVQAWMZMQZ-NWDGAFQWSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC[NH2+]CC2CCCCC2)C1 ZINC000091432390 180153389 /nfs/dbraw/zinc/15/33/89/180153389.db2.gz YIAUUMYPAVLRDP-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N3CCC[C@H]([NH+](C)C)C3)sc21 ZINC000091449301 180157239 /nfs/dbraw/zinc/15/72/39/180157239.db2.gz ATCUJFKNRZCCNA-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392035 180144874 /nfs/dbraw/zinc/14/48/74/180144874.db2.gz USJRZZVNAUPWKU-CGTJXYLNSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2cccc(Cl)c2)C1 ZINC000091391692 180145080 /nfs/dbraw/zinc/14/50/80/180145080.db2.gz WYDHGQDLZVIAMY-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393371 180145591 /nfs/dbraw/zinc/14/55/91/180145591.db2.gz ICAKFFOYFRTLKB-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]([NH3+])C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000091403174 180147289 /nfs/dbraw/zinc/14/72/89/180147289.db2.gz QFRJSTHRCSTDQN-CQSZACIVSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C2CC2)CC1 ZINC000091404436 180147330 /nfs/dbraw/zinc/14/73/30/180147330.db2.gz GSFKOMUQWYIDDE-AWEZNQCLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC(N(C)CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091403874 180147566 /nfs/dbraw/zinc/14/75/66/180147566.db2.gz YTXKMMRMQSCYGL-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)C[N@H+](CCO)C1CCCCC1 ZINC000091403845 180147589 /nfs/dbraw/zinc/14/75/89/180147589.db2.gz YFZINGGHMLPKJA-CYBMUJFWSA-N 2 0 256.434 2.248 10 0 CEAERP C[NH+](C)C1([C@H](O)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091653850 180217450 /nfs/dbraw/zinc/21/74/50/180217450.db2.gz YGSMZMLPCHFSJL-OAHLLOKOSA-N 2 0 277.412 2.222 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1ccccc1OC ZINC000091715949 180232452 /nfs/dbraw/zinc/23/24/52/180232452.db2.gz UTWUNGTYTIHRFV-CQSZACIVSA-N 2 0 250.386 2.297 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cnn(C)c1 ZINC000091716798 180232702 /nfs/dbraw/zinc/23/27/02/180232702.db2.gz PMMOKKUSCUSPEN-HNNXBMFYSA-N 2 0 266.433 2.063 10 0 CEAERP CC[NH+](CC)CC[C@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000091716051 180232865 /nfs/dbraw/zinc/23/28/65/180232865.db2.gz SJIZRNGZGUBAMX-GFCCVEGCSA-N 2 0 286.851 2.244 10 0 CEAERP CC[NH2+]Cc1sc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091723130 180241703 /nfs/dbraw/zinc/24/17/03/180241703.db2.gz PVILBYSFMCZIRY-VXGBXAGGSA-N 2 0 281.425 2.097 10 0 CEAERP CCC[N@H+](CC(=O)N1CCCCCC1)C1CCC([NH3+])CC1 ZINC000091852271 180272756 /nfs/dbraw/zinc/27/27/56/180272756.db2.gz NJVATEUPCNHAKF-UHFFFAOYSA-N 2 0 295.471 2.371 10 0 CEAERP CCC[N@H+](CC(=O)N1CCC[C@H](C)C1)C1CCC([NH3+])CC1 ZINC000091852456 180272888 /nfs/dbraw/zinc/27/28/88/180272888.db2.gz ZTTVMFNVLZKBEQ-FHERZECASA-N 2 0 295.471 2.227 10 0 CEAERP CCCCNC(=O)[C@@H](C)[N@H+](CCC)C1CCC([NH3+])CC1 ZINC000091852525 180272975 /nfs/dbraw/zinc/27/29/75/180272975.db2.gz WHMSFHCFGQSDCB-WLYUNCDWSA-N 2 0 283.460 2.273 10 0 CEAERP C[N@H+](Cc1cn2ccccc2n1)C1CCC([NH3+])CC1 ZINC000091843985 180269148 /nfs/dbraw/zinc/26/91/48/180269148.db2.gz MHSGOKGJUITIKQ-UHFFFAOYSA-N 2 0 258.369 2.036 10 0 CEAERP CC[C@H]1C[C@H]([N@H+](C)C2CCC([NH2+]C)CC2)CCO1 ZINC000091871213 180276985 /nfs/dbraw/zinc/27/69/85/180276985.db2.gz YBAPTFZJTLQDPF-CVSAEHQPSA-N 2 0 254.418 2.406 10 0 CEAERP CCn1cc([C@H](C)[N@H+](C)C2CCC([NH2+]C)CC2)cn1 ZINC000091871094 180277249 /nfs/dbraw/zinc/27/72/49/180277249.db2.gz ZKZKEMJJXSRVJB-GRTSSRMGSA-N 2 0 264.417 2.426 10 0 CEAERP CCn1nc(C)cc1C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870696 180277543 /nfs/dbraw/zinc/27/75/43/180277543.db2.gz CSNSMHPNBBVYQZ-UHFFFAOYSA-N 2 0 264.417 2.174 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@H](O)COC(C)C)CC1 ZINC000091870054 180277568 /nfs/dbraw/zinc/27/75/68/180277568.db2.gz SRLYOFGENIWCTO-GPANFISMSA-N 2 0 286.460 2.015 10 0 CEAERP CC(C)C1CCC(C[NH3+])(C2(O)CC[NH+](C)CC2)CC1 ZINC000091906255 180284326 /nfs/dbraw/zinc/28/43/26/180284326.db2.gz QNUQMHGAOPJKSF-UHFFFAOYSA-N 2 0 268.445 2.234 10 0 CEAERP C[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091922356 180286648 /nfs/dbraw/zinc/28/66/48/180286648.db2.gz NQIJZVIIGJEZOQ-INIZCTEOSA-N 2 0 268.445 2.379 10 0 CEAERP CCC[NH2+]Cc1nc(C)ccc1OCC[NH+]1CCCC1 ZINC000091995185 180302216 /nfs/dbraw/zinc/30/22/16/180302216.db2.gz WRAPWNUZMLHRMM-UHFFFAOYSA-N 2 0 277.412 2.364 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000092003294 180304202 /nfs/dbraw/zinc/30/42/02/180304202.db2.gz ZPCSOMHXKZOWCL-CVEARBPZSA-N 2 0 288.439 2.253 10 0 CEAERP C[C@@H](C[N@H+](C)C[C@@H]1CSc2ccccc21)C(N)=[NH2+] ZINC000092288225 180357883 /nfs/dbraw/zinc/35/78/83/180357883.db2.gz MUQALRVYPBDTAX-WDEREUQCSA-N 2 0 263.410 2.380 10 0 CEAERP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300441 180358717 /nfs/dbraw/zinc/35/87/17/180358717.db2.gz IFNOLZONIXLSMA-ZIAGYGMSSA-N 2 0 260.381 2.094 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092302683 180359187 /nfs/dbraw/zinc/35/91/87/180359187.db2.gz GWHGZDMQEQDDJO-OAHLLOKOSA-N 2 0 274.408 2.484 10 0 CEAERP CC[NH2+][C@@H](Cc1nc(CC[NH+](CC)CC)no1)C(C)C ZINC000109496201 186256353 /nfs/dbraw/zinc/25/63/53/186256353.db2.gz KMKQMWMXKMBERV-ZDUSSCGKSA-N 2 0 282.432 2.131 10 0 CEAERP CC(C)c1ccc(C[NH+]2CCN([C@H](C)C[NH3+])CC2)cc1 ZINC000109459314 186253590 /nfs/dbraw/zinc/25/35/90/186253590.db2.gz GGTXANJHUAGYKS-OAHLLOKOSA-N 2 0 275.440 2.275 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC2([NH3+])CCCCC2)C1 ZINC000110370691 186294691 /nfs/dbraw/zinc/29/46/91/186294691.db2.gz GOFULFWIKMMWNQ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP C[N@@H+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1(C)C ZINC000110706357 186314538 /nfs/dbraw/zinc/31/45/38/186314538.db2.gz XMVNBSJDQZCCIU-HNNXBMFYSA-N 2 0 261.413 2.103 10 0 CEAERP CC[NH2+][C@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110716875 186315427 /nfs/dbraw/zinc/31/54/27/186315427.db2.gz DBTWQDZYGXFPKY-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717140 186315697 /nfs/dbraw/zinc/31/56/97/186315697.db2.gz IMFONBICKLPSAG-ZBFHGGJFSA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110717067 186316286 /nfs/dbraw/zinc/31/62/86/186316286.db2.gz CKJCTASMAQRUQQ-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110717090 186316673 /nfs/dbraw/zinc/31/66/73/186316673.db2.gz UZVGRIGUUHJOEY-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1C ZINC000110716731 186316688 /nfs/dbraw/zinc/31/66/88/186316688.db2.gz YHJSDGTWLLLOBG-MRXNPFEDSA-N 2 0 275.440 2.282 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C)C[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756570 186322072 /nfs/dbraw/zinc/32/20/72/186322072.db2.gz WYGQCYVYJOIDPI-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)sc1C[NH2+]C1CC1 ZINC000110760376 186322988 /nfs/dbraw/zinc/32/29/88/186322988.db2.gz QKTPBOFYGYDQBQ-UHFFFAOYSA-N 2 0 294.468 2.234 10 0 CEAERP CC(C)C[NH2+]Cc1occc1CN(C)CC[NH+](C)C ZINC000111149618 186360420 /nfs/dbraw/zinc/36/04/20/186360420.db2.gz GEJJPCWXPMBNGN-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP CCc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]CC(C)C ZINC000111151827 186360813 /nfs/dbraw/zinc/36/08/13/186360813.db2.gz SVNZQGFBOJJUCC-UHFFFAOYSA-N 2 0 298.500 2.449 10 0 CEAERP CN(CCC[NH+](C)C)Cc1oc2ccccc2c1C[NH3+] ZINC000111150296 186361151 /nfs/dbraw/zinc/36/11/51/186361151.db2.gz PKOCSWQMBPOTSR-UHFFFAOYSA-N 2 0 275.396 2.275 10 0 CEAERP C[N@H+](CC1CCOCC1)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000111157520 186362636 /nfs/dbraw/zinc/36/26/36/186362636.db2.gz RDQVWDCELNBXDC-HUUCEWRRSA-N 2 0 254.418 2.252 10 0 CEAERP CCOCC[N@H+](CC)Cc1cc(C[NH2+]C)oc1C ZINC000111124110 186355343 /nfs/dbraw/zinc/35/53/43/186355343.db2.gz RJRBIJZKNKTICL-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+][C@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138431 186356975 /nfs/dbraw/zinc/35/69/75/186356975.db2.gz TZYOGBJVDYYPPL-GFCCVEGCSA-N 2 0 267.392 2.494 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135162 186357169 /nfs/dbraw/zinc/35/71/69/186357169.db2.gz RHFLEELXYFENHQ-OAGGEKHMSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(OCC)cc1 ZINC000111135291 186357272 /nfs/dbraw/zinc/35/72/72/186357272.db2.gz OVXGPWYFIXYMPU-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP CCOc1ccc([C@H](CN(C)CCC[NH+](C)C)[NH2+]C)cc1 ZINC000111136506 186357438 /nfs/dbraw/zinc/35/74/38/186357438.db2.gz HRHSAQDGKVCPMZ-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111134489 186357527 /nfs/dbraw/zinc/35/75/27/186357527.db2.gz DBBGDICCOIKUMX-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN(C)CCC[NH+](C)C)cc1C ZINC000111136402 186357848 /nfs/dbraw/zinc/35/78/48/186357848.db2.gz SRAOCVNZNQHEQU-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP CC[NH2+][C@@H](C)c1c(F)cccc1N(C)CC[NH+](C)C ZINC000111138428 186358004 /nfs/dbraw/zinc/35/80/04/186358004.db2.gz TZYOGBJVDYYPPL-LBPRGKRZSA-N 2 0 267.392 2.494 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111148251 186359294 /nfs/dbraw/zinc/35/92/94/186359294.db2.gz BJXRXSSJDYVNLV-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111147738 186359474 /nfs/dbraw/zinc/35/94/74/186359474.db2.gz BUHBGRQQPLTAOM-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)CCC[NH+](C)C ZINC000111150208 186360254 /nfs/dbraw/zinc/36/02/54/186360254.db2.gz ILTJHXDYUZOGRW-OAHLLOKOSA-N 3 0 257.466 2.284 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N(C)CC1CCOCC1 ZINC000111175474 186364847 /nfs/dbraw/zinc/36/48/47/186364847.db2.gz JMWUMXPFDDVDAU-HNNXBMFYSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326080 186398282 /nfs/dbraw/zinc/39/82/82/186398282.db2.gz LSSHTCYQQCGZAC-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)C[C@@H]2CCCO2)CCCOC1 ZINC000111327148 186398498 /nfs/dbraw/zinc/39/84/98/186398498.db2.gz GEUDSXYFFLOFEZ-DLBZAZTESA-N 2 0 298.471 2.140 10 0 CEAERP CCCC1CC[NH+](C[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000111326013 186398829 /nfs/dbraw/zinc/39/88/29/186398829.db2.gz UNMSNBJMNZCOQW-HNNXBMFYSA-N 2 0 254.418 2.254 10 0 CEAERP Cc1cc(NCC[C@@H]([NH3+])Cc2ccccc2)cc[nH+]1 ZINC000630550962 351781409 /nfs/dbraw/zinc/78/14/09/351781409.db2.gz NZSLEELMGWVVBN-OAHLLOKOSA-N 2 0 255.365 2.184 10 0 CEAERP COc1ccc(Br)c([C@@H]([NH3+])CCC[NH3+])c1 ZINC000575440169 366287586 /nfs/dbraw/zinc/28/75/86/366287586.db2.gz MCNTZFBGCXWIPS-NSHDSACASA-N 2 0 273.174 2.196 10 0 CEAERP CCC(CC)[C@@H](C[NH2+]C1CCC([NH3+])CC1)N(C)C ZINC000094075613 364251182 /nfs/dbraw/zinc/25/11/82/364251182.db2.gz KQDQGMYNDWBYHL-YMAMQOFZSA-N 2 0 255.450 2.212 10 0 CEAERP Cc1ccccc1[C@@]1(O)CC[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244701010 370796350 /nfs/dbraw/zinc/79/63/50/370796350.db2.gz JYGUUWUKSVSUEJ-SOLBZPMBSA-N 2 0 288.435 2.406 10 0 CEAERP c1ccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCO3)C2)nc1 ZINC000189367327 369505527 /nfs/dbraw/zinc/50/55/27/369505527.db2.gz MOZRBIJPLIFISN-GJZGRUSLSA-N 2 0 275.396 2.385 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CC[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000262009337 371797592 /nfs/dbraw/zinc/79/75/92/371797592.db2.gz UXWYUTGGWBBJCW-OIISXLGYSA-N 2 0 274.408 2.087 10 0 CEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262536222 371873963 /nfs/dbraw/zinc/87/39/63/371873963.db2.gz BEMJIPQAHJSVCG-BZUAXINKSA-N 2 0 289.423 2.053 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC1 ZINC000268889926 372274766 /nfs/dbraw/zinc/27/47/66/372274766.db2.gz ABEFMKGWYKJISY-HYVNUMGLSA-N 2 0 274.408 2.276 10 0 CEAERP Cc1scc(CNC[C@@H](O)C[NH+]2CCCCC2)c1C ZINC000399951211 375371308 /nfs/dbraw/zinc/37/13/08/375371308.db2.gz ZTXWTRQXNRYCBH-OAHLLOKOSA-N 2 0 282.453 2.301 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055086698 284608096 /nfs/dbraw/zinc/60/80/96/284608096.db2.gz IMTRCMGHLIQANY-KKUMJFAQSA-N 2 0 283.460 2.131 10 0 CEAERP COc1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564824042 377465501 /nfs/dbraw/zinc/46/55/01/377465501.db2.gz RHQIGCUBWHCDRX-UONOGXRCSA-N 2 0 278.396 2.052 10 0 CEAERP CC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCC(C)(C)CC1 ZINC000093593305 184693499 /nfs/dbraw/zinc/69/34/99/184693499.db2.gz WWFOYRNEBHHDCV-WMLDXEAASA-N 2 0 295.471 2.132 10 0 CEAERP [NH3+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCCCCCC1 ZINC000093615789 184695799 /nfs/dbraw/zinc/69/57/99/184695799.db2.gz OXJMLQUSUQSAPP-CABCVRRESA-N 2 0 254.418 2.133 10 0 CEAERP [NH3+]C[C@@]1(O)CCC[C@@H]1CC[NH+]1CCCCCCC1 ZINC000093627040 184698210 /nfs/dbraw/zinc/69/82/10/184698210.db2.gz JWWBZSRUGFUFSZ-CABCVRRESA-N 2 0 254.418 2.133 10 0 CEAERP Cc1ccc(C)c([C@@H](C[NH3+])N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094438744 184798942 /nfs/dbraw/zinc/79/89/42/184798942.db2.gz SWWDQKMDGUOKHS-SJLPKXTDSA-N 2 0 287.451 2.473 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[N@@H+](C)CC1CC[NH2+]CC1)O2 ZINC000094024474 184751134 /nfs/dbraw/zinc/75/11/34/184751134.db2.gz FTJZKVGCXWWKTH-INIZCTEOSA-N 2 0 274.408 2.230 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000094758876 184854998 /nfs/dbraw/zinc/85/49/98/184854998.db2.gz VWCNOAZRWRKFAP-QGZVFWFLSA-N 2 0 290.455 2.106 10 0 CEAERP C[NH2+][C@H](C)c1ccnc(OC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000095002105 184913529 /nfs/dbraw/zinc/91/35/29/184913529.db2.gz UOTXMSWCGSTMKR-OCCSQVGLSA-N 2 0 263.385 2.225 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)[C@@]2(C)CCCC[NH2+]2)([NH+](C)C)C1 ZINC000227696618 296455089 /nfs/dbraw/zinc/45/50/89/296455089.db2.gz OCDSOJSSSXACRG-DJIMGWMZSA-N 2 0 295.471 2.145 10 0 CEAERP [NH3+]C1(CC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000084187935 135031720 /nfs/dbraw/zinc/03/17/20/135031720.db2.gz KOCSOLHMAVBSMZ-UHFFFAOYSA-N 2 0 273.424 2.470 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2nc(C[NH3+])cc3ccccc32)C1 ZINC000091430828 135069976 /nfs/dbraw/zinc/06/99/76/135069976.db2.gz ZIVRAZLWINJAPE-HNNXBMFYSA-N 2 0 284.407 2.224 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091449191 135070538 /nfs/dbraw/zinc/07/05/38/135070538.db2.gz WTTBAPFKOBDWPY-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545237 135071668 /nfs/dbraw/zinc/07/16/68/135071668.db2.gz AZNFSSIDXRMIQX-ZFWWWQNUSA-N 2 0 277.387 2.075 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208948 135076092 /nfs/dbraw/zinc/07/60/92/135076092.db2.gz NKBXZUWZFNLXHU-KGLIPLIRSA-N 2 0 291.826 2.365 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3C=C[C@@H]([NH3+])C3)CC2)c1C ZINC000092208954 135076288 /nfs/dbraw/zinc/07/62/88/135076288.db2.gz LQQSPNNLLYJKKY-IAGOWNOFSA-N 2 0 285.435 2.329 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408910 135080923 /nfs/dbraw/zinc/08/09/23/135080923.db2.gz QPPXVQYOJVVUNI-NSHDSACASA-N 2 0 278.375 2.030 10 0 CEAERP COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261794318 394607468 /nfs/dbraw/zinc/60/74/68/394607468.db2.gz GIQADEPUMOIGKV-AWEZNQCLSA-N 2 0 274.408 2.095 10 0 CEAERP C[C@@H]1C[N@@H+]([C@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434052 395181997 /nfs/dbraw/zinc/18/19/97/395181997.db2.gz MPNZLIDQMXPDCO-IVMMDQJWSA-N 2 0 259.397 2.376 10 0 CEAERP O[C@H]1CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000383358410 395186501 /nfs/dbraw/zinc/18/65/01/395186501.db2.gz DGMRTFVEGUSYAA-WBVHZDCISA-N 2 0 280.456 2.488 10 0 CEAERP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000194263443 395430732 /nfs/dbraw/zinc/43/07/32/395430732.db2.gz NRBWRVZUXADSBF-RDJZCZTQSA-N 2 0 276.424 2.227 10 0 CEAERP C[C@@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000574069936 395626002 /nfs/dbraw/zinc/62/60/02/395626002.db2.gz DQJRKSAIJYVTKS-UKRRQHHQSA-N 2 0 254.418 2.171 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)C2CCC([NH3+])CC2)c1 ZINC000037628013 400118024 /nfs/dbraw/zinc/11/80/24/400118024.db2.gz GZIJJXKUTCFCML-UHFFFAOYSA-N 2 0 275.396 2.204 10 0 CEAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000195178377 153276404 /nfs/dbraw/zinc/27/64/04/153276404.db2.gz LXDMCDGOSQYJHO-DLBZAZTESA-N 2 0 298.471 2.114 10 0 CEAERP COCC[NH2+]CCNc1cc(C)[nH+]c2ccccc12 ZINC000215502996 153293707 /nfs/dbraw/zinc/29/37/07/153293707.db2.gz NZSDKPKMOVRLFJ-UHFFFAOYSA-N 2 0 259.353 2.191 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C[C@@H](c2ccccc2)C1 ZINC000263314932 154054629 /nfs/dbraw/zinc/05/46/29/154054629.db2.gz ZIOGZXDSOPPPCL-PEJOBZMASA-N 2 0 288.435 2.129 10 0 CEAERP COc1cc(CC[NH3+])cc(Cl)c1OCC[NH+]1CCCC1 ZINC000011951138 170460922 /nfs/dbraw/zinc/46/09/22/170460922.db2.gz MXWYHQIUKGANBX-UHFFFAOYSA-N 2 0 298.814 2.324 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1 ZINC000020179614 171044412 /nfs/dbraw/zinc/04/44/12/171044412.db2.gz DEDDXMNTNGLNBH-HNNXBMFYSA-N 2 0 281.831 2.367 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000020179447 171044483 /nfs/dbraw/zinc/04/44/83/171044483.db2.gz YJKNOVJNHPKCSK-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(Cl)c2)CC1 ZINC000020179636 171044589 /nfs/dbraw/zinc/04/45/89/171044589.db2.gz PPMIXQCQEOUWRM-OAHLLOKOSA-N 2 0 281.831 2.367 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000020260529 171116753 /nfs/dbraw/zinc/11/67/53/171116753.db2.gz LFZWFZJYTMTLHW-GDBMZVCRSA-N 2 0 261.413 2.021 10 0 CEAERP CCCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020316011 171146081 /nfs/dbraw/zinc/14/60/81/171146081.db2.gz FQOYMIIAGMGLER-KGLIPLIRSA-N 2 0 271.449 2.001 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000020315985 171146182 /nfs/dbraw/zinc/14/61/82/171146182.db2.gz SXUJFCDQJPAQIL-HUUCEWRRSA-N 2 0 285.476 2.247 10 0 CEAERP CSc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000020362583 171161869 /nfs/dbraw/zinc/16/18/69/171161869.db2.gz ILPZGFGOJFRRMI-MRXNPFEDSA-N 2 0 293.480 2.434 10 0 CEAERP CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365668 171164433 /nfs/dbraw/zinc/16/44/33/171164433.db2.gz OYKMCASZGZDPPA-HUUCEWRRSA-N 2 0 285.476 2.391 10 0 CEAERP Cc1ccc(C)c(OC[C@@H](CC[NH3+])[NH+](C)C)c1C ZINC000020401591 171181748 /nfs/dbraw/zinc/18/17/48/171181748.db2.gz MYQPJASLMRRLNR-CQSZACIVSA-N 2 0 250.386 2.270 10 0 CEAERP Cc1cccc(OC[C@H](CC[NH3+])[NH+]2CCCC2)c1C ZINC000020402081 171182683 /nfs/dbraw/zinc/18/26/83/171182683.db2.gz IFDOFUYIZYQGDW-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP CC[NH+](CC)CCOc1c(C)cc(C[NH3+])cc1C ZINC000020470768 171213058 /nfs/dbraw/zinc/21/30/58/171213058.db2.gz JZXVUJBXJVHCJV-UHFFFAOYSA-N 2 0 250.386 2.483 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)CC1 ZINC000022155317 171361805 /nfs/dbraw/zinc/36/18/05/171361805.db2.gz HHUCCTTVLCHESB-ZDUSSCGKSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022177756 171371375 /nfs/dbraw/zinc/37/13/75/171371375.db2.gz LVGXMPFMIBADEW-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP C[N@H+](C[C@H](C[NH3+])c1ccccc1)[C@@H]1CCSC1 ZINC000035731478 172381221 /nfs/dbraw/zinc/38/12/21/172381221.db2.gz JISJBMFNFSLKLD-UONOGXRCSA-N 2 0 250.411 2.166 10 0 CEAERP C[C@H]1CCC[N@H+](CCOc2ccc(CC[NH3+])cc2)C1 ZINC000037049857 172917188 /nfs/dbraw/zinc/91/71/88/172917188.db2.gz XBJDIYRMCKQPAX-AWEZNQCLSA-N 2 0 262.397 2.299 10 0 CEAERP CC[NH+](CC)CCN[C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000037209806 173031237 /nfs/dbraw/zinc/03/12/37/173031237.db2.gz SOMSMUVYAVPKIB-CABCVRRESA-N 2 0 255.450 2.038 10 0 CEAERP CCN(CC)CC[NH2+][C@H](C)C1CC[NH+](CC)CC1 ZINC000037209800 173032199 /nfs/dbraw/zinc/03/21/99/173032199.db2.gz RJCYOSNGYOPAGR-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)NCC(C)(C)[NH+](C)C)C1 ZINC000037220647 173039067 /nfs/dbraw/zinc/03/90/67/173039067.db2.gz KHXZLXPDXNZXOP-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)COCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037221366 173040023 /nfs/dbraw/zinc/04/00/23/173040023.db2.gz IXFAWWLAIWCWDW-CABCVRRESA-N 2 0 256.434 2.369 10 0 CEAERP CCCC1CCC(C[NH3+])(N2CC[NH+](CC)CC2)CC1 ZINC000037489508 173231230 /nfs/dbraw/zinc/23/12/30/173231230.db2.gz BLAQGHJJWSEPFV-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP C[NH+](C)CCCn1c2cc(Cl)ccc2nc1CC[NH3+] ZINC000040404411 174253608 /nfs/dbraw/zinc/25/36/08/174253608.db2.gz PNIYGXPPQBQFHS-UHFFFAOYSA-N 2 0 280.803 2.143 10 0 CEAERP C[NH2+]C[C@H]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000040593247 174347644 /nfs/dbraw/zinc/34/76/44/174347644.db2.gz AHYGJVYECRLXFY-QZTJIDSGSA-N 2 0 287.451 2.192 10 0 CEAERP CC[N@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748448 174393310 /nfs/dbraw/zinc/39/33/10/174393310.db2.gz XEJHMCJRXZNOSN-XYPWUTKMSA-N 2 0 259.397 2.229 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000050953916 414747939 /nfs/dbraw/zinc/74/79/39/414747939.db2.gz IEFXGTQNGPUAPD-CVEARBPZSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000042308594 174681104 /nfs/dbraw/zinc/68/11/04/174681104.db2.gz PRSNQVVHHJBYDO-GFCCVEGCSA-N 2 0 267.442 2.164 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC(C[NH+](C)C)CC1 ZINC000042972797 174935836 /nfs/dbraw/zinc/93/58/36/174935836.db2.gz JLMWRSFAKUEITR-GUYCJALGSA-N 2 0 293.430 2.488 10 0 CEAERP COc1cccc([C@H]([C@H](C)[NH3+])N2CCC([NH+](C)C)CC2)c1 ZINC000043026993 174946489 /nfs/dbraw/zinc/94/64/89/174946489.db2.gz SKGNWYSFVVDVAO-GUYCJALGSA-N 2 0 291.439 2.110 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000043336248 175012101 /nfs/dbraw/zinc/01/21/01/175012101.db2.gz GFWFPFLLBUJBJO-DOMZBBRYSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354415 175021665 /nfs/dbraw/zinc/02/16/65/175021665.db2.gz QNRYHBPCKKVHHQ-IRXDYDNUSA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccncc1)N1CCC(C[NH+](C)C)CC1 ZINC000043354414 175021837 /nfs/dbraw/zinc/02/18/37/175021837.db2.gz QNRYHBPCKKVHHQ-IAGOWNOFSA-N 2 0 290.455 2.134 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC(C[NH+](C)C)CC2)o1 ZINC000043364990 175026296 /nfs/dbraw/zinc/02/62/96/175026296.db2.gz XNOZTNDECAAUNH-CZUORRHYSA-N 2 0 279.428 2.250 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1c(C)cc(C)cc1C ZINC000043810513 175109584 /nfs/dbraw/zinc/10/95/84/175109584.db2.gz AKEKXIBKKBMOAI-INIZCTEOSA-N 2 0 275.440 2.120 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810491 175109701 /nfs/dbraw/zinc/10/97/01/175109701.db2.gz PWUPRWSOBGOQAO-IRXDYDNUSA-N 2 0 275.440 2.219 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810974 175110469 /nfs/dbraw/zinc/11/04/69/175110469.db2.gz VAVNTMFCEHGCRW-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896876 175119563 /nfs/dbraw/zinc/11/95/63/175119563.db2.gz OMYFSVLEMPZRJL-DOTOQJQBSA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000043897399 175119849 /nfs/dbraw/zinc/11/98/49/175119849.db2.gz VCDKCBMSMNNYID-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043896970 175120148 /nfs/dbraw/zinc/12/01/48/175120148.db2.gz VLKIPPZMEYDFIH-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897101 175120203 /nfs/dbraw/zinc/12/02/03/175120203.db2.gz BUPOFDHILCMXER-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965621 175127349 /nfs/dbraw/zinc/12/73/49/175127349.db2.gz QKWZJMPWZXSHNJ-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967692 175128844 /nfs/dbraw/zinc/12/88/44/175128844.db2.gz NDJQJFWLALGBQT-SJORKVTESA-N 2 0 279.472 2.467 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+](C)CC(C)(C)C ZINC000045068614 175300601 /nfs/dbraw/zinc/30/06/01/175300601.db2.gz HKJFRMVZOQQOMN-LBPRGKRZSA-N 2 0 277.412 2.450 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@@H+]1CCCC[C@@H]1C)C(N)=O ZINC000045376089 175366253 /nfs/dbraw/zinc/36/62/53/175366253.db2.gz YTPHYERTANZQPR-HOCLYGCPSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379743 175369290 /nfs/dbraw/zinc/36/92/90/175369290.db2.gz DKTOJYOQXFPMLA-LZWOXQAQSA-N 2 0 283.460 2.273 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)CC)C(N)=O ZINC000045381313 175370183 /nfs/dbraw/zinc/37/01/83/175370183.db2.gz NCDSJSYXQRVXCO-DZGCQCFKSA-N 2 0 271.449 2.131 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)CC(C)C ZINC000045381786 175370327 /nfs/dbraw/zinc/37/03/27/175370327.db2.gz DHFMRZSNOBMVME-AWEZNQCLSA-N 2 0 258.406 2.025 10 0 CEAERP CCC[N@H+](CCC[C@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385968 175372191 /nfs/dbraw/zinc/37/21/91/175372191.db2.gz FONZBPXEFGHTDN-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP C[C@@H]1CCC[C@H]([N@@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147418 176043074 /nfs/dbraw/zinc/04/30/74/176043074.db2.gz MALFUXHMXQYHQQ-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+]([C@@H]2CCC[C@@H](CC)C2)CC1 ZINC000071147681 176043387 /nfs/dbraw/zinc/04/33/87/176043387.db2.gz QELGMTKIIHPWHL-OWCLPIDISA-N 2 0 267.461 2.310 10 0 CEAERP C[N@@H+](Cc1ccc(Cl)c(N)c1)C[C@H]1CC[NH+](C)C1 ZINC000071187768 176061410 /nfs/dbraw/zinc/06/14/10/176061410.db2.gz KXPKTRJAFRQDTH-LBPRGKRZSA-N 2 0 267.804 2.306 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1C ZINC000071188430 176063126 /nfs/dbraw/zinc/06/31/26/176063126.db2.gz MWLUYAKDNBMNMY-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188684 176063733 /nfs/dbraw/zinc/06/37/33/176063733.db2.gz QMWPGRRIVZPOFM-HYVNUMGLSA-N 2 0 275.440 2.349 10 0 CEAERP C[NH2+][C@H](C)c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189411 176064589 /nfs/dbraw/zinc/06/45/89/176064589.db2.gz ASKQZJFWKYOIFH-CHWSQXEVSA-N 2 0 279.403 2.494 10 0 CEAERP CCC(CC)(C[NH2+]C1CC1)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191445 176070302 /nfs/dbraw/zinc/07/03/02/176070302.db2.gz KTUVWURFDOGBNH-HNNXBMFYSA-N 2 0 281.488 2.428 10 0 CEAERP C[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191450 176070344 /nfs/dbraw/zinc/07/03/44/176070344.db2.gz PTXGVNJBEALEPL-OAHLLOKOSA-N 2 0 267.461 2.040 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191395 176070827 /nfs/dbraw/zinc/07/08/27/176070827.db2.gz JBMZUBNTWXKQOX-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000071192012 176071303 /nfs/dbraw/zinc/07/13/03/176071303.db2.gz JQXBTXHAGYLAGG-CYBMUJFWSA-N 2 0 296.484 2.026 10 0 CEAERP Cc1ccccc1NCC[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071192361 176073234 /nfs/dbraw/zinc/07/32/34/176073234.db2.gz WMAQCDQDBCDAGL-HNNXBMFYSA-N 2 0 261.413 2.290 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192096 176073473 /nfs/dbraw/zinc/07/34/73/176073473.db2.gz GIPKEJGBDNNJDM-WBVHZDCISA-N 2 0 275.440 2.221 10 0 CEAERP Cc1ccc(NCC[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071192434 176073668 /nfs/dbraw/zinc/07/36/68/176073668.db2.gz FSMWQPRLAIRZOA-OAHLLOKOSA-N 2 0 261.413 2.290 10 0 CEAERP CC[NH+](CC)C[C@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200869 176077596 /nfs/dbraw/zinc/07/75/96/176077596.db2.gz FGTBBJGLDFFWCI-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP COCCN(CCC(N)=[NH2+])c1cc(C)[nH+]c2ccccc21 ZINC000071229374 176091006 /nfs/dbraw/zinc/09/10/06/176091006.db2.gz VQZORIMTAHUODT-UHFFFAOYSA-N 2 0 286.379 2.322 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000071289078 176110264 /nfs/dbraw/zinc/11/02/64/176110264.db2.gz YSQMZGDFWYNFEI-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CC(C)(C)C[NH+](C)C ZINC000071292900 176111066 /nfs/dbraw/zinc/11/10/66/176111066.db2.gz ATZZMLCFCLGOJU-UHFFFAOYSA-N 2 0 272.433 2.287 10 0 CEAERP C[C@@H](CNC1=[NH+]C[C@@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308129 176116114 /nfs/dbraw/zinc/11/61/14/176116114.db2.gz MUBWGCPTFVTNJV-AAEUAGOBSA-N 2 0 267.442 2.189 10 0 CEAERP C[C@H](CNC1=[NH+]C[C@@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308132 176116429 /nfs/dbraw/zinc/11/64/29/176116429.db2.gz MUBWGCPTFVTNJV-YPMHNXCESA-N 2 0 267.442 2.189 10 0 CEAERP CCC[C@@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378501 176142662 /nfs/dbraw/zinc/14/26/62/176142662.db2.gz OCMHIBFOGADDCW-QGZVFWFLSA-N 2 0 295.471 2.147 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377486 176142852 /nfs/dbraw/zinc/14/28/52/176142852.db2.gz CLQLRJKTISVMSB-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP C[N@H+](CCN1[C@@H]2CCC[C@H]1CC([NH3+])C2)C1CCCC1 ZINC000071379314 176143746 /nfs/dbraw/zinc/14/37/46/176143746.db2.gz RWQJSZAYQKDKOJ-VHRNVKJDSA-N 2 0 265.445 2.205 10 0 CEAERP [NH3+][C@H](CCC[NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1 ZINC000071401977 176153789 /nfs/dbraw/zinc/15/37/89/176153789.db2.gz WFZDMERMEUVDPR-DOTOQJQBSA-N 2 0 273.424 2.293 10 0 CEAERP COc1cc2c(cc1OC)[C@H](C1CC[NH+](C)CC1)[NH2+]CC2 ZINC000071494036 176191280 /nfs/dbraw/zinc/19/12/80/176191280.db2.gz IBMNPUDBKORRAN-KRWDZBQOSA-N 2 0 290.407 2.232 10 0 CEAERP COc1ccccc1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000071589151 176217443 /nfs/dbraw/zinc/21/74/43/176217443.db2.gz ZCSILGGEBUBZSP-UHFFFAOYSA-N 2 0 262.397 2.299 10 0 CEAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000400725499 279498069 /nfs/dbraw/zinc/49/80/69/279498069.db2.gz PFYCRVUVWUJGLI-GVXVVHGQSA-N 2 0 262.353 2.064 10 0 CEAERP Cc1c(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC000406025961 289293258 /nfs/dbraw/zinc/29/32/58/289293258.db2.gz HHZZSXPYXGFQKF-GOSISDBHSA-N 2 0 298.434 2.483 10 0 CEAERP C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000573952777 314186737 /nfs/dbraw/zinc/18/67/37/314186737.db2.gz VTLOHGLIBJQOJZ-XNGJBWTFSA-N 2 0 274.408 2.322 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000055076035 519726171 /nfs/dbraw/zinc/72/61/71/519726171.db2.gz FFSOTZTZRIINCK-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654677 519815848 /nfs/dbraw/zinc/81/58/48/519815848.db2.gz YFHVIHNKKNGOQL-CABCVRRESA-N 2 0 269.477 2.425 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000061287223 519905426 /nfs/dbraw/zinc/90/54/26/519905426.db2.gz FSAPJEHRIGFXFA-ZDUSSCGKSA-N 2 0 271.449 2.001 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](Cc1ccccc1)C1CC1 ZINC000062740909 520307477 /nfs/dbraw/zinc/30/74/77/520307477.db2.gz LVUBDVOZTPOBOI-MRXNPFEDSA-N 2 0 262.397 2.405 10 0 CEAERP CC[N@H+](CCC[C@H]1CCCC[NH2+]1)C[C@@H]1CCCO1 ZINC000050953285 521043655 /nfs/dbraw/zinc/04/36/55/521043655.db2.gz KUEDGQYLUKOEMJ-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP C[NH2+]Cc1ccoc1C[N@H+](C)CCc1ccncc1 ZINC000052483072 522140781 /nfs/dbraw/zinc/14/07/81/522140781.db2.gz CZWCFSVPRUMQNW-UHFFFAOYSA-N 2 0 259.353 2.069 10 0 CEAERP C[C@H]([NH2+]CCc1c[nH]c2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000400530522 533868447 /nfs/dbraw/zinc/86/84/47/533868447.db2.gz RNQISJDNSICKLT-QWHCGFSZSA-N 2 0 257.381 2.298 10 0 CEAERP C(C[C@@H]1CCC[NH2+]1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000052764676 518396246 /nfs/dbraw/zinc/39/62/46/518396246.db2.gz MQELXXMDMGYGRL-SOUVJXGZSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000050953237 518711580 /nfs/dbraw/zinc/71/15/80/518711580.db2.gz ZHKFNBQJORQLRQ-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CCCN1CCC[NH+]1CCCC1 ZINC000053649843 518761069 /nfs/dbraw/zinc/76/10/69/518761069.db2.gz NPHOOBRZDKZSCG-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)(C)[NH2+]Cc1cccnc1OCC[NH+]1CCCC1 ZINC000051548873 518766040 /nfs/dbraw/zinc/76/60/40/518766040.db2.gz SRRHZSOWWOKPCR-UHFFFAOYSA-N 2 0 277.412 2.444 10 0 CEAERP CC(C)[NH2+]CC[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571718 519722014 /nfs/dbraw/zinc/72/20/14/519722014.db2.gz STRRQILLBMXYPY-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423974 519723890 /nfs/dbraw/zinc/72/38/90/519723890.db2.gz AZTUILDTVROBRO-DLBZAZTESA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478890 519725293 /nfs/dbraw/zinc/72/52/93/519725293.db2.gz XKBQPXJAYNDKAS-CVEARBPZSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055077623 519725968 /nfs/dbraw/zinc/72/59/68/519725968.db2.gz AQRLSMGFPJULIJ-QGZVFWFLSA-N 2 0 275.440 2.003 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000055082044 519726389 /nfs/dbraw/zinc/72/63/89/519726389.db2.gz WQUIQYQWVNDHNP-HZPDHXFCSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055077626 519726691 /nfs/dbraw/zinc/72/66/91/519726691.db2.gz AQRLSMGFPJULIJ-KRWDZBQOSA-N 2 0 275.440 2.003 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654267 519727760 /nfs/dbraw/zinc/72/77/60/519727760.db2.gz BFSSIQUJANLMNK-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711767 519742791 /nfs/dbraw/zinc/74/27/91/519742791.db2.gz RNMJZCUNWVGZRU-HNNXBMFYSA-N 2 0 268.445 2.249 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H](C)COC)CC1 ZINC000045657251 519847627 /nfs/dbraw/zinc/84/76/27/519847627.db2.gz WFVXFVBFQYSITF-KGLIPLIRSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022551 519859571 /nfs/dbraw/zinc/85/95/71/519859571.db2.gz ZQCBDBZRVPFBRT-HNNXBMFYSA-N 2 0 274.412 2.081 10 0 CEAERP CCC[NH+]1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554500 519859684 /nfs/dbraw/zinc/85/96/84/519859684.db2.gz GEFBLLIYWBRGMO-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP CCCC1CC[NH+](CCNCCC[NH+](C)C)CC1 ZINC000053387575 519901442 /nfs/dbraw/zinc/90/14/42/519901442.db2.gz AYYMLLUOLBWMRW-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)C[C@H]2CCCO2)CCOCC1 ZINC000052182541 519910342 /nfs/dbraw/zinc/91/03/42/519910342.db2.gz WTMWGLWVPNTMEK-MRXNPFEDSA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543925 519929592 /nfs/dbraw/zinc/92/95/92/519929592.db2.gz RVBNVDASPPUTAA-MRXNPFEDSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054968949 519975344 /nfs/dbraw/zinc/97/53/44/519975344.db2.gz IQGRMTCVSBKALD-UHFFFAOYSA-N 2 0 282.457 2.093 10 0 CEAERP CC[NH2+]C[C@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053011492 519975520 /nfs/dbraw/zinc/97/55/20/519975520.db2.gz FJVKLBFPKBOHHG-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+][C@@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899137 519991453 /nfs/dbraw/zinc/99/14/53/519991453.db2.gz MJQQCFXUKWRGKU-LBPRGKRZSA-N 2 0 282.457 2.346 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000052371380 519995179 /nfs/dbraw/zinc/99/51/79/519995179.db2.gz MNWAHVKRDGXBTI-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066062 520023134 /nfs/dbraw/zinc/02/31/34/520023134.db2.gz AFVGASNFJIYJMV-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082658 520030446 /nfs/dbraw/zinc/03/04/46/520030446.db2.gz LCNFBPNVGBJGKW-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CCC[NH2+][C@H](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000069288320 520062594 /nfs/dbraw/zinc/06/25/94/520062594.db2.gz MMQPZPIWWCFDRP-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+][C@@H](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000061274918 520072265 /nfs/dbraw/zinc/07/22/65/520072265.db2.gz SJHRTDVMLGUQGJ-INIZCTEOSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCCC[C@@H]1CCO ZINC000053863740 520094561 /nfs/dbraw/zinc/09/45/61/520094561.db2.gz WBLATYKJEVEOLM-XHSDSOJGSA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643715 520117011 /nfs/dbraw/zinc/11/70/11/520117011.db2.gz RKWYIAHQZYGMPY-BZUAXINKSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000054554519 520121279 /nfs/dbraw/zinc/12/12/79/520121279.db2.gz IXHORHZGTFOQOP-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446562 520131508 /nfs/dbraw/zinc/13/15/08/520131508.db2.gz WUMKTFBMMAITTG-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903754 520180905 /nfs/dbraw/zinc/18/09/05/520180905.db2.gz WIRRHJBEIVQZNQ-LLVKDONJSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643574 520224027 /nfs/dbraw/zinc/22/40/27/520224027.db2.gz JMPFYCBBMKTRQE-NJAFHUGGSA-N 2 0 287.451 2.288 10 0 CEAERP CCCC[N@H+](CCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016759 520525373 /nfs/dbraw/zinc/52/53/73/520525373.db2.gz BEBBGRKNOAOXSW-HNNXBMFYSA-N 2 0 250.386 2.171 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C[NH3+])oc2C)C1 ZINC000052372230 520527005 /nfs/dbraw/zinc/52/70/05/520527005.db2.gz AYSLZTGOFDQCPA-ZDUSSCGKSA-N 2 0 252.358 2.048 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055086689 520626105 /nfs/dbraw/zinc/62/61/05/520626105.db2.gz YVRYFPYYNUXVIX-ILXRZTDVSA-N 2 0 283.460 2.131 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055146379 520627224 /nfs/dbraw/zinc/62/72/24/520627224.db2.gz IHHISWJYLYRFAB-QQFBHYJXSA-N 2 0 297.487 2.378 10 0 CEAERP CC[NH+](CC)CCc1ncc2c(n1)CC(C)(C)C[C@@H]2[NH3+] ZINC000050094212 520714717 /nfs/dbraw/zinc/71/47/17/520714717.db2.gz CUBYZRZSDRHLCC-ZDUSSCGKSA-N 2 0 276.428 2.333 10 0 CEAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065338 520726445 /nfs/dbraw/zinc/72/64/45/520726445.db2.gz OSEFYCUHZMBADV-RRFJBIMHSA-N 2 0 255.450 2.309 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC(C)(C)C[NH2+]C(C)C)C1 ZINC000062970286 520872819 /nfs/dbraw/zinc/87/28/19/520872819.db2.gz CJEJVHVYMYSYRY-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643104 521262821 /nfs/dbraw/zinc/26/28/21/521262821.db2.gz SRRQODUQZAHDFF-WBVHZDCISA-N 2 0 291.439 2.111 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cc(C[NH3+])co1 ZINC000052573361 521558604 /nfs/dbraw/zinc/55/86/04/521558604.db2.gz DFVYOUNLALLULU-UHFFFAOYSA-N 2 0 254.374 2.375 10 0 CEAERP CCC(CC)[NH2+]CCN1CC[NH+](C2CCCC2)CC1 ZINC000053388880 521596836 /nfs/dbraw/zinc/59/68/36/521596836.db2.gz YXDFCBZEIUAEDE-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000164394326 521617372 /nfs/dbraw/zinc/61/73/72/521617372.db2.gz CUFCEBQSSHCXCJ-CVEARBPZSA-N 2 0 295.471 2.145 10 0 CEAERP CCC[N@H+](CCOc1cccc(C[NH2+]C)c1)CCN(C)C ZINC000052544203 521668844 /nfs/dbraw/zinc/66/88/44/521668844.db2.gz WHBFLFHYKYHKRL-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000061643459 521843392 /nfs/dbraw/zinc/84/33/92/521843392.db2.gz JODMQGDULLUINX-UAGQMJEPSA-N 2 0 273.424 2.027 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)Cc2ccc(OC)cc2)CCOCC1 ZINC000052183055 521965108 /nfs/dbraw/zinc/96/51/08/521965108.db2.gz AYVUFDHWFJBCEE-UHFFFAOYSA-N 2 0 292.423 2.143 10 0 CEAERP C[NH2+]CCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484235 521992271 /nfs/dbraw/zinc/99/22/71/521992271.db2.gz SGPKFNGOMGUKEX-UHFFFAOYSA-N 3 0 267.461 2.326 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423703 521999147 /nfs/dbraw/zinc/99/91/47/521999147.db2.gz KHWUBCZOUBHFSS-OAHLLOKOSA-N 2 0 291.439 2.205 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484225 522000218 /nfs/dbraw/zinc/00/02/18/522000218.db2.gz NUZFFTDXLSXLHZ-HNNXBMFYSA-N 3 0 267.461 2.325 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC3(CCCC3)CC2)O1 ZINC000062958581 522095484 /nfs/dbraw/zinc/09/54/84/522095484.db2.gz PWXIIAWVNRRQGH-HUUCEWRRSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C2CCC(C)CC2)O1 ZINC000052345450 522096816 /nfs/dbraw/zinc/09/68/16/522096816.db2.gz FCZUBNDSZNNLGN-NEXFUWMNSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+]Cc1cc(C[N@@H+]2CCCSCC2)c(C)o1 ZINC000052371167 522106154 /nfs/dbraw/zinc/10/61/54/522106154.db2.gz QFWZNTKYNJOFDX-UHFFFAOYSA-N 2 0 254.399 2.246 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055075482 522120864 /nfs/dbraw/zinc/12/08/64/522120864.db2.gz ZZWMSPWLQLQGOY-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)s2)CC1 ZINC000055063804 522131677 /nfs/dbraw/zinc/13/16/77/522131677.db2.gz HEJACUXUUVTISX-TZMCWYRMSA-N 2 0 281.469 2.472 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067178 522133888 /nfs/dbraw/zinc/13/38/88/522133888.db2.gz FKLFYUNSRRZDEW-LLVKDONJSA-N 2 0 278.375 2.030 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC(C)C)CC1 ZINC000055077431 522339123 /nfs/dbraw/zinc/33/91/23/522339123.db2.gz QHXKQKQJYJWYOD-RDJZCZTQSA-N 2 0 290.455 2.134 10 0 CEAERP CCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]C1CC1 ZINC000054968961 522385096 /nfs/dbraw/zinc/38/50/96/522385096.db2.gz KSCROEBTUPVKRE-UHFFFAOYSA-N 2 0 294.468 2.099 10 0 CEAERP C[NH2+][C@H](CCN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061653619 522459896 /nfs/dbraw/zinc/45/98/96/522459896.db2.gz VLZWMWZENSAQFO-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082084 522490633 /nfs/dbraw/zinc/49/06/33/522490633.db2.gz VLJSJYWLVMIROR-CVEARBPZSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977508 522649482 /nfs/dbraw/zinc/64/94/82/522649482.db2.gz JQPNYAGBUODFPR-LZWOXQAQSA-N 2 0 277.412 2.228 10 0 CEAERP COC1CC[NH+]([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022784 522707296 /nfs/dbraw/zinc/70/72/96/522707296.db2.gz YISNEKQWJHMGTM-CQSZACIVSA-N 2 0 261.369 2.165 10 0 CEAERP CN([C@@H](C[NH3+])c1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000068810730 523625216 /nfs/dbraw/zinc/62/52/16/523625216.db2.gz YRVWODQWOJHYDN-HNNXBMFYSA-N 2 0 287.407 2.459 10 0 CEAERP COCC[N@H+](CCCC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545269 523693086 /nfs/dbraw/zinc/69/30/86/523693086.db2.gz JWDTXMYVTGCLDW-ZDUSSCGKSA-N 2 0 254.418 2.266 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH2+]C(C)C)co1)[C@@H](C)COC ZINC000052572392 523740259 /nfs/dbraw/zinc/74/02/59/523740259.db2.gz HHDLVKOTYONLGC-AWEZNQCLSA-N 2 0 298.427 2.261 10 0 CEAERP COCC[N@H+](Cc1ccoc1C[NH2+]C(C)C)[C@@H](C)COC ZINC000052572350 523770037 /nfs/dbraw/zinc/77/00/37/523770037.db2.gz RNOVSTURMPAPLO-AWEZNQCLSA-N 2 0 298.427 2.261 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC2(C[NH2+]C)CCCC2)CC1 ZINC000055071951 523953315 /nfs/dbraw/zinc/95/33/15/523953315.db2.gz PJGWWRXVTKVZGM-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH+](C)CC1CCN(c2ncc(C[NH2+]C3CC3)s2)CC1 ZINC000054907417 524050478 /nfs/dbraw/zinc/05/04/78/524050478.db2.gz QSMVJCCMWPGGLT-UHFFFAOYSA-N 2 0 294.468 2.173 10 0 CEAERP C[C@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049185001 524321931 /nfs/dbraw/zinc/32/19/31/524321931.db2.gz HWTZYGJQYOHBGR-SNVBAGLBSA-N 2 0 262.332 2.414 10 0 CEAERP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCOc1ccccc1F ZINC000070182787 524351563 /nfs/dbraw/zinc/35/15/63/524351563.db2.gz FXKSLTQVSLZISX-STQMWFEESA-N 2 0 266.360 2.264 10 0 CEAERP C[C@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000050948298 524378912 /nfs/dbraw/zinc/37/89/12/524378912.db2.gz OATZQHNAQGNSDI-HZPDHXFCSA-N 2 0 295.471 2.147 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)c1 ZINC000063051124 524464735 /nfs/dbraw/zinc/46/47/35/524464735.db2.gz NDQQEBVPMBDDAQ-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP C[C@@H]1CC[C@@H](C)[C@@](CN)([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630024 524580294 /nfs/dbraw/zinc/58/02/94/524580294.db2.gz ATLZBSRGJVLJJZ-BFYDXBDKSA-N 2 0 281.488 2.414 10 0 CEAERP Cc1n[nH]cc1CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000157433625 525499227 /nfs/dbraw/zinc/49/92/27/525499227.db2.gz XGSRJXVTLJCPBE-CVEARBPZSA-N 2 0 270.380 2.385 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000050563661 525640856 /nfs/dbraw/zinc/64/08/56/525640856.db2.gz NZZGONWQZPDYPQ-QWHCGFSZSA-N 2 0 275.396 2.204 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)c(C)c1 ZINC000063051331 525755699 /nfs/dbraw/zinc/75/56/99/525755699.db2.gz AGWFHLSUABTVSR-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061641999 525786024 /nfs/dbraw/zinc/78/60/24/525786024.db2.gz OLAODHXWFNBHQI-UMVBOHGHSA-N 2 0 281.469 2.471 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062970199 525960542 /nfs/dbraw/zinc/96/05/42/525960542.db2.gz YRRFGBSVWCUTRL-JKSUJKDBSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643504 525961012 /nfs/dbraw/zinc/96/10/12/525961012.db2.gz PASNUHYIPKSXGP-USXIJHARSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642805 526100785 /nfs/dbraw/zinc/10/07/85/526100785.db2.gz PYDCMHBZMMPLFG-DJIMGWMZSA-N 2 0 275.440 2.143 10 0 CEAERP Cc1oc(C[NH3+])cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484214 526769992 /nfs/dbraw/zinc/76/99/92/526769992.db2.gz VXVWJYYALKCDFV-UHFFFAOYSA-N 2 0 291.439 2.497 10 0 CEAERP Cc1nc(N2CCC([NH+](C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000054895667 526962619 /nfs/dbraw/zinc/96/26/19/526962619.db2.gz IZHZVEQXLKKSRD-SECBINFHSA-N 2 0 268.430 2.002 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1[C@@H](C)[NH3+] ZINC000054898190 526966943 /nfs/dbraw/zinc/96/69/43/526966943.db2.gz XSISOYYJPGOQJB-SNVBAGLBSA-N 2 0 282.457 2.392 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000068749661 527247008 /nfs/dbraw/zinc/24/70/08/527247008.db2.gz FAYNUOIUEWSSFA-MRXNPFEDSA-N 2 0 268.364 2.272 10 0 CEAERP [NH3+]Cc1ccc(F)cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000069401550 527254866 /nfs/dbraw/zinc/25/48/66/527254866.db2.gz LTGXMXRAZITMSE-UHFFFAOYSA-N 2 0 291.414 2.345 10 0 CEAERP OC[C@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261765409 629186688 /nfs/dbraw/zinc/18/66/88/629186688.db2.gz MUELBUYCAXBBJT-AEFFLSMTSA-N 2 0 288.435 2.012 10 0 CEAERP CC(C)(C)OC(=O)[C@H]1C[NH2+]CC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000757186413 631831557 /nfs/dbraw/zinc/83/15/57/631831557.db2.gz XNZOLHONWJBTHD-GFCCVEGCSA-N 2 0 296.455 2.475 10 0 CEAERP CN(C[C@H](O)c1cc2ccccc2o1)C[C@H]1CC[N@H+](C)C1 ZINC000071190569 641729562 /nfs/dbraw/zinc/72/95/62/641729562.db2.gz GLQRUQGGQNHZRI-ZFWWWQNUSA-N 2 0 288.391 2.350 10 0 CEAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000124113025 365644448 /nfs/dbraw/zinc/64/44/48/365644448.db2.gz PPSOUSSCKCTEKH-OAGGEKHMSA-N 2 0 268.445 2.249 10 0 CEAERP C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394412800 539031011 /nfs/dbraw/zinc/03/10/11/539031011.db2.gz HBLSKSBLZIPFTE-JDOFQRQTSA-N 2 0 266.429 2.095 10 0 CEAERP CC(C)N1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265972 539213417 /nfs/dbraw/zinc/21/34/17/539213417.db2.gz FYECBMUMWSQBNQ-GFCCVEGCSA-N 2 0 253.434 2.107 10 0 CEAERP CC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000311150904 344733289 /nfs/dbraw/zinc/73/32/89/344733289.db2.gz NCDLCBQIMXUGRO-YMAMQOFZSA-N 2 0 254.418 2.002 10 0 CEAERP [NH3+]CCNc1c2ccccc2[nH+]c2c1CCCCC2 ZINC000584904567 345004653 /nfs/dbraw/zinc/00/46/53/345004653.db2.gz YZSFRKVSZCSXLG-UHFFFAOYSA-N 2 0 255.365 2.296 10 0 CEAERP CC(C)C[NH+](CCCC[C@](C)([NH3+])CO)CC(C)C ZINC000085241512 178981658 /nfs/dbraw/zinc/98/16/58/178981658.db2.gz ZSTZIRPEVVIAJQ-HNNXBMFYSA-N 2 0 258.450 2.480 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085359247 179031782 /nfs/dbraw/zinc/03/17/82/179031782.db2.gz MIMJQFAKQUKJFW-KGLIPLIRSA-N 2 0 275.396 2.204 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085359251 179031937 /nfs/dbraw/zinc/03/19/37/179031937.db2.gz MIMJQFAKQUKJFW-ZIAGYGMSSA-N 2 0 275.396 2.204 10 0 CEAERP CCCNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403668 179052927 /nfs/dbraw/zinc/05/29/27/179052927.db2.gz VQSDDIMRZXGJJJ-GOEBONIOSA-N 2 0 295.471 2.145 10 0 CEAERP OCCCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403706 179053385 /nfs/dbraw/zinc/05/33/85/179053385.db2.gz PCQXOXHPSSVXHY-OAHLLOKOSA-N 2 0 254.418 2.003 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609442 179101859 /nfs/dbraw/zinc/10/18/59/179101859.db2.gz ULLRVVFDJUXDNO-QLFBSQMISA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085962692 179204582 /nfs/dbraw/zinc/20/45/82/179204582.db2.gz FRTVUAHLAMETLV-ZFWWWQNUSA-N 2 0 254.418 2.002 10 0 CEAERP CC[C@](C[NH3+])(C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000086120197 179234981 /nfs/dbraw/zinc/23/49/81/179234981.db2.gz KPQAYHHBKRTUIT-KRWDZBQOSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086173722 179244137 /nfs/dbraw/zinc/24/41/37/179244137.db2.gz WSKQZAXNWOAKSW-VVLHAWIVSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172103 179244627 /nfs/dbraw/zinc/24/46/27/179244627.db2.gz RURXMBMRKLYMAR-NCOADZHNSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1CCCC[NH+](C)C ZINC000086174280 179245324 /nfs/dbraw/zinc/24/53/24/179245324.db2.gz DWEYKGVHHLCIQN-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217877 179249405 /nfs/dbraw/zinc/24/94/05/179249405.db2.gz VKJAWRTXYBKNQU-ZBFHGGJFSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223001 179250993 /nfs/dbraw/zinc/25/09/93/179250993.db2.gz MFKFJXXQPKMTJK-HYVNUMGLSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223932 179253021 /nfs/dbraw/zinc/25/30/21/179253021.db2.gz KZPNNPRXHGHIEK-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225413 179253287 /nfs/dbraw/zinc/25/32/87/179253287.db2.gz UHJZKOZGAZMPMA-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224020 179253294 /nfs/dbraw/zinc/25/32/94/179253294.db2.gz NZYRDGAJAQXFBV-PMPSAXMXSA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@@](C)(C3CC3)NC[C@@H]2C)CC1 ZINC000086259141 179257853 /nfs/dbraw/zinc/25/78/53/179257853.db2.gz PQSUMEWGLQZYQA-YOEHRIQHSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259597 179258120 /nfs/dbraw/zinc/25/81/20/179258120.db2.gz SYCBRYJMPZYCSQ-GDBMZVCRSA-N 2 0 279.472 2.466 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259622 179258350 /nfs/dbraw/zinc/25/83/50/179258350.db2.gz SXJTXNUDRFZLEH-BMGDILEWSA-N 2 0 291.483 2.466 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259628 179259226 /nfs/dbraw/zinc/25/92/26/179259226.db2.gz GMIXWBXCYXNFQK-IMJJTQAJSA-N 2 0 265.445 2.076 10 0 CEAERP CC1(C)C[N@H+](CCc2ccc(F)cc2)CCC[NH2+]1 ZINC000086285642 179263845 /nfs/dbraw/zinc/26/38/45/179263845.db2.gz UYZWNKPKWSMHNL-UHFFFAOYSA-N 2 0 250.361 2.442 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288683 179264766 /nfs/dbraw/zinc/26/47/66/179264766.db2.gz WCTPDFWKYCZTGK-WMZOPIPTSA-N 2 0 287.451 2.365 10 0 CEAERP C[C@H]([C@@H]1CCCO1)[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287103 179264871 /nfs/dbraw/zinc/26/48/71/179264871.db2.gz ZJVFJQJVDIADGF-RDBSUJKOSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259090 179256707 /nfs/dbraw/zinc/25/67/07/179256707.db2.gz HLVSYFYISIAIIJ-DZGCQCFKSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293259 179266626 /nfs/dbraw/zinc/26/66/26/179266626.db2.gz IXAVOSWYHIJNAA-CABCVRRESA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)C[C@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293271 179266678 /nfs/dbraw/zinc/26/66/78/179266678.db2.gz FQFXFWHIOFTVPE-HNNXBMFYSA-N 3 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N(C)CC[NH+]3CCCC3)nc21 ZINC000086444101 179293434 /nfs/dbraw/zinc/29/34/34/179293434.db2.gz GTOKDHKYPSEANB-LBPRGKRZSA-N 2 0 294.468 2.272 10 0 CEAERP CC[N@@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH2+]C)C[C@@H]1C ZINC000086444155 179293450 /nfs/dbraw/zinc/29/34/50/179293450.db2.gz KCONPKKDPVQKML-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N(C)C3CC[NH+](C)CC3)nc21 ZINC000086442035 179293882 /nfs/dbraw/zinc/29/38/82/179293882.db2.gz UWCXOPMIVCCYKY-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1Cl ZINC000086595167 179311035 /nfs/dbraw/zinc/31/10/35/179311035.db2.gz CZPLDJOXFKBAFW-CQSZACIVSA-N 2 0 299.846 2.232 10 0 CEAERP CC(C)[N@@H+]1CCO[C@H](CO[C@@]2(C[NH3+])CCC[C@@H](C)C2)C1 ZINC000086712321 179322741 /nfs/dbraw/zinc/32/27/41/179322741.db2.gz VFYZTYLTUPIFNW-PMPSAXMXSA-N 2 0 284.444 2.020 10 0 CEAERP CCN(c1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819497 179348323 /nfs/dbraw/zinc/34/83/23/179348323.db2.gz JDIAPHXFSHSZCO-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP CCN(C1CCCC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819295 179348540 /nfs/dbraw/zinc/34/85/40/179348540.db2.gz YQZDXLWKXLVXCG-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847103 179356222 /nfs/dbraw/zinc/35/62/22/179356222.db2.gz RXNNTHMVURJNLI-KRWDZBQOSA-N 2 0 290.455 2.107 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848734 179356662 /nfs/dbraw/zinc/35/66/62/179356662.db2.gz QYIUCPSWTHYESY-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848389 179356813 /nfs/dbraw/zinc/35/68/13/179356813.db2.gz DGCWZRWOFQDPQJ-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846991 179357246 /nfs/dbraw/zinc/35/72/46/179357246.db2.gz DPNFIUNAXWBQDT-HNNXBMFYSA-N 2 0 281.469 2.383 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843723 179353185 /nfs/dbraw/zinc/35/31/85/179353185.db2.gz PIRRUXWFCOJITQ-OAHLLOKOSA-N 3 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC000086842317 179353471 /nfs/dbraw/zinc/35/34/71/179353471.db2.gz SRJSQNZLWDPCTA-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844101 179355238 /nfs/dbraw/zinc/35/52/38/179355238.db2.gz YZKFOJBFKGWYIS-SLTAFYQDSA-N 3 0 253.434 2.110 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cccc(F)c2)CC1 ZINC000086846642 179355337 /nfs/dbraw/zinc/35/53/37/179355337.db2.gz QYMARARPOZVGRQ-KRWDZBQOSA-N 2 0 293.430 2.461 10 0 CEAERP CCOC(=O)C[C@]1([NH+](C)C)CCC[N@@H+](C(C)C)CC1 ZINC000086868529 179360505 /nfs/dbraw/zinc/36/05/05/179360505.db2.gz YKDOTCLSFJZXCQ-HNNXBMFYSA-N 2 0 270.417 2.134 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000086891434 179366358 /nfs/dbraw/zinc/36/63/58/179366358.db2.gz LBSVYUQUJUJJHS-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC)CC2)CC1 ZINC000086910439 179367184 /nfs/dbraw/zinc/36/71/84/179367184.db2.gz CCOYOQGYSIZWRG-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916915 179367827 /nfs/dbraw/zinc/36/78/27/179367827.db2.gz FFWLJZRPBDTYAJ-OWCLPIDISA-N 2 0 295.471 2.132 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014626 179379811 /nfs/dbraw/zinc/37/98/11/179379811.db2.gz UDYIIKRDMYXEHF-CQSZACIVSA-N 2 0 256.434 2.392 10 0 CEAERP CC1CCC(O)(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000087045870 179388302 /nfs/dbraw/zinc/38/83/02/179388302.db2.gz KISXMMLNJZMIHR-SHARSMKWSA-N 2 0 254.418 2.002 10 0 CEAERP C(C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[C@@H]1CCCO1 ZINC000087247698 179405189 /nfs/dbraw/zinc/40/51/89/179405189.db2.gz NSRBRGMBBDPOFT-KFWWJZLASA-N 2 0 252.402 2.162 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C[NH2+]CCc1nccs1 ZINC000087706228 179474225 /nfs/dbraw/zinc/47/42/25/179474225.db2.gz RVTCNVSKDKQCPZ-NEPJUHHUSA-N 2 0 255.431 2.429 10 0 CEAERP C(C[NH2+][C@H]1CCC[NH2+]CC1)COC1CCCCC1 ZINC000128916308 187398938 /nfs/dbraw/zinc/39/89/38/187398938.db2.gz DDIRYKLQSVMLNC-AWEZNQCLSA-N 2 0 254.418 2.458 10 0 CEAERP COc1ccc(CC[C@](C)(C[NH3+])[NH2+]C[C@@H]2CCCO2)cc1 ZINC000087928748 179525144 /nfs/dbraw/zinc/52/51/44/179525144.db2.gz PIICAZABERSSPH-DLBZAZTESA-N 2 0 292.423 2.114 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C ZINC000104194512 185923867 /nfs/dbraw/zinc/92/38/67/185923867.db2.gz LWNLCPMWTDERLM-HOCLYGCPSA-N 2 0 263.429 2.267 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089393571 179779357 /nfs/dbraw/zinc/77/93/57/179779357.db2.gz QWJSENOZKGPOEX-ZBFHGGJFSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH2+][C@H](C)C1CC[NH+](CCc2cccnc2)CC1 ZINC000104417338 185994266 /nfs/dbraw/zinc/99/42/66/185994266.db2.gz VJODEDSIHHMMHT-CQSZACIVSA-N 2 0 261.413 2.334 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](CC)C1CCCC1 ZINC000090566151 180005273 /nfs/dbraw/zinc/00/52/73/180005273.db2.gz KIWBCBZZCJCCLS-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@@H+]1CCCC(C)(C)C1 ZINC000090567043 180006549 /nfs/dbraw/zinc/00/65/49/180006549.db2.gz AINFCZSAOGMXAJ-KBPBESRZSA-N 2 0 254.418 2.123 10 0 CEAERP CCC1(CC)CC[NH+](C[C@@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090621033 180013909 /nfs/dbraw/zinc/01/39/09/180013909.db2.gz UXMLQYIXUXDWOI-KBPBESRZSA-N 2 0 254.418 2.252 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)cc1 ZINC000090694115 180025981 /nfs/dbraw/zinc/02/59/81/180025981.db2.gz ZZBKZLYMUBURKZ-UHFFFAOYSA-N 2 0 293.386 2.086 10 0 CEAERP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694074 180026482 /nfs/dbraw/zinc/02/64/82/180026482.db2.gz OZWHPDLYNQHUQJ-CYBMUJFWSA-N 2 0 283.460 2.001 10 0 CEAERP [NH3+]CCC[N@@H+]1CCCN(c2snc3ccccc32)CC1 ZINC000090868844 180049421 /nfs/dbraw/zinc/04/94/21/180049421.db2.gz YMCOLXMEFBWEON-UHFFFAOYSA-N 2 0 290.436 2.157 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090875334 180050731 /nfs/dbraw/zinc/05/07/31/180050731.db2.gz JRJMFLKFDWVOHM-NFAWXSAZSA-N 2 0 260.381 2.049 10 0 CEAERP CC[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090875379 180051387 /nfs/dbraw/zinc/05/13/87/180051387.db2.gz OZVJAFFEFAXIIH-ZBFHGGJFSA-N 2 0 274.408 2.312 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892206 180054009 /nfs/dbraw/zinc/05/40/09/180054009.db2.gz KHJIPPRGLKNJDD-WFASDCNBSA-N 2 0 278.371 2.061 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@H]1Cc2cc(C)ccc2O1 ZINC000090896975 180056974 /nfs/dbraw/zinc/05/69/74/180056974.db2.gz MUJGJPLRACBZIS-OAHLLOKOSA-N 2 0 262.397 2.359 10 0 CEAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907814 180062185 /nfs/dbraw/zinc/06/21/85/180062185.db2.gz PCGVPZIYOWKVDQ-MCIONIFRSA-N 2 0 254.418 2.406 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000090978336 180079185 /nfs/dbraw/zinc/07/91/85/180079185.db2.gz BVGGIQRSDIFBSX-OFQRWUPVSA-N 2 0 256.393 2.256 10 0 CEAERP CCC[C@@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376911 539758156 /nfs/dbraw/zinc/75/81/56/539758156.db2.gz BACVTAJZFUQJBN-DLBZAZTESA-N 2 0 276.424 2.389 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@H]([NH+](C)C)C2)CCC(C)CC1 ZINC000091428411 180153202 /nfs/dbraw/zinc/15/32/02/180153202.db2.gz QXGDEIFPJWVGQZ-CGZBRXJRSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091428493 180153225 /nfs/dbraw/zinc/15/32/25/180153225.db2.gz GPZMBJXAXREVGR-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCCCCC[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091432963 180153664 /nfs/dbraw/zinc/15/36/64/180153664.db2.gz AARBLYZYTLPCBB-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091449262 180157514 /nfs/dbraw/zinc/15/75/14/180157514.db2.gz BRBSLTDJRGVLOU-OAHLLOKOSA-N 2 0 279.428 2.304 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091450316 180158047 /nfs/dbraw/zinc/15/80/47/180158047.db2.gz TZNPXXSKUCFZMB-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP COc1c(C)c[nH+]c(C[C@@](C)(O)CC[NH2+]C(C)C)c1C ZINC000091467596 180164426 /nfs/dbraw/zinc/16/44/26/180164426.db2.gz GVOIALXTRNRAJK-INIZCTEOSA-N 2 0 280.412 2.389 10 0 CEAERP CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091393672 180145262 /nfs/dbraw/zinc/14/52/62/180145262.db2.gz QUNZOVMCDFFCQK-FXUDXRNXSA-N 2 0 267.461 2.164 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091395154 180146001 /nfs/dbraw/zinc/14/60/01/180146001.db2.gz KNASIAGWIDVCCY-STQMWFEESA-N 2 0 267.442 2.082 10 0 CEAERP CCCC[N@H+](CCO)CC(C)(C)[C@H](C)[NH2+]CCC ZINC000091403458 180146901 /nfs/dbraw/zinc/14/69/01/180146901.db2.gz HPSRUIYQRICVLE-AWEZNQCLSA-N 2 0 258.450 2.495 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](CCO)C1CCCC1 ZINC000091403820 180147064 /nfs/dbraw/zinc/14/70/64/180147064.db2.gz DDJZMZNKFZLGJR-ZDUSSCGKSA-N 2 0 256.434 2.248 10 0 CEAERP CC[C@](C)([C@@H]([NH3+])CC1CCOCC1)[NH+]1CCCC1 ZINC000091604764 180204709 /nfs/dbraw/zinc/20/47/09/180204709.db2.gz VDBWPLGMQUXVLM-LSDHHAIUSA-N 2 0 254.418 2.395 10 0 CEAERP [NH3+][C@@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640494 180213507 /nfs/dbraw/zinc/21/35/07/180213507.db2.gz PPSJPNVJIVGIJR-AWEZNQCLSA-N 2 0 252.402 2.149 10 0 CEAERP C[NH2+][C@H]([C@H]1CCOC1)C1([NH+](C)C)CCC(C)CC1 ZINC000091649069 180216202 /nfs/dbraw/zinc/21/62/02/180216202.db2.gz RSTSJVZPHMQQAS-RAFNIBEQSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH+](CC)CC[C@@H](O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091714247 180231459 /nfs/dbraw/zinc/23/14/59/180231459.db2.gz DSSSBSDZPYFEPA-CQSZACIVSA-N 2 0 280.412 2.342 10 0 CEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cc(C)nn1CC ZINC000091716558 180232816 /nfs/dbraw/zinc/23/28/16/180232816.db2.gz DSGREJFHJMSYMZ-HNNXBMFYSA-N 2 0 280.460 2.464 10 0 CEAERP Cc1ccc(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720549 180237077 /nfs/dbraw/zinc/23/70/77/180237077.db2.gz PEILIJWRDLGPCX-IKGGRYGDSA-N 2 0 274.408 2.036 10 0 CEAERP CC[N@H+](C[C@H]1COC2(CCCC2)O1)C1CCC([NH3+])CC1 ZINC000091851014 180271885 /nfs/dbraw/zinc/27/18/85/180271885.db2.gz OSZWFECIQJQWCE-NRXISQOPSA-N 2 0 282.428 2.264 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N[C@H](C)C(C)C)CC1 ZINC000091870096 180277185 /nfs/dbraw/zinc/27/71/85/180277185.db2.gz DGWWFSFUNIJZAX-QQFBHYJXSA-N 2 0 297.487 2.390 10 0 CEAERP C[C@](O)([C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091907932 180283831 /nfs/dbraw/zinc/28/38/31/180283831.db2.gz JYCUXHBMUMDTFM-HIFRSBDPSA-N 2 0 268.445 2.282 10 0 CEAERP CC[N@@H+]1CCO[C@@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000092060196 180314867 /nfs/dbraw/zinc/31/48/67/180314867.db2.gz LTYQPZVJKKHTJR-OAHLLOKOSA-N 2 0 279.428 2.097 10 0 CEAERP CC[NH2+]Cc1nc(C)ccc1OCC[NH+](CC)CC ZINC000091994867 180300768 /nfs/dbraw/zinc/30/07/68/180300768.db2.gz OSWOTDDYJLQACA-UHFFFAOYSA-N 2 0 265.401 2.220 10 0 CEAERP Cc1ccc(OCC[NH+]2CCCCC2)c(C[C@H](C)[NH3+])n1 ZINC000092000171 180303681 /nfs/dbraw/zinc/30/36/81/180303681.db2.gz CQYYDUGNFSTGQS-ZDUSSCGKSA-N 2 0 277.412 2.144 10 0 CEAERP C[C@H]([NH3+])c1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001843 180303945 /nfs/dbraw/zinc/30/39/45/180303945.db2.gz MAASQCLTXZHHGH-MJBXVCDLSA-N 2 0 259.397 2.379 10 0 CEAERP C[C@H](CC(N)=[NH2+])[N@H+](C)Cc1ccnc2ccccc12 ZINC000092348156 180367584 /nfs/dbraw/zinc/36/75/84/180367584.db2.gz ZAQVBFXVYSSLFD-LLVKDONJSA-N 2 0 256.353 2.381 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000092419228 180382257 /nfs/dbraw/zinc/38/22/57/180382257.db2.gz QPMROMMPJPJRFO-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP Cc1cccc(C[NH+]2CCC(C[NH2+]C3CC3)CC2)n1 ZINC000092430101 180384585 /nfs/dbraw/zinc/38/45/85/180384585.db2.gz DBDFTGQGYUJFBC-UHFFFAOYSA-N 2 0 259.397 2.354 10 0 CEAERP CC(C)c1ccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000107911917 186197206 /nfs/dbraw/zinc/19/72/06/186197206.db2.gz PHNUSXPGGXRXKF-YOEHRIQHSA-N 2 0 275.440 2.446 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2sccc2C)CC[N@@H+]1C ZINC000107919712 186197845 /nfs/dbraw/zinc/19/78/45/186197845.db2.gz SXWHXULIQPPVRV-OLZOCXBDSA-N 2 0 267.442 2.082 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCOC2)CC1 ZINC000109544614 186261467 /nfs/dbraw/zinc/26/14/67/186261467.db2.gz LZPAYZLMFJLWAA-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2ccccc2C)CC1 ZINC000109463183 186254100 /nfs/dbraw/zinc/25/41/00/186254100.db2.gz UIDWFIGJGVZFPE-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](Cc2ccccc2C)CC1 ZINC000109463185 186254376 /nfs/dbraw/zinc/25/43/76/186254376.db2.gz UIDWFIGJGVZFPE-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP Cc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1C[NH2+]CC(C)C ZINC000110275333 186289284 /nfs/dbraw/zinc/28/92/84/186289284.db2.gz CQXQESZWRIPIDN-CYBMUJFWSA-N 2 0 296.484 2.337 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1C[NH+]2CCC1CC2 ZINC000110629271 186307158 /nfs/dbraw/zinc/30/71/58/186307158.db2.gz CMHCRUBJJZUHPK-CYBMUJFWSA-N 2 0 290.342 2.033 10 0 CEAERP CCC[NH2+]Cc1ccoc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110921502 186332896 /nfs/dbraw/zinc/33/28/96/186332896.db2.gz HXEZUKMWUFETCN-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[N@@H+]1CCN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)C[C@@H]1C ZINC000110694751 186313382 /nfs/dbraw/zinc/31/33/82/186313382.db2.gz BPGFXGFTEUDYKP-QWHCGFSZSA-N 2 0 290.411 2.264 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705147 186314650 /nfs/dbraw/zinc/31/46/50/186314650.db2.gz XLUBEWODOHONKA-YPMHNXCESA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC000110710108 186315255 /nfs/dbraw/zinc/31/52/55/186315255.db2.gz RXAGXXIJUPPLDH-CVEARBPZSA-N 2 0 291.439 2.029 10 0 CEAERP CC[C@H]1CN(Cc2cc(C[NH2+]C(C)(C)C)no2)CC[N@@H+]1C ZINC000110753939 186319754 /nfs/dbraw/zinc/31/97/54/186319754.db2.gz CHOZGXYIFKJKFR-AWEZNQCLSA-N 2 0 294.443 2.089 10 0 CEAERP C[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@@H+]1C ZINC000110751281 186320955 /nfs/dbraw/zinc/32/09/55/186320955.db2.gz ITXUMSYPIWCJGF-CQSZACIVSA-N 2 0 273.424 2.075 10 0 CEAERP C[N@@H+]1CCC[C@H]1CCOc1ccc(F)cc1C[NH3+] ZINC000111028556 186346298 /nfs/dbraw/zinc/34/62/98/186346298.db2.gz KVSMCZJIJAAZMR-ZDUSSCGKSA-N 2 0 252.333 2.148 10 0 CEAERP CCC[NH2+]Cc1nc(CN(C)CCC[NH+](C)C)cs1 ZINC000111150160 186360935 /nfs/dbraw/zinc/36/09/35/186360935.db2.gz GCRMVFXGFUOCNH-UHFFFAOYSA-N 2 0 284.473 2.026 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000111133336 186355815 /nfs/dbraw/zinc/35/58/15/186355815.db2.gz UBPXFSCPQRKCMU-ZBFHGGJFSA-N 2 0 269.477 2.414 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1C)N(C)CC[NH+](C)C ZINC000111129657 186355873 /nfs/dbraw/zinc/35/58/73/186355873.db2.gz PPMHYAGZSNTEGG-HOTGVXAUSA-N 2 0 263.429 2.267 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111130650 186356392 /nfs/dbraw/zinc/35/63/92/186356392.db2.gz MLGBYWNEYRQNBK-KGLIPLIRSA-N 2 0 269.458 2.410 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC[NH+](C)C ZINC000111130199 186356656 /nfs/dbraw/zinc/35/66/56/186356656.db2.gz ZFUBLZJLNGASBA-BXUZGUMPSA-N 2 0 269.820 2.222 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131483 186356816 /nfs/dbraw/zinc/35/68/16/186356816.db2.gz LTXIZZAVXRLXKA-WFASDCNBSA-N 2 0 267.392 2.098 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N(C)CC[NH+](C)C ZINC000111135472 186357756 /nfs/dbraw/zinc/35/77/56/186357756.db2.gz DLQIBUCPECAJGO-ZBFHGGJFSA-N 2 0 263.429 2.219 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccccc1OCC ZINC000111134783 186357761 /nfs/dbraw/zinc/35/77/61/186357761.db2.gz HOYLRSFCDRBXBH-MRXNPFEDSA-N 2 0 293.455 2.229 10 0 CEAERP C[NH+](C)CCC[N@H+](C)[C@@H](CC(N)=S)c1ccccc1 ZINC000111137526 186358121 /nfs/dbraw/zinc/35/81/21/186358121.db2.gz MUJKFSCVMXRLJF-AWEZNQCLSA-N 2 0 279.453 2.287 10 0 CEAERP CC[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146913 186358359 /nfs/dbraw/zinc/35/83/59/186358359.db2.gz BDXPTJQCJAUMEX-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP CC(C)[NH2+]C[C@H](c1ccccc1)N(C)CC[NH+](C)C ZINC000111149519 186358577 /nfs/dbraw/zinc/35/85/77/186358577.db2.gz HFKLDXXAAOFSCZ-MRXNPFEDSA-N 2 0 263.429 2.219 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(Cl)c(C[NH2+]C2CC2)n1 ZINC000111149289 186359026 /nfs/dbraw/zinc/35/90/26/186359026.db2.gz PBEHTVYHLGWFLL-UHFFFAOYSA-N 2 0 296.846 2.375 10 0 CEAERP CN(CC[C@H]([NH3+])c1ccccc1Cl)CC[NH+](C)C ZINC000111147400 186359491 /nfs/dbraw/zinc/35/94/91/186359491.db2.gz UVJZRMIFXRNFBD-AWEZNQCLSA-N 2 0 269.820 2.223 10 0 CEAERP CC[NH2+]Cc1cc(N(C)CC[NH+](C)C)c2ccccc2n1 ZINC000111149129 186359545 /nfs/dbraw/zinc/35/95/45/186359545.db2.gz YBJGFHZTQZOEOI-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP CC[NH2+]Cc1cc2ccccc2c(N(C)CC[NH+](C)C)n1 ZINC000111149038 186359646 /nfs/dbraw/zinc/35/96/46/186359646.db2.gz RFYYMSCPRBOBLE-UHFFFAOYSA-N 2 0 286.423 2.342 10 0 CEAERP C[N@H+](C[C@H]1CCCOC1)C[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000111171776 186364726 /nfs/dbraw/zinc/36/47/26/186364726.db2.gz NKSSGKCLGUEIKG-ILXRZTDVSA-N 2 0 254.418 2.252 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccc2)CCCOC1 ZINC000111324141 186396632 /nfs/dbraw/zinc/39/66/32/186396632.db2.gz WYJBYVTYLPAXMK-MRXNPFEDSA-N 2 0 262.397 2.135 10 0 CEAERP C[NH2+]C[C@@]1(C[NH+]2CCCCCCC2)CCCOC1 ZINC000111324479 186398601 /nfs/dbraw/zinc/39/86/01/186398601.db2.gz CAVUKCVQASQPKF-OAHLLOKOSA-N 2 0 254.418 2.269 10 0 CEAERP CC1CCC([N@H+](C)C[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000111328198 186399536 /nfs/dbraw/zinc/39/95/36/186399536.db2.gz CGZDNJZBMARUKV-NRXISQOPSA-N 2 0 254.418 2.252 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000111709573 186449071 /nfs/dbraw/zinc/44/90/71/186449071.db2.gz UNZLLSNPZQQXKR-SOUVJXGZSA-N 2 0 297.487 2.390 10 0 CEAERP c1ccc([C@@H]2C[C@H]2[NH2+]CCCOC2CC[NH2+]CC2)cc1 ZINC000111803671 186459113 /nfs/dbraw/zinc/45/91/13/186459113.db2.gz AEADCWMYVPJXBV-DLBZAZTESA-N 2 0 274.408 2.291 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccncc3Br)C[C@@H]12 ZINC000629520423 351386427 /nfs/dbraw/zinc/38/64/27/351386427.db2.gz VZQQSDBZQKEJTF-UFGOTCBOSA-N 2 0 296.212 2.013 10 0 CEAERP C[N@@H+](Cc1ccnc(Br)c1)CC1CC[NH2+]CC1 ZINC000095071336 364331155 /nfs/dbraw/zinc/33/11/55/364331155.db2.gz DSRVOHKGOUQHBK-UHFFFAOYSA-N 2 0 298.228 2.276 10 0 CEAERP CC[C@](C)(O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348331095 369007309 /nfs/dbraw/zinc/00/73/09/369007309.db2.gz ZKRQDYUVAICEAQ-BZSNNMDCSA-N 2 0 288.435 2.211 10 0 CEAERP C[C@@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@@H]1C[NH3+] ZINC000634999022 369031012 /nfs/dbraw/zinc/03/10/12/369031012.db2.gz OZDFCFMVIMNFBE-DOMZBBRYSA-N 2 0 274.408 2.427 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588180 371664265 /nfs/dbraw/zinc/66/42/65/371664265.db2.gz KAWQKENHNMRJPA-NUEKZKHPSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601253 371672721 /nfs/dbraw/zinc/67/27/21/371672721.db2.gz BSCSHSJNURZPPY-DJIMGWMZSA-N 2 0 282.391 2.041 10 0 CEAERP c1ccc(C[N@H+]2CC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545740 371641493 /nfs/dbraw/zinc/64/14/93/371641493.db2.gz KHJLJPIPOCLPJY-ROUUACIJSA-N 2 0 287.451 2.240 10 0 CEAERP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261705943 371707064 /nfs/dbraw/zinc/70/70/64/371707064.db2.gz IYYWYKYXPCFQIV-HRCADAONSA-N 2 0 274.408 2.351 10 0 CEAERP FC(F)(F)C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262043120 371810217 /nfs/dbraw/zinc/81/02/17/371810217.db2.gz YQEWIFZMLJTUCV-QWRGUYRKSA-N 2 0 250.308 2.260 10 0 CEAERP CCC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000134483668 220209607 /nfs/dbraw/zinc/20/96/07/220209607.db2.gz NCSAVKHYUXSMJM-INIZCTEOSA-N 2 0 291.439 2.095 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000094074344 284608440 /nfs/dbraw/zinc/60/84/40/284608440.db2.gz WCEHOTDRJGVZSK-NFOMZHRRSA-N 3 0 255.450 2.356 10 0 CEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+](CC)CC ZINC000093616228 184696268 /nfs/dbraw/zinc/69/62/68/184696268.db2.gz BHAZCIZJEFOZSZ-CABCVRRESA-N 2 0 256.434 2.249 10 0 CEAERP CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCC[NH+](C)C ZINC000094449373 184801848 /nfs/dbraw/zinc/80/18/48/184801848.db2.gz XBLIMTCQKWBUIR-HZPDHXFCSA-N 2 0 267.461 2.133 10 0 CEAERP C[NH+](C)C(C)(C)COc1cccc(Cl)c1C(N)=[NH2+] ZINC000093955187 184745961 /nfs/dbraw/zinc/74/59/61/184745961.db2.gz BSWFHOUMMLMBDF-UHFFFAOYSA-N 2 0 269.776 2.343 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC1(C[NH3+])CCCCCC1 ZINC000094465614 184804950 /nfs/dbraw/zinc/80/49/50/184804950.db2.gz GHJVXHZIDKDTJC-JKSUJKDBSA-N 2 0 279.472 2.454 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCC(C)(C)[C@@H]2O)CC1 ZINC000094289418 184775683 /nfs/dbraw/zinc/77/56/83/184775683.db2.gz NEEGGDVBIOBYAB-JKSUJKDBSA-N 2 0 282.472 2.447 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@H]1CCCC(C)(C)[C@@H]1[NH3+] ZINC000094287601 184776567 /nfs/dbraw/zinc/77/65/67/184776567.db2.gz JZOLDHBZNDMQCY-HUUCEWRRSA-N 2 0 269.477 2.414 10 0 CEAERP CC[NH2+][C@@H]1[C@@H](N2CCC([NH+](C)C)CC2)CCC1(C)C ZINC000094304144 184777557 /nfs/dbraw/zinc/77/75/57/184777557.db2.gz GOUGVLCSTFZAEP-LSDHHAIUSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@H]1[C@@H](N2CC[NH+](C(C)(C)C)CC2)CCC1(C)C ZINC000094304620 184777902 /nfs/dbraw/zinc/77/79/02/184777902.db2.gz NIXVJWNCTVCGDJ-KBPBESRZSA-N 2 0 267.461 2.179 10 0 CEAERP CSC1(C[NH3+])CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094364770 184789857 /nfs/dbraw/zinc/78/98/57/184789857.db2.gz AONWEXBWGAOEOX-CYBMUJFWSA-N 2 0 284.469 2.244 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000094751868 184852827 /nfs/dbraw/zinc/85/28/27/184852827.db2.gz KGBLKHQUKJKGRD-HOTGVXAUSA-N 2 0 295.471 2.227 10 0 CEAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@@H]1CC[NH2+]C1 ZINC000400529856 533504064 /nfs/dbraw/zinc/50/40/64/533504064.db2.gz RHUVTOCESSPPDG-OUCADQQQSA-N 2 0 276.380 2.106 10 0 CEAERP Cc1cc(N2CCC[C@H]([NH+](C)C)C2)ccc1C[C@H](C)[NH3+] ZINC000091432413 135069860 /nfs/dbraw/zinc/06/98/60/135069860.db2.gz GRLIFIYYTHEEMR-YOEHRIQHSA-N 2 0 275.440 2.415 10 0 CEAERP C[C@H]([NH3+])Cc1cc(F)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444548 135089077 /nfs/dbraw/zinc/08/90/77/135089077.db2.gz OTGLWJMBUGMPGN-XJKSGUPXSA-N 2 0 291.414 2.390 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444594 135089092 /nfs/dbraw/zinc/08/90/92/135089092.db2.gz TYBDXCPPGPJQLH-GOEBONIOSA-N 2 0 273.424 2.251 10 0 CEAERP C[C@@H]1C[N@@H+]([C@@H]2CCCC23CCOCC3)C[C@@]1(C)C[NH3+] ZINC000311379235 394537223 /nfs/dbraw/zinc/53/72/23/394537223.db2.gz ARHLVOSRZUHUII-RBSFLKMASA-N 2 0 266.429 2.252 10 0 CEAERP C[C@@H]1C[N@@H+]([C@@H]2CCCc3cccnc32)C[C@@]1(C)C[NH3+] ZINC000382434053 395182197 /nfs/dbraw/zinc/18/21/97/395182197.db2.gz MPNZLIDQMXPDCO-XNRPHZJLSA-N 2 0 259.397 2.376 10 0 CEAERP FC(F)(F)c1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000398310707 395233717 /nfs/dbraw/zinc/23/37/17/395233717.db2.gz KXSGBAMJFNPHPY-LLVKDONJSA-N 2 0 258.287 2.405 10 0 CEAERP O[C@@H]1CCC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000383358405 395185987 /nfs/dbraw/zinc/18/59/87/395185987.db2.gz DGMRTFVEGUSYAA-NVXWUHKLSA-N 2 0 280.456 2.488 10 0 CEAERP CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263263052 154044259 /nfs/dbraw/zinc/04/42/59/154044259.db2.gz REXYOWYEQXLPJA-CCGTUFIJSA-N 2 0 288.435 2.057 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)cc1 ZINC000020179542 171044551 /nfs/dbraw/zinc/04/45/51/171044551.db2.gz OOKYUTPYTGTADY-GOSISDBHSA-N 2 0 287.451 2.276 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(NCCC[NH+]1CCCCC1)C2 ZINC000020523990 171237058 /nfs/dbraw/zinc/23/70/58/171237058.db2.gz GDGVYXBHGBXADC-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP CN(Cc1cccs1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000035717127 172371103 /nfs/dbraw/zinc/37/11/03/172371103.db2.gz SGISAYDFOPYOAI-NNQSOWQGSA-N 2 0 279.453 2.134 10 0 CEAERP CC[NH+](CC)CCN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000037209807 173032203 /nfs/dbraw/zinc/03/22/03/173032203.db2.gz SOMSMUVYAVPKIB-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490788 173232481 /nfs/dbraw/zinc/23/24/81/173232481.db2.gz QCJUWAJXACVIAO-KFWWJZLASA-N 2 0 256.434 2.390 10 0 CEAERP CC[NH+]1CCC(N[C@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098049 174112680 /nfs/dbraw/zinc/11/26/80/174112680.db2.gz RKFMIEFCFBFHFB-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+][C@H]1CCCCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431782 174260395 /nfs/dbraw/zinc/26/03/95/174260395.db2.gz MDTUPPSUWVNLPG-ZWKOTPCHSA-N 2 0 287.451 2.464 10 0 CEAERP CCN1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](CC)CC2)C1 ZINC000040502624 174298757 /nfs/dbraw/zinc/29/87/57/174298757.db2.gz BXBIIJNMQPNCCI-GOEBONIOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508121 174303092 /nfs/dbraw/zinc/30/30/92/174303092.db2.gz CNGGNLWSVBAXBO-BZUAXINKSA-N 2 0 295.471 2.097 10 0 CEAERP CCOC1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000040678501 174374923 /nfs/dbraw/zinc/37/49/23/174374923.db2.gz JMXXDVZRDXMIGS-ZFWWWQNUSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694416 174378036 /nfs/dbraw/zinc/37/80/36/174378036.db2.gz ZHZDICPTPPCJPU-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP [NH3+]C1(CN2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000040694486 174378348 /nfs/dbraw/zinc/37/83/48/174378348.db2.gz TZUTYOMDIVLMPF-UHFFFAOYSA-N 2 0 265.445 2.208 10 0 CEAERP Cc1nc(CN[C@@H](C[NH+](C)C)c2ccccc2)[nH]c1C ZINC000657298918 414843535 /nfs/dbraw/zinc/84/35/35/414843535.db2.gz YDDIXSWVNVAXCD-HNNXBMFYSA-N 2 0 272.396 2.419 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000042615713 174828740 /nfs/dbraw/zinc/82/87/40/174828740.db2.gz CJNNLHWEPXJHSC-INIZCTEOSA-N 2 0 261.413 2.103 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042744894 174864285 /nfs/dbraw/zinc/86/42/85/174864285.db2.gz AFNMVCZNUIZHFT-MRXNPFEDSA-N 2 0 281.419 2.345 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(C)c2C)CC1 ZINC000043314469 175003919 /nfs/dbraw/zinc/00/39/19/175003919.db2.gz QIKZNYKPZGIHQV-KRWDZBQOSA-N 2 0 275.440 2.331 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CCC([NH+](C)C)CC2)c1C ZINC000043314686 175004372 /nfs/dbraw/zinc/00/43/72/175004372.db2.gz XBTPLFNOLGXLHX-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335715 175010963 /nfs/dbraw/zinc/01/09/63/175010963.db2.gz GSQYHIDJBBYEJA-ZFWWWQNUSA-N 2 0 279.428 2.474 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](C(C)C)CC2)o1 ZINC000043364364 175024653 /nfs/dbraw/zinc/02/46/53/175024653.db2.gz IAHSRWDGADCDGV-UKRRQHHQSA-N 2 0 265.401 2.002 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](CCC)CC1)C(C)(C)C ZINC000043805609 175107460 /nfs/dbraw/zinc/10/74/60/175107460.db2.gz GBOFXNYBLZIZLT-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815349 175112566 /nfs/dbraw/zinc/11/25/66/175112566.db2.gz ASIDSLZKTLAGCK-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818521 175113225 /nfs/dbraw/zinc/11/32/25/175113225.db2.gz VNROVPZVNPUKOT-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970570 175131816 /nfs/dbraw/zinc/13/18/16/175131816.db2.gz QQHBXIFCJJANNE-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970626 175132162 /nfs/dbraw/zinc/13/21/62/175132162.db2.gz JEDRHMWTXZKDNZ-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000045373379 175365069 /nfs/dbraw/zinc/36/50/69/175365069.db2.gz WFSJTSYIBUAUBD-UXLLHSPISA-N 2 0 297.487 2.378 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374835 175365802 /nfs/dbraw/zinc/36/58/02/175365802.db2.gz BAUDCFWFPIJXCL-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCC1 ZINC000045384758 175372493 /nfs/dbraw/zinc/37/24/93/175372493.db2.gz NIQTXPJRSNADGU-INIZCTEOSA-N 2 0 281.444 2.027 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045421016 175379560 /nfs/dbraw/zinc/37/95/60/175379560.db2.gz LBIGAEWAWMJUHA-WFASDCNBSA-N 2 0 272.433 2.414 10 0 CEAERP CC(C)[C@@H]1C[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CCO1 ZINC000070368361 175897861 /nfs/dbraw/zinc/89/78/61/175897861.db2.gz SVPKRZBYZSRMNE-SNPRPXQTSA-N 2 0 254.418 2.249 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071038104 176026634 /nfs/dbraw/zinc/02/66/34/176026634.db2.gz ATOKZROJTGIASE-ZBFHGGJFSA-N 2 0 295.471 2.240 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071091560 176031814 /nfs/dbraw/zinc/03/18/14/176031814.db2.gz AAYAHVCXUIUNBZ-QGZVFWFLSA-N 2 0 274.408 2.361 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C(C)C)CC2)C1 ZINC000071123426 176034778 /nfs/dbraw/zinc/03/47/78/176034778.db2.gz YIILNGOWFABQQC-JKSUJKDBSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000071161678 176046472 /nfs/dbraw/zinc/04/64/72/176046472.db2.gz OGLFIUIQZDGOCU-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)C1(C[NH3+])CCCCCCC1 ZINC000071188561 176062503 /nfs/dbraw/zinc/06/25/03/176062503.db2.gz XCKWCHHIPJEWBS-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000071188452 176062709 /nfs/dbraw/zinc/06/27/09/176062709.db2.gz ILURUCSGTVNLHA-NHYWBVRUSA-N 2 0 299.821 2.362 10 0 CEAERP Cc1ccc(C)c([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188748 176063604 /nfs/dbraw/zinc/06/36/04/176063604.db2.gz WKODBTBTILBNJR-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP C[C@H]([NH3+])c1c(F)cccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189394 176064875 /nfs/dbraw/zinc/06/48/75/176064875.db2.gz WPIBIPGHDGOWEY-NWDGAFQWSA-N 2 0 265.376 2.233 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191426 176070536 /nfs/dbraw/zinc/07/05/36/176070536.db2.gz UYJPXZKFRIMGFT-WBVHZDCISA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191438 176070627 /nfs/dbraw/zinc/07/06/27/176070627.db2.gz OGHQLUZJYFJLMB-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191950 176070998 /nfs/dbraw/zinc/07/09/98/176070998.db2.gz KHJQIAVTNZWMEK-CQSZACIVSA-N 2 0 291.439 2.224 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192070 176073615 /nfs/dbraw/zinc/07/36/15/176073615.db2.gz SOWGAQMXSUDHPZ-CQSZACIVSA-N 2 0 279.428 2.081 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1C[NH3+])[C@H]1CCSC1 ZINC000071250315 176094812 /nfs/dbraw/zinc/09/48/12/176094812.db2.gz ZCKXUBLTAOMLED-ZDUSSCGKSA-N 2 0 254.374 2.222 10 0 CEAERP C[N@@H+](Cc1ccc(F)cc1C[NH3+])CC1CC[NH+](C)CC1 ZINC000071263718 176096723 /nfs/dbraw/zinc/09/67/23/176096723.db2.gz NDPUPYSEIQVHIY-UHFFFAOYSA-N 3 0 279.403 2.058 10 0 CEAERP [NH2+]=C1c2cc(F)ccc2CN1CCC[NH+]1CCCC1 ZINC000071269253 176103015 /nfs/dbraw/zinc/10/30/15/176103015.db2.gz DLLDTNXAELSQML-UHFFFAOYSA-N 2 0 261.344 2.453 10 0 CEAERP CCC[NH2+]CCCCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071290062 176110638 /nfs/dbraw/zinc/11/06/38/176110638.db2.gz OZJMBTXUSSXZDB-INIZCTEOSA-N 3 0 269.477 2.430 10 0 CEAERP CCOC(=O)CCCCC[NH2+][C@@H](C)CC[NH+](C)C ZINC000071293870 176111699 /nfs/dbraw/zinc/11/16/99/176111699.db2.gz RPESXFHCFDXOJP-ZDUSSCGKSA-N 2 0 258.406 2.040 10 0 CEAERP C[NH+](C)CCOc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399566 176152163 /nfs/dbraw/zinc/15/21/63/176152163.db2.gz DSXPDNQPSAISLY-UHFFFAOYSA-N 2 0 276.302 2.147 10 0 CEAERP CC[N@H+](CCC[C@H]([NH3+])c1ccccc1)CCOC ZINC000071401853 176153744 /nfs/dbraw/zinc/15/37/44/176153744.db2.gz SIDWCESQRZXPFP-HNNXBMFYSA-N 2 0 250.386 2.435 10 0 CEAERP CC[C@H]1CN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)CC[N@@H+]1C ZINC000079294323 177465777 /nfs/dbraw/zinc/46/57/77/177465777.db2.gz BZLBDGSZMRIWQY-GJZGRUSLSA-N 2 0 297.487 2.330 10 0 CEAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136334273 419444141 /nfs/dbraw/zinc/44/41/41/419444141.db2.gz OWZYJQPNJVOTQL-ZDUSSCGKSA-N 2 0 293.411 2.069 10 0 CEAERP OCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000423007354 270818860 /nfs/dbraw/zinc/81/88/60/270818860.db2.gz QKOYJDDGNVPYMV-LSDHHAIUSA-N 2 0 254.418 2.049 10 0 CEAERP CC(C)C[NH2+]CC1CC[NH+](CCOC(C)C)CC1 ZINC000053660806 519743259 /nfs/dbraw/zinc/74/32/59/519743259.db2.gz PVUSBORDJZFQEW-UHFFFAOYSA-N 2 0 256.434 2.369 10 0 CEAERP CCCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000052374052 519901731 /nfs/dbraw/zinc/90/17/31/519901731.db2.gz CPFSXAJREIALTA-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)[C@H](C)COC)CCOCC1 ZINC000052182332 519909318 /nfs/dbraw/zinc/90/93/18/519909318.db2.gz QSEHKMRFHVVPBT-OAHLLOKOSA-N 2 0 286.460 2.140 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCC)C2CC2)O1 ZINC000052449230 519924137 /nfs/dbraw/zinc/92/41/37/519924137.db2.gz HBEPEUBKHQQUIT-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417529 519977252 /nfs/dbraw/zinc/97/72/52/519977252.db2.gz XVANIWHLFFYMTB-CVEARBPZSA-N 2 0 262.397 2.276 10 0 CEAERP CCC[NH2+][C@@H](C)CCN1CC[NH+](CC(C)C)CC1 ZINC000055079402 519986941 /nfs/dbraw/zinc/98/69/41/519986941.db2.gz RRNPASPOMLBFFR-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643710 520217706 /nfs/dbraw/zinc/21/77/06/520217706.db2.gz NPFLTJJQIWKYMC-WCVJEAGWSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccc(C[NH2+]C)o1 ZINC000052547283 522092903 /nfs/dbraw/zinc/09/29/03/522092903.db2.gz VHXCJWVPZRJTPB-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](C(C)(C)C)CC2)oc1C ZINC000052571619 522107027 /nfs/dbraw/zinc/10/70/27/522107027.db2.gz APPYWKJGZNBOST-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP COC[C@@H](C)[N@H+](C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000052182490 522216865 /nfs/dbraw/zinc/21/68/65/522216865.db2.gz LVNDVZRBRUXPDM-CQSZACIVSA-N 2 0 286.460 2.138 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2ncccc2C[NH2+]C2CC2)CC1 ZINC000051518965 518712359 /nfs/dbraw/zinc/71/23/59/518712359.db2.gz YPIUYDUKUIHOKO-UHFFFAOYSA-N 2 0 288.439 2.254 10 0 CEAERP CC(C)(C)[NH2+]CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000052418539 518755812 /nfs/dbraw/zinc/75/58/12/518755812.db2.gz FRAYJYMTIRHVQI-UHFFFAOYSA-N 2 0 290.455 2.372 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052883063 519617026 /nfs/dbraw/zinc/61/70/26/519617026.db2.gz RPWDEJDVRHFQRY-QGZVFWFLSA-N 2 0 291.439 2.097 10 0 CEAERP CC(C)[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052480009 519682350 /nfs/dbraw/zinc/68/23/50/519682350.db2.gz OZCBYQFDNFEKMA-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571555 519724444 /nfs/dbraw/zinc/72/44/44/519724444.db2.gz RPLWSXDXBDWKLB-OAHLLOKOSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507639 519725304 /nfs/dbraw/zinc/72/53/04/519725304.db2.gz TYVYZWKKNWFRKT-PMPSAXMXSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC000061654221 519726811 /nfs/dbraw/zinc/72/68/11/519726811.db2.gz ATGCUECXRXQIRO-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])[C@H](C)c2ccccc2)CC1 ZINC000055078038 519727681 /nfs/dbraw/zinc/72/76/81/519727681.db2.gz RIQFCSWFXOTMAD-AEFFLSMTSA-N 2 0 289.467 2.391 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055082976 519727830 /nfs/dbraw/zinc/72/78/30/519727830.db2.gz LAXLDUBUPCUVBS-MRXNPFEDSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794311 519728682 /nfs/dbraw/zinc/72/86/82/519728682.db2.gz PTVOFDSOPWHUBQ-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419756 519745584 /nfs/dbraw/zinc/74/55/84/519745584.db2.gz XUQVFZBCFTUFBQ-MRXNPFEDSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950248 519776548 /nfs/dbraw/zinc/77/65/48/519776548.db2.gz FOIWOSHPFHDYNO-CABCVRRESA-N 2 0 283.460 2.001 10 0 CEAERP CC(C)Oc1ccc([C@@H]([NH3+])CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062964847 519781611 /nfs/dbraw/zinc/78/16/11/519781611.db2.gz SUTMGMCQTDFCMP-RDJZCZTQSA-N 2 0 291.439 2.110 10 0 CEAERP CC(C)Oc1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062964519 519781716 /nfs/dbraw/zinc/78/17/16/519781716.db2.gz XRYOOJWCJJREDN-DOTOQJQBSA-N 2 0 291.439 2.110 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C)COC)CC1 ZINC000045657254 519847695 /nfs/dbraw/zinc/84/76/95/519847695.db2.gz WFVXFVBFQYSITF-KBPBESRZSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1C[NH+]2CCC1CC2 ZINC000054601376 519907803 /nfs/dbraw/zinc/90/78/03/519907803.db2.gz XFYREPLVDIAJGU-HQSKLWIPSA-N 2 0 291.483 2.466 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC000054602481 519909539 /nfs/dbraw/zinc/90/95/39/519909539.db2.gz VFOFFVUPFUOWQZ-MGNMYUMUSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC000054602707 519910033 /nfs/dbraw/zinc/91/00/33/519910033.db2.gz GEHFZCQZQSATPK-ALOPSCKCSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]CC(C)(C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072121 519912025 /nfs/dbraw/zinc/91/20/25/519912025.db2.gz RSVBYKWYSKKPDW-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CCO)C2CCCCC2)CCOCC1 ZINC000052183193 519912529 /nfs/dbraw/zinc/91/25/29/519912529.db2.gz IGXOFARIAPTJIC-UHFFFAOYSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CC)CCOCC1 ZINC000052180405 519912998 /nfs/dbraw/zinc/91/29/98/519912998.db2.gz AKUMMWIHVYKJSX-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CCC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082916 519920127 /nfs/dbraw/zinc/92/01/27/519920127.db2.gz OQOJYQGGSIAUDJ-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484162 519920254 /nfs/dbraw/zinc/92/02/54/519920254.db2.gz PBEKEISDZLXXQD-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]Cc1cc(C[NH+](CCOC)CCOC)c(C)o1 ZINC000052571507 519946276 /nfs/dbraw/zinc/94/62/76/519946276.db2.gz SAJWTNDBOMSBNF-UHFFFAOYSA-N 2 0 298.427 2.182 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N(C)CC[NH+]1CCCC1 ZINC000063054079 519948675 /nfs/dbraw/zinc/94/86/75/519948675.db2.gz PMSOFHQYCIROIN-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)Cc2ccccc2C)CCOC1 ZINC000051256425 519958179 /nfs/dbraw/zinc/95/81/79/519958179.db2.gz JHJMUEGJUTUKJM-QGZVFWFLSA-N 2 0 276.424 2.443 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccsc2)O1 ZINC000052457382 519977153 /nfs/dbraw/zinc/97/71/53/519977153.db2.gz WNRHAEJJTIRMOK-KGLIPLIRSA-N 2 0 268.426 2.337 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417527 519978943 /nfs/dbraw/zinc/97/89/43/519978943.db2.gz XVANIWHLFFYMTB-HZPDHXFCSA-N 2 0 262.397 2.276 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542305 519979635 /nfs/dbraw/zinc/97/96/35/519979635.db2.gz JLTCPMZODCJXHM-HZPDHXFCSA-N 2 0 292.423 2.284 10 0 CEAERP CC[NH2+]Cc1ccc(COCCC[NH+](C)C)cc1 ZINC000052672602 519997550 /nfs/dbraw/zinc/99/75/50/519997550.db2.gz CAJLLFPFWLDFQL-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CC[NH+](C(C)C)CC2)c1 ZINC000052480015 520004884 /nfs/dbraw/zinc/00/48/84/520004884.db2.gz DAESOHVCMXYIMY-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000052419936 520007088 /nfs/dbraw/zinc/00/70/88/520007088.db2.gz HNYKSOPZYMSREE-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061270504 520068406 /nfs/dbraw/zinc/06/84/06/520068406.db2.gz ZTESHGGVZZGDLC-LBPRGKRZSA-N 2 0 293.411 2.083 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643369 520070583 /nfs/dbraw/zinc/07/05/83/520070583.db2.gz HHRSXOMJTHLBRY-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079130 520081792 /nfs/dbraw/zinc/08/17/92/520081792.db2.gz IUARQHIMRJALOA-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](CCN1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062970135 520088281 /nfs/dbraw/zinc/08/82/81/520088281.db2.gz BKKXQVALRRBUKH-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000053873037 520092684 /nfs/dbraw/zinc/09/26/84/520092684.db2.gz TZHKVFKGDLOZCH-SJORKVTESA-N 3 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940588 520122847 /nfs/dbraw/zinc/12/28/47/520122847.db2.gz AMLLRLFRCHKOKI-VQHPVUNQSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[NH+]1CCC(O)CC1 ZINC000054559438 520220111 /nfs/dbraw/zinc/22/01/11/520220111.db2.gz RJGNQFHPBYIITM-UXLLHSPISA-N 2 0 282.472 2.494 10 0 CEAERP CCO[C@H](C[NH3+])C[N@H+](CC)Cc1ccccc1C ZINC000062739590 520517435 /nfs/dbraw/zinc/51/74/35/520517435.db2.gz DWGNQDHLFGMYGO-OAHLLOKOSA-N 2 0 250.386 2.181 10 0 CEAERP CC[NH+](CC)CCOc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804511 520699375 /nfs/dbraw/zinc/69/93/75/520699375.db2.gz JPBYBXOXDIPXMB-AWEZNQCLSA-N 2 0 264.369 2.060 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CCCC[NH2+]C(C)C)C1 ZINC000062972329 520847368 /nfs/dbraw/zinc/84/73/68/520847368.db2.gz ZRFNZQZSHFULQL-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2cc(C)ccc2C(N)=[NH2+])C1 ZINC000062980548 520849557 /nfs/dbraw/zinc/84/95/57/520849557.db2.gz UQHBSCKQMXJUGH-CYBMUJFWSA-N 2 0 274.412 2.200 10 0 CEAERP CCC[C@H](CN1CC[NH+](CC(C)C)CC1)[NH2+]CC ZINC000055078656 521099406 /nfs/dbraw/zinc/09/94/06/521099406.db2.gz BYFBJTKHEJXATG-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(C)(C)[N@H+](C)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000069443609 521304846 /nfs/dbraw/zinc/30/48/46/521304846.db2.gz BKYPRNWGBKNMAQ-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP CCN1CCC([N@H+](C)Cc2ccccc2C[NH2+]C)CC1 ZINC000052544069 521563596 /nfs/dbraw/zinc/56/35/96/521563596.db2.gz IJHOMDQDKGNVNB-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](CN(C)C)C(C)C)CC1 ZINC000049197573 521585427 /nfs/dbraw/zinc/58/54/27/521585427.db2.gz OKAUTXVAPSOQSL-GDBMZVCRSA-N 2 0 269.477 2.283 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000164387140 521617328 /nfs/dbraw/zinc/61/73/28/521617328.db2.gz MQOOFRNOOFSCND-HOTGVXAUSA-N 2 0 295.471 2.003 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](CC[NH3+])c1ccccc1 ZINC000061642579 521843337 /nfs/dbraw/zinc/84/33/37/521843337.db2.gz MGUZIWXBJFSQNA-HOTGVXAUSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1ccoc1C[NH2+]C1CC1 ZINC000061654417 521870400 /nfs/dbraw/zinc/87/04/00/521870400.db2.gz GWTORLAVAKWSLD-OAHLLOKOSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)Cc2cccc(C)c2)CCOCC1 ZINC000052198213 521966062 /nfs/dbraw/zinc/96/60/62/521966062.db2.gz GADNZHMLEVJAEH-UHFFFAOYSA-N 2 0 276.424 2.443 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)on1 ZINC000052513708 522104206 /nfs/dbraw/zinc/10/42/06/522104206.db2.gz WYWJVPSYPBMEEI-DGCLKSJQSA-N 2 0 251.374 2.405 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055074999 522119768 /nfs/dbraw/zinc/11/97/68/522119768.db2.gz SHXZPIGAWYBECI-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064087 522130390 /nfs/dbraw/zinc/13/03/90/522130390.db2.gz LBBVFGQRRLFVOF-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP C[NH2+]Cc1cccc(OCC[N@H+](C)CC(C)C)c1 ZINC000052452658 522133725 /nfs/dbraw/zinc/13/37/25/522133725.db2.gz XJPLHYGXFKVQOS-UHFFFAOYSA-N 2 0 250.386 2.373 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncccc2C[NH2+]C2CC2)CC1 ZINC000055073363 522137459 /nfs/dbraw/zinc/13/74/59/522137459.db2.gz SGURUTHIRNQXFJ-CQSZACIVSA-N 2 0 288.439 2.254 10 0 CEAERP C[NH2+]Cc1occc1C[N@H+](CCOC)CC(C)C ZINC000052508543 522164785 /nfs/dbraw/zinc/16/47/85/522164785.db2.gz IXHRZXKJVZUCFQ-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP CC[C@H](C[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484181 522191746 /nfs/dbraw/zinc/19/17/46/522191746.db2.gz RDDCYFFAYYHLGX-MRXNPFEDSA-N 2 0 279.472 2.467 10 0 CEAERP CC[C@H](C[NH2+]C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417101 522192618 /nfs/dbraw/zinc/19/26/18/522192618.db2.gz BRMUYAXVBPZHLP-GOSISDBHSA-N 2 0 287.451 2.335 10 0 CEAERP COC(=O)c1cccc(C[N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000070181955 522212271 /nfs/dbraw/zinc/21/22/71/522212271.db2.gz QRHOSCYKRDVDEF-JSGCOSHPSA-N 2 0 276.380 2.032 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643403 522484384 /nfs/dbraw/zinc/48/43/84/522484384.db2.gz HLGDMOCEUQNVMR-OIISXLGYSA-N 2 0 275.440 2.362 10 0 CEAERP C[N@H+](CC1(C[NH3+])CCOCC1)C1CCCCCC1 ZINC000052181987 522593121 /nfs/dbraw/zinc/59/31/21/522593121.db2.gz YNDLDDWIEVWVRW-UHFFFAOYSA-N 2 0 254.418 2.397 10 0 CEAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1ccc(Cl)s1 ZINC000061275328 522832367 /nfs/dbraw/zinc/83/23/67/522832367.db2.gz RLJAQIPAGZLSHZ-UHFFFAOYSA-N 2 0 287.860 2.129 10 0 CEAERP C[N@H+](CCOc1ccccc1C[NH2+]C1CC1)C1CC1 ZINC000052445370 522919968 /nfs/dbraw/zinc/91/99/68/522919968.db2.gz RYQVUFTVLKOWGN-UHFFFAOYSA-N 2 0 260.381 2.412 10 0 CEAERP C[N@@H+](Cc1cc(F)ccc1C[NH3+])CC1CC[NH+](C)CC1 ZINC000069401684 523179760 /nfs/dbraw/zinc/17/97/60/523179760.db2.gz UIKGYIWIWLJDFD-UHFFFAOYSA-N 3 0 279.403 2.058 10 0 CEAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000062979118 523368216 /nfs/dbraw/zinc/36/82/16/523368216.db2.gz HDCMBWHGZUOLHG-FXUDXRNXSA-N 2 0 265.445 2.063 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571125 523507036 /nfs/dbraw/zinc/50/70/36/523507036.db2.gz QGXUDVXEZJGVOT-KCQAQPDRSA-N 2 0 254.418 2.406 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571123 523516946 /nfs/dbraw/zinc/51/69/46/523516946.db2.gz QGXUDVXEZJGVOT-GZBFAFLISA-N 2 0 254.418 2.406 10 0 CEAERP CC[C@@H]1CSC(N[C@H](CC(C)C)C[NH+](C)C)=[NH+]1 ZINC000049559157 523520770 /nfs/dbraw/zinc/52/07/70/523520770.db2.gz PDTYFUISSKAAFU-VXGBXAGGSA-N 2 0 257.447 2.434 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]C(C)C)c(C)o1 ZINC000052572807 523620482 /nfs/dbraw/zinc/62/04/82/523620482.db2.gz TUMVCSVXQDVOET-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072505 523954118 /nfs/dbraw/zinc/95/41/18/523954118.db2.gz YSQOFTTZKANLOX-JYJNAYRXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000055064038 523957786 /nfs/dbraw/zinc/95/77/86/523957786.db2.gz SDBKNVAAEVDFKH-KBPBESRZSA-N 2 0 281.469 2.472 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074858 523958209 /nfs/dbraw/zinc/95/82/09/523958209.db2.gz COSMQQBCHYXYEI-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH+](C)C1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024738 524040754 /nfs/dbraw/zinc/04/07/54/524040754.db2.gz QZPDQVNQCOHQCP-OAHLLOKOSA-N 2 0 291.464 2.430 10 0 CEAERP C[NH+](C)C1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786843 524040896 /nfs/dbraw/zinc/04/08/96/524040896.db2.gz HHANDWYNUCUSTJ-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)CCCOCc1c2ccccc2oc1C[NH3+] ZINC000052672383 524058105 /nfs/dbraw/zinc/05/81/05/524058105.db2.gz PHZSYNVDBJWHFQ-UHFFFAOYSA-N 2 0 262.353 2.360 10 0 CEAERP C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000049562076 524160115 /nfs/dbraw/zinc/16/01/15/524160115.db2.gz BXAFIOGCJXEUQG-NEPJUHHUSA-N 2 0 278.400 2.168 10 0 CEAERP C[C@@H]1CCC[N@H+](CCOc2ccc(C(N)=[NH2+])cc2)[C@@H]1C ZINC000050565074 524230765 /nfs/dbraw/zinc/23/07/65/524230765.db2.gz KCJKQDDFUUQNAK-CHWSQXEVSA-N 2 0 275.396 2.470 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH2+]CCN2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061655198 524317076 /nfs/dbraw/zinc/31/70/76/524317076.db2.gz ZXKDMKYONVGOPO-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)OCC[NH+]1CCCCC1 ZINC000052670972 524458909 /nfs/dbraw/zinc/45/89/09/524458909.db2.gz YTDNHWXLEXLBDU-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP C[C@@H](CNC1=[NH+]C(C)(C)CS1)C[NH+]1CCCC1 ZINC000062080198 524734325 /nfs/dbraw/zinc/73/43/25/524734325.db2.gz SYGNFHYHUJPSFV-NSHDSACASA-N 2 0 255.431 2.189 10 0 CEAERP COc1ccccc1[C@@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642144 524744019 /nfs/dbraw/zinc/74/40/19/524744019.db2.gz JSRRIMQRBUZUFZ-JJRVBVJISA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cc(COCC[NH+](C)C)oc1C[NH2+]C(C)C ZINC000052669982 524803916 /nfs/dbraw/zinc/80/39/16/524803916.db2.gz GHUCTVQEETUASV-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642215 524838341 /nfs/dbraw/zinc/83/83/41/524838341.db2.gz BFXXCUHAJXGFTK-MAZHCROVSA-N 2 0 279.403 2.240 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000050578159 525002057 /nfs/dbraw/zinc/00/20/57/525002057.db2.gz YMMDQKJSXXJZKA-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP COc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1C ZINC000050596441 525353254 /nfs/dbraw/zinc/35/32/54/525353254.db2.gz VCNWOILEYUEYRR-INIZCTEOSA-N 2 0 291.439 2.029 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052420724 525383695 /nfs/dbraw/zinc/38/36/95/525383695.db2.gz FWHIHCRUKOCVCS-OKILXGFUSA-N 2 0 293.459 2.144 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643527 525962341 /nfs/dbraw/zinc/96/23/41/525962341.db2.gz GQZGBEYLYADJIC-HZPDHXFCSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061641992 525981009 /nfs/dbraw/zinc/98/10/09/525981009.db2.gz WHARCSLXQPYNEM-GUTXKFCHSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)C)CC2)sc1[C@H](C)[NH3+] ZINC000054895645 526967512 /nfs/dbraw/zinc/96/75/12/526967512.db2.gz AJMNXNRXNRSSGC-JTQLQIEISA-N 2 0 268.430 2.002 10 0 CEAERP [NH3+]C[C@@H]1CC[C@@H](C[NH+]2CCC(Cc3ccccc3)CC2)O1 ZINC000052443905 527218484 /nfs/dbraw/zinc/21/84/84/527218484.db2.gz OSTLHPKKGUYCSM-ROUUACIJSA-N 2 0 288.435 2.447 10 0 CEAERP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000087535124 535341022 /nfs/dbraw/zinc/34/10/22/535341022.db2.gz SHVNOBHSQLFRQL-HNNXBMFYSA-N 2 0 261.413 2.184 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCCCC[NH3+] ZINC000094440849 624145851 /nfs/dbraw/zinc/14/58/51/624145851.db2.gz KIOJIMPLWLOSNC-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000312122717 628135963 /nfs/dbraw/zinc/13/59/63/628135963.db2.gz WQLGIDZYVFRQFF-RBSFLKMASA-N 2 0 286.485 2.097 10 0 CEAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)CC[NH2+]1 ZINC000261557319 628937946 /nfs/dbraw/zinc/93/79/46/628937946.db2.gz CNCHXRSRWVLMAY-KBUPBQIOSA-N 2 0 252.402 2.018 10 0 CEAERP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129106552 651805723 /nfs/dbraw/zinc/80/57/23/651805723.db2.gz AIYKVXQDVPTBRQ-ZIAGYGMSSA-N 2 0 264.417 2.030 10 0 CEAERP CCOC(=O)[C@H](CC)[NH+]1CCC(C[NH2+]C(C)(C)C)CC1 ZINC000084107030 178794096 /nfs/dbraw/zinc/79/40/96/178794096.db2.gz NVSLRARTTYTLNI-AWEZNQCLSA-N 2 0 284.444 2.428 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000085360989 179032811 /nfs/dbraw/zinc/03/28/11/179032811.db2.gz YXPICWMXHZBYCF-HZPDHXFCSA-N 2 0 287.407 2.348 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000085369463 179039196 /nfs/dbraw/zinc/03/91/96/179039196.db2.gz BQHOLZRFWRSJAW-JKSUJKDBSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)Cc1nc2c(n1CC(C)(C)C[NH+](C)C)CC[NH2+]C2 ZINC000085568331 179094945 /nfs/dbraw/zinc/09/49/45/179094945.db2.gz MNIBDEAKFKROTQ-UHFFFAOYSA-N 2 0 292.471 2.315 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626730 179106607 /nfs/dbraw/zinc/10/66/07/179106607.db2.gz ONYIYUGTBSCRGM-DGCLKSJQSA-N 2 0 294.361 2.418 10 0 CEAERP CC(C)Cc1nc2c(n1[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573153 179098166 /nfs/dbraw/zinc/09/81/66/179098166.db2.gz JPVNXNISUCFQAG-INIZCTEOSA-N 2 0 292.471 2.486 10 0 CEAERP COCCC[N@@H+]1C[C@@H](Cc2ccccc2)[NH2+]CC[C@@H]1C ZINC000085618753 179103564 /nfs/dbraw/zinc/10/35/64/179103564.db2.gz VPPGOTOLGVRJHN-DOTOQJQBSA-N 2 0 276.424 2.318 10 0 CEAERP CCC1(CC)C[N@H+](CCn2ccnc2C)[C@H](C)CC[NH2+]1 ZINC000085627891 179107469 /nfs/dbraw/zinc/10/74/69/179107469.db2.gz DHOJNHJAWUHRAV-CQSZACIVSA-N 2 0 278.444 2.434 10 0 CEAERP CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173645 179244937 /nfs/dbraw/zinc/24/49/37/179244937.db2.gz PWPQJRXFINJFFV-CVEARBPZSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174170 179245767 /nfs/dbraw/zinc/24/57/67/179245767.db2.gz UURGXJOOHOPTBW-IKGGRYGDSA-N 2 0 281.488 2.425 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CC(CC)(CC)[NH2+]C[C@@H]2C)C1 ZINC000086223037 179250625 /nfs/dbraw/zinc/25/06/25/179250625.db2.gz DRTNNDRVUMVQLU-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223023 179250635 /nfs/dbraw/zinc/25/06/35/179250635.db2.gz BJRDWAXKBJZAIU-HUUCEWRRSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223012 179250796 /nfs/dbraw/zinc/25/07/96/179250796.db2.gz AWFHLZPDJFJBRU-OAGGEKHMSA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223020 179250937 /nfs/dbraw/zinc/25/09/37/179250937.db2.gz JQOGUJIEFHSRGY-HOTGVXAUSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]1C[NH2+][C@](C)(c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223149 179252136 /nfs/dbraw/zinc/25/21/36/179252136.db2.gz NBFPUDZFMMRNHI-JZXOWHBKSA-N 2 0 287.451 2.147 10 0 CEAERP CC[C@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223135 179252309 /nfs/dbraw/zinc/25/23/09/179252309.db2.gz OCPPGAMPWPXDEJ-NJAFHUGGSA-N 2 0 287.451 2.363 10 0 CEAERP CC(C)C[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224009 179253140 /nfs/dbraw/zinc/25/31/40/179253140.db2.gz DPEHHATZXOFKMK-BBWFWOEESA-N 2 0 281.488 2.425 10 0 CEAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259197 179257699 /nfs/dbraw/zinc/25/76/99/179257699.db2.gz MSFHGSRIGSZLDM-NUJGCVRESA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259253 179258133 /nfs/dbraw/zinc/25/81/33/179258133.db2.gz HYNWJZRMDACYCO-HZPDHXFCSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259589 179258307 /nfs/dbraw/zinc/25/83/07/179258307.db2.gz OVCHMINBZTYZQS-OIISXLGYSA-N 2 0 277.456 2.076 10 0 CEAERP CCC[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259124 179258790 /nfs/dbraw/zinc/25/87/90/179258790.db2.gz IGXKDZHOFUQRET-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259639 179259530 /nfs/dbraw/zinc/25/95/30/179259530.db2.gz KHRMSLAAGLMISC-GDBMZVCRSA-N 2 0 277.456 2.220 10 0 CEAERP CC(C)[C@H]1CN[C@H](C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261062 179259856 /nfs/dbraw/zinc/25/98/56/179259856.db2.gz LDCLFJYJWFZDJN-JKSUJKDBSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1CNC(C)(C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261067 179259925 /nfs/dbraw/zinc/25/99/25/179259925.db2.gz QUDOYCDJUFJJIX-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261032 179260334 /nfs/dbraw/zinc/26/03/34/179260334.db2.gz HVXLCQWBUPARNM-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP CCOCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086286245 179264125 /nfs/dbraw/zinc/26/41/25/179264125.db2.gz UJKFJTKMQRMBGA-QGZVFWFLSA-N 2 0 276.424 2.320 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000086286990 179264293 /nfs/dbraw/zinc/26/42/93/179264293.db2.gz ZTADPMZIIODPGX-KRWDZBQOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086289438 179264858 /nfs/dbraw/zinc/26/48/58/179264858.db2.gz QVWIEUAKANVSDK-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@](C)(CC)C2)CC1 ZINC000086291508 179266748 /nfs/dbraw/zinc/26/67/48/179266748.db2.gz NKXVEQJGQYOFIS-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP COCCCC[N@@H+]1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086291739 179266777 /nfs/dbraw/zinc/26/67/77/179266777.db2.gz UTXXFUNTWXJOHP-QGZVFWFLSA-N 2 0 276.424 2.320 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086399733 179285319 /nfs/dbraw/zinc/28/53/19/179285319.db2.gz ROIKHTZIIOOGLB-VXGBXAGGSA-N 2 0 269.186 2.419 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443960 179293624 /nfs/dbraw/zinc/29/36/24/179293624.db2.gz OQCKUHCLQXLMBQ-RYUDHWBXSA-N 2 0 294.468 2.400 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086443959 179293688 /nfs/dbraw/zinc/29/36/88/179293688.db2.gz OQCKUHCLQXLMBQ-NEPJUHHUSA-N 2 0 294.468 2.400 10 0 CEAERP C[C@@H]1CCC[C@@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086677173 179319387 /nfs/dbraw/zinc/31/93/87/179319387.db2.gz UQYFLFSAVWRVSZ-WBVHZDCISA-N 2 0 279.472 2.312 10 0 CEAERP Cc1ccccc1CN(C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819349 179347883 /nfs/dbraw/zinc/34/78/83/179347883.db2.gz URJXWCJJWXRSLH-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP Cc1ccccc1CN(C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819348 179347887 /nfs/dbraw/zinc/34/78/87/179347887.db2.gz URJXWCJJWXRSLH-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP CN(c1cccc(F)c1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819530 179348318 /nfs/dbraw/zinc/34/83/18/179348318.db2.gz JQXJDQLFXRYEJW-OAHLLOKOSA-N 2 0 265.376 2.075 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CCCc3ccccc3C2)CC1 ZINC000086819590 179348567 /nfs/dbraw/zinc/34/85/67/179348567.db2.gz LVGVTTQPRSVPKP-GOSISDBHSA-N 2 0 287.451 2.248 10 0 CEAERP Cc1ccccc1N(C)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819522 179348616 /nfs/dbraw/zinc/34/86/16/179348616.db2.gz PPOSPHYXHMYUPE-MRXNPFEDSA-N 2 0 261.413 2.244 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086819479 179348633 /nfs/dbraw/zinc/34/86/33/179348633.db2.gz TVVRXSICLKGDFS-INIZCTEOSA-N 2 0 277.412 2.057 10 0 CEAERP CN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819220 179348661 /nfs/dbraw/zinc/34/86/61/179348661.db2.gz LDSOKWDZEOAZQV-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CN(C)[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817386 179344626 /nfs/dbraw/zinc/34/46/26/179344626.db2.gz BHEMYTGDGHUXKT-KGLIPLIRSA-N 2 0 281.469 2.425 10 0 CEAERP COc1ccc(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086817034 179344788 /nfs/dbraw/zinc/34/47/88/179344788.db2.gz IXKSDWGYBIIEKY-OAHLLOKOSA-N 2 0 292.423 2.320 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2cccc(OC)c2)CC1 ZINC000086848311 179356519 /nfs/dbraw/zinc/35/65/19/179356519.db2.gz OGBVHIRWCVUGKQ-KRWDZBQOSA-N 2 0 291.439 2.335 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CCOC)[C@@H](C)CC)CC1 ZINC000086848101 179357195 /nfs/dbraw/zinc/35/71/95/179357195.db2.gz SYSGWHGXYPNQRM-DLBZAZTESA-N 2 0 299.503 2.327 10 0 CEAERP CCN(Cc1ccncc1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847950 179357363 /nfs/dbraw/zinc/35/73/63/179357363.db2.gz YIJQQVCTHOQPCW-KRWDZBQOSA-N 2 0 290.455 2.107 10 0 CEAERP CC(C)[C@H](CN[C@@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836663 179351518 /nfs/dbraw/zinc/35/15/18/179351518.db2.gz BCPHVCUNPDVSDE-CVEARBPZSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836300 179351936 /nfs/dbraw/zinc/35/19/36/179351936.db2.gz NWJXXSYMHHMLRE-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843339 179352644 /nfs/dbraw/zinc/35/26/44/179352644.db2.gz LEHINKUAJQPYLN-INIZCTEOSA-N 3 0 267.461 2.181 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843342 179352648 /nfs/dbraw/zinc/35/26/48/179352648.db2.gz LEHINKUAJQPYLN-MRXNPFEDSA-N 3 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842363 179352802 /nfs/dbraw/zinc/35/28/02/179352802.db2.gz VWUJMZKVWXOCMM-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842026 179353621 /nfs/dbraw/zinc/35/36/21/179353621.db2.gz ASFNLVSOTXXLRO-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000086842023 179353840 /nfs/dbraw/zinc/35/38/40/179353840.db2.gz ASFNLVSOTXXLRO-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846270 179354387 /nfs/dbraw/zinc/35/43/87/179354387.db2.gz MJSDICDNMCXQEN-OAHLLOKOSA-N 2 0 253.434 2.066 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846216 179354865 /nfs/dbraw/zinc/35/48/65/179354865.db2.gz WXOPVYAWSFCMMY-MRXNPFEDSA-N 2 0 261.413 2.326 10 0 CEAERP CC(C)CN(C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846810 179355418 /nfs/dbraw/zinc/35/54/18/179355418.db2.gz RVRNECAUJPFKIX-OAHLLOKOSA-N 2 0 255.450 2.166 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)CC1 ZINC000086891019 179366119 /nfs/dbraw/zinc/36/61/19/179366119.db2.gz CIWGJSGYWVMRLM-NVXWUHKLSA-N 2 0 279.472 2.312 10 0 CEAERP CC(C)[C@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952105 179368644 /nfs/dbraw/zinc/36/86/44/179368644.db2.gz QOQCCWMEXLJLRX-JKSUJKDBSA-N 2 0 268.445 2.249 10 0 CEAERP COCC[N@H+](C)[C@@]1(C[NH3+])CCC[C@@H](C(C)C)CC1 ZINC000086948469 179369077 /nfs/dbraw/zinc/36/90/77/179369077.db2.gz SZRQJYUIYNYQNP-CABCVRRESA-N 2 0 256.434 2.498 10 0 CEAERP CCC(O)(CC)C[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000087015073 179379609 /nfs/dbraw/zinc/37/96/09/179379609.db2.gz HLIXJTHETJOICW-CQSZACIVSA-N 2 0 256.434 2.390 10 0 CEAERP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132922 179714253 /nfs/dbraw/zinc/71/42/53/179714253.db2.gz BMSSHOBVKIRLHS-BFHYXJOUSA-N 2 0 283.460 2.129 10 0 CEAERP CC1(C)C[NH+]([C@H]2CCC[C@@H](C[NH3+])C2)CC(C)(C)O1 ZINC000675054376 539704169 /nfs/dbraw/zinc/70/41/69/539704169.db2.gz VGMNCNBGPKCAQC-OLZOCXBDSA-N 2 0 254.418 2.393 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089402252 179782047 /nfs/dbraw/zinc/78/20/47/179782047.db2.gz ULNNNFPLTFFPQL-CVEARBPZSA-N 3 0 267.461 2.025 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000090567280 180006288 /nfs/dbraw/zinc/00/62/88/180006288.db2.gz ZDCGFNRMMGYZMC-RRFJBIMHSA-N 2 0 254.418 2.121 10 0 CEAERP C[N@H+](CCOCC(F)(F)F)CC[C@H]1CCCC[NH2+]1 ZINC000090693450 180025115 /nfs/dbraw/zinc/02/51/15/180025115.db2.gz WKSQOVTXJOSQGJ-LLVKDONJSA-N 2 0 268.323 2.029 10 0 CEAERP C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1)[C@@H]1CCCO1 ZINC000090693901 180025921 /nfs/dbraw/zinc/02/59/21/180025921.db2.gz CWNDHUBMVZOLGA-QLFBSQMISA-N 2 0 252.402 2.020 10 0 CEAERP CCCCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693660 180026160 /nfs/dbraw/zinc/02/61/60/180026160.db2.gz KGHASBVWGGUYQR-HUUCEWRRSA-N 2 0 254.418 2.267 10 0 CEAERP CCCCOCC[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694385 180026206 /nfs/dbraw/zinc/02/62/06/180026206.db2.gz JYIWUPUVAJUQQR-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]Cc2cscn2)CC1 ZINC000104447521 186005645 /nfs/dbraw/zinc/00/56/45/186005645.db2.gz GKYFCXBNROJQLJ-LLVKDONJSA-N 2 0 253.415 2.353 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000090874509 180050385 /nfs/dbraw/zinc/05/03/85/180050385.db2.gz CJWQRBNLZXCPNZ-HOCLYGCPSA-N 2 0 274.408 2.310 10 0 CEAERP C[NH+]1CCC(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090892549 180053797 /nfs/dbraw/zinc/05/37/97/180053797.db2.gz KVSGLYPLSHTJEA-HNNXBMFYSA-N 2 0 278.371 2.061 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[N@H+](CCC[NH3+])C1CC1)O2 ZINC000090896978 180057032 /nfs/dbraw/zinc/05/70/32/180057032.db2.gz JVJQLGIPBXDYCT-OAHLLOKOSA-N 2 0 260.381 2.112 10 0 CEAERP C[C@@H]1CC[C@H](C)[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958810 180075519 /nfs/dbraw/zinc/07/55/19/180075519.db2.gz DMBPZBSTJMFWHH-MNOVXSKESA-N 2 0 253.415 2.265 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090976051 180078734 /nfs/dbraw/zinc/07/87/34/180078734.db2.gz AXYDWAVCCGOMTD-IAGOWNOFSA-N 2 0 287.451 2.071 10 0 CEAERP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019712 180087841 /nfs/dbraw/zinc/08/78/41/180087841.db2.gz ZIKCNQZROGGSMR-ZDUSSCGKSA-N 2 0 258.369 2.266 10 0 CEAERP C[C@@H](c1ccccc1F)[N@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091314176 180133912 /nfs/dbraw/zinc/13/39/12/180133912.db2.gz TVPSCFTWIRVESS-QWHCGFSZSA-N 2 0 266.360 2.197 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(C)Cc1ccccc1C ZINC000091322719 180134459 /nfs/dbraw/zinc/13/44/59/180134459.db2.gz QNBOERSHTOAVAZ-MRXNPFEDSA-N 2 0 291.439 2.013 10 0 CEAERP CCC1(CC)CC[NH+]([C@@H](CN)CC(=O)N2CCCC2)CC1 ZINC000091323543 180134489 /nfs/dbraw/zinc/13/44/89/180134489.db2.gz NURCUALSHHOYNO-OAHLLOKOSA-N 2 0 295.471 2.228 10 0 CEAERP CC(C)[NH2+]Cc1cnn(CC[NH+](C)C)c1C(C)C ZINC000091338592 180136218 /nfs/dbraw/zinc/13/62/18/180136218.db2.gz JXQFBHYJIMBMFG-UHFFFAOYSA-N 2 0 252.406 2.066 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC[NH2+]CCC(C)(C)C)C1 ZINC000091431963 180153616 /nfs/dbraw/zinc/15/36/16/180153616.db2.gz JCGRVLWWBKUFHW-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+]C[C@@](C)(CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091433172 180153672 /nfs/dbraw/zinc/15/36/72/180153672.db2.gz NHRRATRUEJFGKN-ROUUACIJSA-N 2 0 289.467 2.190 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091432947 180153826 /nfs/dbraw/zinc/15/38/26/180153826.db2.gz GSCIKABSFLEOMM-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC(CC)n1ccc(C[N@H+](C)CC2CC([NH3+])C2)n1 ZINC000091474765 180165263 /nfs/dbraw/zinc/16/52/63/180165263.db2.gz YAPBHZZSCYBESW-UHFFFAOYSA-N 2 0 264.417 2.413 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])C1 ZINC000091391773 180145031 /nfs/dbraw/zinc/14/50/31/180145031.db2.gz VCIDAWMRGFOKNS-NXHRZFHOSA-N 2 0 287.451 2.417 10 0 CEAERP C[C@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393127 180145555 /nfs/dbraw/zinc/14/55/55/180145555.db2.gz BQTRMKFDPQVPKI-KBMXLJTQSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393061 180145779 /nfs/dbraw/zinc/14/57/79/180145779.db2.gz VYFMAXIHTDUEEZ-HYVNUMGLSA-N 2 0 275.440 2.143 10 0 CEAERP C[NH2+]C1(CCN2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC000091395343 180146498 /nfs/dbraw/zinc/14/64/98/180146498.db2.gz JZNRPBUBFJJFKZ-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CC)CC1 ZINC000091402271 180147434 /nfs/dbraw/zinc/14/74/34/180147434.db2.gz HCLUJZWPBHSOLA-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@H]([NH+](C)C)C2)nc1CC ZINC000091429763 180152659 /nfs/dbraw/zinc/15/26/59/180152659.db2.gz ULCUOCSULJODTM-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000091548161 180187960 /nfs/dbraw/zinc/18/79/60/180187960.db2.gz PPDDNKFXALDJLH-UKRRQHHQSA-N 2 0 287.407 2.348 10 0 CEAERP CC[NH2+][C@H]([C@H]1CCOC1)C1([NH+](C)C)CCCCC1 ZINC000091647745 180215201 /nfs/dbraw/zinc/21/52/01/180215201.db2.gz AIYGNMXANOWPRF-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@H](Cc1csc(C)n1)[NH2+]C ZINC000091716177 180232262 /nfs/dbraw/zinc/23/22/62/180232262.db2.gz WQVDYNRJFFUBPY-GFCCVEGCSA-N 2 0 255.431 2.314 10 0 CEAERP [NH3+][C@H](Cc1cccc(Cl)c1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720800 180235618 /nfs/dbraw/zinc/23/56/18/180235618.db2.gz ORPPNBCYXMVOLW-RBSFLKMASA-N 2 0 280.799 2.073 10 0 CEAERP Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1C[NH2+]C1CC1 ZINC000091723152 180242508 /nfs/dbraw/zinc/24/25/08/180242508.db2.gz LFKIHHXDPBCYTJ-OLZOCXBDSA-N 2 0 293.436 2.239 10 0 CEAERP CCC[N@H+]([C@H](C)C(=O)N(CC)CC)C1CCC([NH3+])CC1 ZINC000091852535 180272663 /nfs/dbraw/zinc/27/26/63/180272663.db2.gz WFZLKWRAKQCEFR-WLYUNCDWSA-N 2 0 283.460 2.225 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000091870548 180277172 /nfs/dbraw/zinc/27/71/72/180277172.db2.gz YFPKNZWUALKWPE-UHFFFAOYSA-N 2 0 293.386 2.227 10 0 CEAERP C[N@@H+]1CC[C@](O)(C2(C[NH3+])CCC(C(C)(C)C)CC2)C1 ZINC000091907211 180283806 /nfs/dbraw/zinc/28/38/06/180283806.db2.gz LTNALCXSBJFBPK-AVVWSFFYSA-N 2 0 268.445 2.234 10 0 CEAERP CC[C@@H]1CC[C@](C[NH3+])(C2(O)CC[NH+](C(C)C)CC2)C1 ZINC000091906416 180283995 /nfs/dbraw/zinc/28/39/95/180283995.db2.gz JSFXOZWHFLKMAI-CABCVRRESA-N 2 0 268.445 2.377 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092203688 180343449 /nfs/dbraw/zinc/34/34/49/180343449.db2.gz YUWRYHRQMXUJTJ-HUUCEWRRSA-N 2 0 287.407 2.370 10 0 CEAERP C[C@@H](C[NH2+]C[C@@H]1COc2ccccc21)C[NH+]1CCCC1 ZINC000092300892 180358745 /nfs/dbraw/zinc/35/87/45/180358745.db2.gz WFOOHCSVNCRPHA-LSDHHAIUSA-N 2 0 274.408 2.484 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000092325735 180363225 /nfs/dbraw/zinc/36/32/25/180363225.db2.gz LQXLWGJOOYCZIF-LBPRGKRZSA-N 2 0 278.444 2.247 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000092402535 180378477 /nfs/dbraw/zinc/37/84/77/180378477.db2.gz XILXXOAOKYIWKW-CHWSQXEVSA-N 2 0 269.458 2.434 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCOC2)CC1 ZINC000109544607 186261471 /nfs/dbraw/zinc/26/14/71/186261471.db2.gz LZPAYZLMFJLWAA-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH+]1CCN(CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000109412530 186251473 /nfs/dbraw/zinc/25/14/73/186251473.db2.gz SKZZDZIBAMKVLY-QGZVFWFLSA-N 2 0 275.440 2.494 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2ccc(CC)cc2)CC1 ZINC000109462048 186253624 /nfs/dbraw/zinc/25/36/24/186253624.db2.gz RWGHKGRTLZDQQQ-SFHVURJKSA-N 2 0 289.467 2.494 10 0 CEAERP C[NH2+]Cc1sc(N2CC[C@@H]([NH+](C)C)C2)nc1C(C)(C)C ZINC000110275350 186289886 /nfs/dbraw/zinc/28/98/86/186289886.db2.gz PGYQHSUGZCDUPN-LLVKDONJSA-N 2 0 296.484 2.300 10 0 CEAERP [NH2+]=C(Nc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000110368914 186294245 /nfs/dbraw/zinc/29/42/45/186294245.db2.gz JELVDVUWXKPVCV-AWEZNQCLSA-N 2 0 258.369 2.203 10 0 CEAERP [NH3+]C1CCC(C[N@@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000110371198 186294359 /nfs/dbraw/zinc/29/43/59/186294359.db2.gz HXWGDNLVJFWREH-UYSNPLJNSA-N 2 0 265.445 2.064 10 0 CEAERP CN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000110926422 186333259 /nfs/dbraw/zinc/33/32/59/186333259.db2.gz YYNBQKSWHOOWKA-QZTJIDSGSA-N 2 0 287.451 2.335 10 0 CEAERP [NH3+]CCc1nc2ccccc2n1CCC[NH+]1CCCC1 ZINC000110948917 186335623 /nfs/dbraw/zinc/33/56/23/186335623.db2.gz ZAFJKQUYNMQVCO-UHFFFAOYSA-N 2 0 272.396 2.023 10 0 CEAERP CCCN(CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000110945674 186336054 /nfs/dbraw/zinc/33/60/54/186336054.db2.gz OGLRRFPEIQEULA-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110704716 186313951 /nfs/dbraw/zinc/31/39/51/186313951.db2.gz UQQQEDVDVVNXHW-HNNXBMFYSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N1CC[N@H+](C)[C@@H](C)C1 ZINC000110701710 186315064 /nfs/dbraw/zinc/31/50/64/186315064.db2.gz RHQJUNFEISYOSG-YWPYICTPSA-N 2 0 281.831 2.364 10 0 CEAERP CCC[NH2+][C@H](C)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110717093 186315483 /nfs/dbraw/zinc/31/54/83/186315483.db2.gz UZVGRIGUUHJOEY-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)C[C@@H]1C ZINC000110708919 186315497 /nfs/dbraw/zinc/31/54/97/186315497.db2.gz BIWVYQVCNYAMPM-XQLPTFJDSA-N 2 0 291.439 2.429 10 0 CEAERP C[N@@H+]1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC1(C)C ZINC000110716454 186316341 /nfs/dbraw/zinc/31/63/41/186316341.db2.gz IUCPEJFNJJBIFM-SJORKVTESA-N 2 0 287.451 2.417 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110755118 186320991 /nfs/dbraw/zinc/32/09/91/186320991.db2.gz GVVDLJRRMFVHLG-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1C)N(C)CC[NH+](C)C ZINC000111129654 186355829 /nfs/dbraw/zinc/35/58/29/186355829.db2.gz PPMHYAGZSNTEGG-HZPDHXFCSA-N 2 0 263.429 2.267 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111131742 186356096 /nfs/dbraw/zinc/35/60/96/186356096.db2.gz VVCWYLKUEWLLHU-WFASDCNBSA-N 2 0 267.392 2.098 10 0 CEAERP CC[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)CC[NH+](C)C ZINC000111134966 186356960 /nfs/dbraw/zinc/35/69/60/186356960.db2.gz ZXLJLINZGCNVPX-YOEHRIQHSA-N 2 0 293.455 2.228 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(OCC)cc1 ZINC000111135289 186357428 /nfs/dbraw/zinc/35/74/28/186357428.db2.gz OVXGPWYFIXYMPU-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@@H]1N(C)CC[NH+](C)C ZINC000111135479 186357530 /nfs/dbraw/zinc/35/75/30/186357530.db2.gz DKURWPHEWYPGDV-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N(C)CC[NH+](C)C ZINC000111135347 186357980 /nfs/dbraw/zinc/35/79/80/186357980.db2.gz STBXVBIPPHDZEL-LSDHHAIUSA-N 2 0 257.466 2.427 10 0 CEAERP CN(CCC[NH+](C)C)c1ncc(C[NH2+]C2CC2)cc1Cl ZINC000111149340 186358700 /nfs/dbraw/zinc/35/87/00/186358700.db2.gz NSGVBWLIEZGIDJ-UHFFFAOYSA-N 2 0 296.846 2.375 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1CN(C)CC[NH+](C)C ZINC000111147387 186359263 /nfs/dbraw/zinc/35/92/63/186359263.db2.gz ZWBHOZSRHJAJJS-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP C[N@H+](CC1CCOCC1)C[C@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172949 186365406 /nfs/dbraw/zinc/36/54/06/186365406.db2.gz LGFBHUMQOOZZIY-QGZVFWFLSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@@H+](Cc1ccoc1C[NH2+]C1CC1)CC1CCOCC1 ZINC000111175659 186365630 /nfs/dbraw/zinc/36/56/30/186365630.db2.gz ZYCYVBFWLHEAOQ-UHFFFAOYSA-N 2 0 278.396 2.390 10 0 CEAERP C[N@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324828 186398688 /nfs/dbraw/zinc/39/86/88/186398688.db2.gz XRCXOECNCFCOTE-INIZCTEOSA-N 2 0 266.429 2.410 10 0 CEAERP C[N@H+](Cc1ccc(F)cc1)C[C@]1(C[NH3+])CCCOC1 ZINC000111328758 186399657 /nfs/dbraw/zinc/39/96/57/186399657.db2.gz XZRQWJYOKRBVQA-OAHLLOKOSA-N 2 0 266.360 2.013 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111266853 186382468 /nfs/dbraw/zinc/38/24/68/186382468.db2.gz RUCCXQQZFGYBTP-HIFRSBDPSA-N 2 0 289.423 2.322 10 0 CEAERP Cc1cc(N(C)CC[NH+]2CCCC2)ccc1CC[NH3+] ZINC000111482359 186423059 /nfs/dbraw/zinc/42/30/59/186423059.db2.gz QFXVGQNTGVGELS-UHFFFAOYSA-N 2 0 261.413 2.028 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCCC1CC[NH2+]CC1 ZINC000251894207 539993514 /nfs/dbraw/zinc/99/35/14/539993514.db2.gz VUXXLYGTRUPVBC-RDJZCZTQSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000390517796 540390504 /nfs/dbraw/zinc/39/05/04/540390504.db2.gz DOKJSBAJAKZJOK-FVQBIDKESA-N 2 0 262.397 2.451 10 0 CEAERP Cc1ccccc1[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151313579 366638760 /nfs/dbraw/zinc/63/87/60/366638760.db2.gz VHCVHXAGSKMRCS-JKSUJKDBSA-N 2 0 276.424 2.492 10 0 CEAERP Cc1cccc2c(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc[nH+]c12 ZINC000301715307 201155388 /nfs/dbraw/zinc/15/53/88/201155388.db2.gz MPEQNAIMFDYMNF-HZPDHXFCSA-N 2 0 283.375 2.062 10 0 CEAERP CC[NH+](CC)[C@@H](CN[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074109 364251217 /nfs/dbraw/zinc/25/12/17/364251217.db2.gz WNUPTKPQWWHFRK-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842621 367583695 /nfs/dbraw/zinc/58/36/95/367583695.db2.gz CTTDDKRSKVHHFW-OLZOCXBDSA-N 2 0 266.360 2.121 10 0 CEAERP C[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705597 368251362 /nfs/dbraw/zinc/25/13/62/368251362.db2.gz ROYKKHVCNXLANI-KDOFPFPSSA-N 2 0 297.402 2.392 10 0 CEAERP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000190483513 369628192 /nfs/dbraw/zinc/62/81/92/369628192.db2.gz OLSGFZKTRGEGGA-QGZVFWFLSA-N 2 0 296.418 2.431 10 0 CEAERP C[N@H+](CCOc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231671128 370487473 /nfs/dbraw/zinc/48/74/73/370487473.db2.gz BDEQDHCEDPJXNJ-ZDUSSCGKSA-N 2 0 266.360 2.278 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000234709412 370540256 /nfs/dbraw/zinc/54/02/56/370540256.db2.gz DKLYTRUHWMQPQS-HTAVTVPLSA-N 2 0 282.350 2.451 10 0 CEAERP CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249368055 371316405 /nfs/dbraw/zinc/31/64/05/371316405.db2.gz MWEGKFLDMSLMDB-IMJJTQAJSA-N 2 0 266.429 2.096 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249570536 371338446 /nfs/dbraw/zinc/33/84/46/371338446.db2.gz OEAPCVKAMAFOJO-BZUAXINKSA-N 2 0 294.464 2.240 10 0 CEAERP c1csc(C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000261762620 371724032 /nfs/dbraw/zinc/72/40/32/371724032.db2.gz DAFPTOATRZBWEM-LBPRGKRZSA-N 2 0 265.426 2.322 10 0 CEAERP C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1noc(CN)n1 ZINC000261625702 371681255 /nfs/dbraw/zinc/68/12/55/371681255.db2.gz DLBMKXCJDJLHFB-JTQLQIEISA-N 2 0 294.786 2.245 10 0 CEAERP Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261637089 371685581 /nfs/dbraw/zinc/68/55/81/371685581.db2.gz WPGWRDRIHJCUAG-NUEKZKHPSA-N 2 0 260.381 2.043 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000261932013 371774783 /nfs/dbraw/zinc/77/47/83/371774783.db2.gz LQTXVNCDICMHQZ-RBSFLKMASA-N 2 0 282.428 2.088 10 0 CEAERP C[NH+]1CCC(c2nc(-c3ccc(C[NH3+])cc3)no2)CC1 ZINC000262076759 371819510 /nfs/dbraw/zinc/81/95/10/371819510.db2.gz SPZNYCKXHVPPOG-UHFFFAOYSA-N 2 0 272.352 2.005 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262905050 371920346 /nfs/dbraw/zinc/92/03/46/371920346.db2.gz BWUIZQCFAPFWAO-LLVKDONJSA-N 2 0 289.301 2.230 10 0 CEAERP C[C@@H](CCNC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379643119 375157007 /nfs/dbraw/zinc/15/70/07/375157007.db2.gz AXODUMRPBQFVSP-HNNXBMFYSA-N 2 0 275.440 2.239 10 0 CEAERP CCN1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC000389156381 375299115 /nfs/dbraw/zinc/29/91/15/375299115.db2.gz KTWGBRVMTCVRAX-NJAFHUGGSA-N 2 0 287.451 2.333 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400348170 375372144 /nfs/dbraw/zinc/37/21/44/375372144.db2.gz IKTUKZKRXQXMFH-SOUVJXGZSA-N 3 0 255.450 2.085 10 0 CEAERP NNc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000307321209 376562407 /nfs/dbraw/zinc/56/24/07/376562407.db2.gz WMEKBROKUAFBJI-AWEZNQCLSA-N 2 0 283.379 2.054 10 0 CEAERP FC(F)(F)CSCC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423017867 376933660 /nfs/dbraw/zinc/93/36/60/376933660.db2.gz PRFHYKYGWDYLOP-VIFPVBQESA-N 2 0 256.337 2.014 10 0 CEAERP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960085 377036217 /nfs/dbraw/zinc/03/62/17/377036217.db2.gz AZJDRUXVZCRCJU-BQFCYCMXSA-N 2 0 289.467 2.485 10 0 CEAERP CC1(C)CC(N[C@H]2CCC[C@@H]([NH3+])C2)CC(C)(C)[NH2+]1 ZINC000093210384 184655577 /nfs/dbraw/zinc/65/55/77/184655577.db2.gz BHVCIDCRAGOYIX-NEPJUHHUSA-N 2 0 253.434 2.155 10 0 CEAERP C[NH+]1CCC2(C[NH+]=C(N)N2c2ccccc2Cl)CC1 ZINC000093378515 184669240 /nfs/dbraw/zinc/66/92/40/184669240.db2.gz RENCRPNHXIMDKP-UHFFFAOYSA-N 2 0 278.787 2.149 10 0 CEAERP CCC[NH+](CCC)CC[C@@H]1CCC[C@]1([NH2+]C1CC1)C(N)=O ZINC000093584706 184693194 /nfs/dbraw/zinc/69/31/94/184693194.db2.gz JWHKIRJHUVFFDR-WMLDXEAASA-N 2 0 295.471 2.275 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000093715417 184708741 /nfs/dbraw/zinc/70/87/41/184708741.db2.gz RCYZAUUQXHUBFD-CYBMUJFWSA-N 2 0 272.433 2.286 10 0 CEAERP CC[NH2+][C@@H]1[C@H](C[NH+]2CCC(CO)CC2)CCCC1(C)C ZINC000094285948 184775979 /nfs/dbraw/zinc/77/59/79/184775979.db2.gz OFXITNMQRSZBLN-JKSUJKDBSA-N 2 0 282.472 2.495 10 0 CEAERP C[C@H]1C[C@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)CS1 ZINC000094473357 184807645 /nfs/dbraw/zinc/80/76/45/184807645.db2.gz GKMWTBGDFPWOLB-GOEBONIOSA-N 2 0 297.512 2.160 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2C(N)=[NH2+])C1 ZINC000091393697 135068238 /nfs/dbraw/zinc/06/82/38/135068238.db2.gz QHRZFYUJPODVRM-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ccc2C[NH3+])C1 ZINC000091394617 135068827 /nfs/dbraw/zinc/06/88/27/135068827.db2.gz XVDQVNWVVHQRCZ-CYBMUJFWSA-N 2 0 267.804 2.329 10 0 CEAERP Cc1cc(C[C@@H](C)[NH3+])ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091432417 135069828 /nfs/dbraw/zinc/06/98/28/135069828.db2.gz KVTJKWVJEWFVRF-GDBMZVCRSA-N 2 0 275.440 2.415 10 0 CEAERP FC(F)(F)[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000422858262 394834256 /nfs/dbraw/zinc/83/42/56/394834256.db2.gz ZNOIOJKFBQDDAT-GMTAPVOTSA-N 2 0 250.308 2.307 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000343585564 395041686 /nfs/dbraw/zinc/04/16/86/395041686.db2.gz BVOQBXMWBOMXRS-JKJDWNRSSA-N 2 0 266.429 2.406 10 0 CEAERP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000381143296 395172222 /nfs/dbraw/zinc/17/22/22/395172222.db2.gz KAPLKHCSBTUSRI-BHYGNILZSA-N 2 0 274.408 2.351 10 0 CEAERP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)O1 ZINC000381292403 395173780 /nfs/dbraw/zinc/17/37/80/395173780.db2.gz JZAQESWTZLKLBK-SVGFKBNWSA-N 2 0 274.408 2.228 10 0 CEAERP C[C@H]([NH2+][C@H](CCO)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568748955 395569450 /nfs/dbraw/zinc/56/94/50/395569450.db2.gz PRYZCIQFPRRLLS-NUEKZKHPSA-N 2 0 268.445 2.295 10 0 CEAERP CC(=[NH2+])N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000307731156 400340318 /nfs/dbraw/zinc/34/03/18/400340318.db2.gz MHPWVHQAWVACKK-ARFHVFGLSA-N 2 0 257.381 2.484 10 0 CEAERP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365124112 156071204 /nfs/dbraw/zinc/07/12/04/156071204.db2.gz JICDPTCAIGWEGQ-AYHJJNSGSA-N 2 0 287.451 2.333 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165345060 162344076 /nfs/dbraw/zinc/34/40/76/162344076.db2.gz SVQJTKQBTGIWME-HOCLYGCPSA-N 2 0 297.487 2.105 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000168639935 162366670 /nfs/dbraw/zinc/36/66/70/162366670.db2.gz QQTDSRSFUXGIOQ-UONOGXRCSA-N 2 0 283.460 2.131 10 0 CEAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000151332621 287031830 /nfs/dbraw/zinc/03/18/30/287031830.db2.gz LDZDDKXSTWDDMT-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000020362584 171161579 /nfs/dbraw/zinc/16/15/79/171161579.db2.gz ILPZGFGOJFRRMI-INIZCTEOSA-N 2 0 293.480 2.434 10 0 CEAERP [NH3+]CC[C@H](COc1ccc(F)cc1F)[NH+]1CCCC1 ZINC000020402161 171182446 /nfs/dbraw/zinc/18/24/46/171182446.db2.gz ZTYWAKBIIAFIMO-GFCCVEGCSA-N 2 0 270.323 2.157 10 0 CEAERP Cc1cc(C)cc(OC[C@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020402085 171182490 /nfs/dbraw/zinc/18/24/90/171182490.db2.gz QDZJDWAEIZSXAJ-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000022152473 171359775 /nfs/dbraw/zinc/35/97/75/171359775.db2.gz TVSJIATZTLXHGY-ZDUSSCGKSA-N 2 0 275.396 2.204 10 0 CEAERP CC[NH2+]Cc1ccc(OC)c(OCCC[NH+](C)C)c1 ZINC000033439877 171798829 /nfs/dbraw/zinc/79/88/29/171798829.db2.gz KMRODOBGGCYMKK-UHFFFAOYSA-N 2 0 266.385 2.135 10 0 CEAERP CCN(C1CCCCC1)C1(C[NH3+])CC[NH+](C)CC1 ZINC000035176722 172030017 /nfs/dbraw/zinc/03/00/17/172030017.db2.gz CPLLXFNKRQGBDY-UHFFFAOYSA-N 2 0 253.434 2.064 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CCC[N@H+](C)CC1 ZINC000037236448 173054280 /nfs/dbraw/zinc/05/42/80/173054280.db2.gz MCFPOIVQZZOEJJ-UHFFFAOYSA-N 2 0 265.376 2.077 10 0 CEAERP C[NH+]1CCN([C@@H](C[NH3+])c2cc(Cl)cc(Cl)c2)CC1 ZINC000037424731 173199227 /nfs/dbraw/zinc/19/92/27/173199227.db2.gz ODJIGESKLYSESE-ZDUSSCGKSA-N 2 0 288.222 2.241 10 0 CEAERP CCN1CCC[C@@H]([NH2+][C@H](C)C2CC[NH+](CC)CC2)C1 ZINC000040502623 174299219 /nfs/dbraw/zinc/29/92/19/174299219.db2.gz BXBIIJNMQPNCCI-GDBMZVCRSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](CC(N)=[NH2+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040694099 174377860 /nfs/dbraw/zinc/37/78/60/174377860.db2.gz WFGCMXPQFDYDSP-CYBMUJFWSA-N 2 0 266.433 2.041 10 0 CEAERP CCC[N@H+](C1CCN(CC)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747622 174392683 /nfs/dbraw/zinc/39/26/83/174392683.db2.gz WTOAMZDUWJLUFU-FKEKPDDDSA-N 2 0 279.472 2.466 10 0 CEAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000040767728 174398516 /nfs/dbraw/zinc/39/85/16/174398516.db2.gz NRKUNMSHTOQDIK-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH+]1CCC(Oc2c(C[NH3+])cnc3ccccc32)CC1 ZINC000041018541 174451375 /nfs/dbraw/zinc/45/13/75/174451375.db2.gz VCBBMPSKRQQSML-UHFFFAOYSA-N 2 0 271.364 2.167 10 0 CEAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722888 414855888 /nfs/dbraw/zinc/85/58/88/414855888.db2.gz MRICSADMSQYCMY-AWEZNQCLSA-N 2 0 291.439 2.141 10 0 CEAERP CC(C)C[N@H+](C[C@@H](O)COc1cccc(C[NH3+])c1)C(C)C ZINC000042563051 174799187 /nfs/dbraw/zinc/79/91/87/174799187.db2.gz GQFFWVYHAJQOSE-MRXNPFEDSA-N 2 0 294.439 2.251 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334453 175010781 /nfs/dbraw/zinc/01/07/81/175010781.db2.gz JZPXRGMXFKWWLM-HIFRSBDPSA-N 2 0 265.401 2.084 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336302 175011674 /nfs/dbraw/zinc/01/16/74/175011674.db2.gz CXKKGUMYECFPAD-HIFRSBDPSA-N 2 0 267.417 2.188 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340477 175014416 /nfs/dbraw/zinc/01/44/16/175014416.db2.gz WUMUFOVNZHYITF-NVXWUHKLSA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CC[NH+](C)C)CC(C)C ZINC000043341169 175015314 /nfs/dbraw/zinc/01/53/14/175015314.db2.gz CUBRQQIRYIOYPJ-RDJZCZTQSA-N 2 0 292.471 2.380 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC(C[NH+](C)C)CC2)o1 ZINC000043364992 175026070 /nfs/dbraw/zinc/02/60/70/175026070.db2.gz XNOZTNDECAAUNH-XJKSGUPXSA-N 2 0 279.428 2.250 10 0 CEAERP CCCc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810545 175109762 /nfs/dbraw/zinc/10/97/62/175109762.db2.gz QUBYIMLIOCHHDU-KRWDZBQOSA-N 2 0 275.440 2.147 10 0 CEAERP CC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810806 175109983 /nfs/dbraw/zinc/10/99/83/175109983.db2.gz MSCYFFOVTCFSSC-RDJZCZTQSA-N 2 0 275.440 2.282 10 0 CEAERP CCC[NH2+][C@H](CCC)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043811038 175110577 /nfs/dbraw/zinc/11/05/77/175110577.db2.gz CNYVSIGHDFGZMZ-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815457 175112546 /nfs/dbraw/zinc/11/25/46/175112546.db2.gz OTWBFLYSHLSLPJ-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815440 175112649 /nfs/dbraw/zinc/11/26/49/175112649.db2.gz IJFBJYOIKLNREI-HIFRSBDPSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccc(C)cc1 ZINC000043896868 175119057 /nfs/dbraw/zinc/11/90/57/175119057.db2.gz NVNCYFVTQWOOKQ-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897096 175119775 /nfs/dbraw/zinc/11/97/75/175119775.db2.gz BUPOFDHILCMXER-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@@H]([NH2+]C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907728 175123198 /nfs/dbraw/zinc/12/31/98/175123198.db2.gz URYHVIFVCKNSGI-GOEBONIOSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965732 175127278 /nfs/dbraw/zinc/12/72/78/175127278.db2.gz RWGKJIYOAAQADZ-UONOGXRCSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967803 175128779 /nfs/dbraw/zinc/12/87/79/175128779.db2.gz RFEMBMIOBKZNPK-CVEARBPZSA-N 2 0 265.445 2.077 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NCC1CC[NH+](CC)CC1 ZINC000044808399 175257175 /nfs/dbraw/zinc/25/71/75/175257175.db2.gz VKZYACNTCKJNEB-UHFFFAOYSA-N 2 0 297.487 2.380 10 0 CEAERP CCCNC(=O)CC[NH2+][C@H](C)C1CC[NH+](CCC)CC1 ZINC000045072527 175302253 /nfs/dbraw/zinc/30/22/53/175302253.db2.gz CAEZVMNGEOFSPM-CQSZACIVSA-N 2 0 283.460 2.003 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045113983 175311223 /nfs/dbraw/zinc/31/12/23/175311223.db2.gz VMBXJTDAXSXPQT-VXGBXAGGSA-N 2 0 278.400 2.039 10 0 CEAERP CCn1nc(C)c([C@@H](C)[NH+]2CCC(C[NH3+])CC2)c1C ZINC000045173297 175322522 /nfs/dbraw/zinc/32/25/22/175322522.db2.gz KKOCFHJYPCCARC-GFCCVEGCSA-N 2 0 264.417 2.252 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379088 175368207 /nfs/dbraw/zinc/36/82/07/175368207.db2.gz RARQMUNRBDWWNQ-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CCCC[NH+](CCCC)CCC[C@@](C)([NH2+]C)C(N)=O ZINC000045380622 175370044 /nfs/dbraw/zinc/37/00/44/175370044.db2.gz UJOSYGSAQCIWQL-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CC[NH2+][C@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419356 175378057 /nfs/dbraw/zinc/37/80/57/175378057.db2.gz NCMPGLFULYSGTJ-ZMSDIMECSA-N 2 0 295.471 2.132 10 0 CEAERP CCCO[C@H]1CCC[N@H+](CCC[C@@](C)(CO)[NH2+]CC)C1 ZINC000070515162 175964298 /nfs/dbraw/zinc/96/42/98/175964298.db2.gz XRYAPOZMLFXZAA-HOTGVXAUSA-N 2 0 286.460 2.018 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000071123441 176034780 /nfs/dbraw/zinc/03/47/80/176034780.db2.gz WRZXMVOWBIGNSF-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000071161675 176046282 /nfs/dbraw/zinc/04/62/82/176046282.db2.gz OGLFIUIQZDGOCU-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N(C)CCC[NH+](C)C ZINC000071162281 176046687 /nfs/dbraw/zinc/04/66/87/176046687.db2.gz CWRIEGUQTZMPAG-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188050 176062183 /nfs/dbraw/zinc/06/21/83/176062183.db2.gz VVUILDJMKJJWFB-SCRDCRAPSA-N 2 0 267.442 2.020 10 0 CEAERP CC(C)[C@H]1CC[C@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188951 176063488 /nfs/dbraw/zinc/06/34/88/176063488.db2.gz YCIUODDSONHDOM-FXUDXRNXSA-N 2 0 267.461 2.022 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188584 176063537 /nfs/dbraw/zinc/06/35/37/176063537.db2.gz WNXOOXYZJWDQHR-BFYDXBDKSA-N 2 0 281.488 2.414 10 0 CEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188595 176063618 /nfs/dbraw/zinc/06/36/18/176063618.db2.gz MGXOSEADHSRVPY-XHSDSOJGSA-N 2 0 269.477 2.414 10 0 CEAERP C[C@@H]([NH3+])c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189391 176064804 /nfs/dbraw/zinc/06/48/04/176064804.db2.gz FVCZEYJARCIPLQ-VXGBXAGGSA-N 2 0 265.376 2.233 10 0 CEAERP CCC[C@](C)(C[NH2+]CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191421 176070176 /nfs/dbraw/zinc/07/01/76/176070176.db2.gz SZLBMDOQSOATGM-HZPDHXFCSA-N 2 0 269.477 2.286 10 0 CEAERP Cc1ncsc1C[NH2+]CCC[C@@H]1CCCC[NH2+]1 ZINC000071213766 176085162 /nfs/dbraw/zinc/08/51/62/176085162.db2.gz HGMVOXBHDCKSEH-LBPRGKRZSA-N 2 0 253.415 2.463 10 0 CEAERP [NH3+]Cc1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000071263706 176096990 /nfs/dbraw/zinc/09/69/90/176096990.db2.gz IYLHGVWEFJKFTI-QGZVFWFLSA-N 2 0 291.414 2.345 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2Cc3ccc(F)cc3C2=[NH2+])C1 ZINC000071268907 176102631 /nfs/dbraw/zinc/10/26/31/176102631.db2.gz UTGKBHBHDRKHJG-ZDUSSCGKSA-N 2 0 261.344 2.451 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269046 176102948 /nfs/dbraw/zinc/10/29/48/176102948.db2.gz CVYUDWSEXUCHGD-CYBMUJFWSA-N 2 0 261.344 2.451 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CCCCCC[NH2+]C)C1 ZINC000071289985 176110598 /nfs/dbraw/zinc/11/05/98/176110598.db2.gz HPVIOXILLCYMIF-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CN1CC[N@H+](CCCCCC[NH2+]C2CC2)CC1(C)C ZINC000071290106 176110629 /nfs/dbraw/zinc/11/06/29/176110629.db2.gz DVSQQYMQZLXSRT-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC1=[NH+]C[C@@H](C2CC2)S1 ZINC000071307869 176116211 /nfs/dbraw/zinc/11/62/11/176116211.db2.gz GNHXHTZWJCDVGC-JQWIXIFHSA-N 2 0 255.431 2.188 10 0 CEAERP C[NH+](C)C1CCN(CCC[C@H]([NH3+])c2ccccc2)CC1 ZINC000071401721 176153945 /nfs/dbraw/zinc/15/39/45/176153945.db2.gz XRNLYAADNNOPHS-KRWDZBQOSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@H]([NH3+])Cc1cc(C)ccc1OCC[NH+](C)C ZINC000071412362 176157748 /nfs/dbraw/zinc/15/77/48/176157748.db2.gz BGNKQHBFNQWKAU-AWEZNQCLSA-N 2 0 250.386 2.215 10 0 CEAERP C[NH+](C)CCC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000659851457 415730840 /nfs/dbraw/zinc/73/08/40/415730840.db2.gz HYBDHFHJAPXTCR-JKSUJKDBSA-N 2 0 268.445 2.201 10 0 CEAERP [NH3+]CC1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000071600381 176226188 /nfs/dbraw/zinc/22/61/88/176226188.db2.gz QOEMUADJBJBELJ-UHFFFAOYSA-N 2 0 269.186 2.029 10 0 CEAERP COc1cc(C)c([C@H](CC[NH3+])C[NH+](C)C)cc1C ZINC000076655173 177044999 /nfs/dbraw/zinc/04/49/99/177044999.db2.gz QJQCHUFCLADDDG-CYBMUJFWSA-N 2 0 250.386 2.306 10 0 CEAERP CC[C@@H](CC[NH3+])CCC[NH2+]CCc1nccs1 ZINC000079214286 177449278 /nfs/dbraw/zinc/44/92/78/177449278.db2.gz UINKHDCLRDICEK-GFCCVEGCSA-N 2 0 255.431 2.430 10 0 CEAERP C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390569891 262220339 /nfs/dbraw/zinc/22/03/39/262220339.db2.gz BHNNANTXYYBERH-GOEBONIOSA-N 2 0 262.397 2.323 10 0 CEAERP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000398164642 270357350 /nfs/dbraw/zinc/35/73/50/270357350.db2.gz DDGQNBKVIZAYMP-GOSISDBHSA-N 2 0 289.467 2.485 10 0 CEAERP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000038040682 276110749 /nfs/dbraw/zinc/11/07/49/276110749.db2.gz KYJURDOSWIYFBT-UHFFFAOYSA-N 3 0 275.440 2.370 10 0 CEAERP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336314875 276164554 /nfs/dbraw/zinc/16/45/54/276164554.db2.gz FEKVLIHMRZZICB-LSDHHAIUSA-N 2 0 266.429 2.142 10 0 CEAERP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263130822 278301287 /nfs/dbraw/zinc/30/12/87/278301287.db2.gz BPMGJUKTUQBSNR-OOJKYFRXSA-N 2 0 268.445 2.009 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC1CCOCC1 ZINC000052171821 278332312 /nfs/dbraw/zinc/33/23/12/278332312.db2.gz BIERMEQMGUCPES-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)C1(C)C ZINC000261561858 279872214 /nfs/dbraw/zinc/87/22/14/279872214.db2.gz GCBDUZIRPHEOIE-RFQIPJPRSA-N 2 0 254.418 2.297 10 0 CEAERP C[C@]1(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CCC[NH2+]C1 ZINC000333296848 280159492 /nfs/dbraw/zinc/15/94/92/280159492.db2.gz PLBKORRCFHFEJT-YOEHRIQHSA-N 2 0 287.407 2.439 10 0 CEAERP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000325093526 280602567 /nfs/dbraw/zinc/60/25/67/280602567.db2.gz NEERJCOQEQPTEM-CVEARBPZSA-N 2 0 268.445 2.392 10 0 CEAERP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000134092603 281679069 /nfs/dbraw/zinc/67/90/69/281679069.db2.gz DOWSTCVXPVRKTR-ULQDDVLXSA-N 2 0 280.456 2.415 10 0 CEAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000576268517 314257848 /nfs/dbraw/zinc/25/78/48/314257848.db2.gz CKDOCIHRWFGVOE-NPJQDHAYSA-N 2 0 278.440 2.312 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]([C@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055077373 519727766 /nfs/dbraw/zinc/72/77/66/519727766.db2.gz VQRCSBSUJDJPHR-UONOGXRCSA-N 2 0 255.450 2.022 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)CC[NH2+]C(C)C)CC1 ZINC000055083099 519728205 /nfs/dbraw/zinc/72/82/05/519728205.db2.gz VYERBQLITLNUOV-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653534 519908628 /nfs/dbraw/zinc/90/86/28/519908628.db2.gz HRWOQXPFJMIHOP-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]CCC[C@@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571663 519919831 /nfs/dbraw/zinc/91/98/31/519919831.db2.gz DQDBDDNYZHSCJX-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479954 519920171 /nfs/dbraw/zinc/92/01/71/519920171.db2.gz QPBIXCXXDXBOOI-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571600 519920327 /nfs/dbraw/zinc/92/03/27/519920327.db2.gz SOIRJWIRHVUYMO-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763322 519957170 /nfs/dbraw/zinc/95/71/70/519957170.db2.gz ABJHDLYQZQZYGM-HUUCEWRRSA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH2+]Cc1c(C)nc(CC[NH+](CC)CC)nc1C ZINC000054854123 519982663 /nfs/dbraw/zinc/98/26/63/519982663.db2.gz FUQJKIFXOPSKBU-UHFFFAOYSA-N 2 0 264.417 2.087 10 0 CEAERP CC[NH2+][C@@H](C)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055065144 520073113 /nfs/dbraw/zinc/07/31/13/520073113.db2.gz OTHUSOVLCCPTRX-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC000054560656 520120776 /nfs/dbraw/zinc/12/07/76/520120776.db2.gz TWVMCQIOBJVZPR-KLHDSHLOSA-N 2 0 270.461 2.349 10 0 CEAERP CC[NH+](CC)CCOC[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052672035 520694514 /nfs/dbraw/zinc/69/45/14/520694514.db2.gz CIZJAZMIWFTTIT-GJZGRUSLSA-N 2 0 286.460 2.281 10 0 CEAERP CC[N@H+](CCOC)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052542681 521134183 /nfs/dbraw/zinc/13/41/83/521134183.db2.gz JAGFSLAWZCTVJP-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082087 522378461 /nfs/dbraw/zinc/37/84/61/522378461.db2.gz VLJSJYWLVMIROR-JKSUJKDBSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@H]([NH2+]CCSc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400428566 533863494 /nfs/dbraw/zinc/86/34/94/533863494.db2.gz ZKEDVGWASCYYTK-QWHCGFSZSA-N 2 0 250.411 2.366 10 0 CEAERP C([NH2+]C1CC1)C1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183021 518395939 /nfs/dbraw/zinc/39/59/39/518395939.db2.gz APKYOQALJBOGNV-DZGCQCFKSA-N 2 0 264.413 2.020 10 0 CEAERP CC(C)(C)[NH+]1CCN(Cc2cc(C[NH2+]C3CC3)co2)CC1 ZINC000052571660 518709956 /nfs/dbraw/zinc/70/99/56/518709956.db2.gz NUALXEXBKGGFGA-UHFFFAOYSA-N 2 0 291.439 2.448 10 0 CEAERP CC(C)(C)[NH2+]Cc1ccc(OCC[NH+]2CCCCC2)nn1 ZINC000051549076 518764898 /nfs/dbraw/zinc/76/48/98/518764898.db2.gz RUBXDGGOHCTUPS-UHFFFAOYSA-N 2 0 292.427 2.229 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000156013304 519335819 /nfs/dbraw/zinc/33/58/19/519335819.db2.gz UDKCYTSWLQESGS-BZUAXINKSA-N 2 0 297.487 2.105 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050951973 519614480 /nfs/dbraw/zinc/61/44/80/519614480.db2.gz MHXLKCQCQNRKMK-OAHLLOKOSA-N 2 0 283.460 2.145 10 0 CEAERP CC(C)[NH+]1CCN([C@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068811246 519683620 /nfs/dbraw/zinc/68/36/20/519683620.db2.gz RGEOGCMFAJETOB-OAHLLOKOSA-N 2 0 287.407 2.459 10 0 CEAERP CC(C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2N[C@@H](C)CC[NH+](C)C ZINC000049554482 519697499 /nfs/dbraw/zinc/69/74/99/519697499.db2.gz HWVVYUVXWGWEIO-PMRDEQMMSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C)CC[NH2+]C1CC1 ZINC000052503423 519716946 /nfs/dbraw/zinc/71/69/46/519716946.db2.gz RPXISYQQTKONLT-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000052503269 519716953 /nfs/dbraw/zinc/71/69/53/519716953.db2.gz MCWHUMGGUMEKAU-AWEZNQCLSA-N 2 0 257.466 2.283 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479265 519725370 /nfs/dbraw/zinc/72/53/70/519725370.db2.gz ISKMJSLRWQIXHL-CFVMTHIKSA-N 2 0 254.418 2.262 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC1 ZINC000055077450 519727553 /nfs/dbraw/zinc/72/75/53/519727553.db2.gz FDKDVAVUUFTICK-RHSMWYFYSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])[C@@H](C)c2ccccc2)CC1 ZINC000055078035 519727864 /nfs/dbraw/zinc/72/78/64/519727864.db2.gz RIQFCSWFXOTMAD-FUHWJXTLSA-N 2 0 289.467 2.391 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055078554 519728198 /nfs/dbraw/zinc/72/81/98/519728198.db2.gz OGLGZGRIODJFDJ-MRXNPFEDSA-N 2 0 297.393 2.238 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052421696 519859679 /nfs/dbraw/zinc/85/96/79/519859679.db2.gz AAVKJZIINRTOFB-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCCC[C@@H]2CCO)CCOCC1 ZINC000052181051 519910015 /nfs/dbraw/zinc/91/00/15/519910015.db2.gz PNNKIJULOZTVEI-MRXNPFEDSA-N 2 0 298.471 2.020 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)[C@H](C)C2CC2)CCOCC1 ZINC000052181777 519912926 /nfs/dbraw/zinc/91/29/26/519912926.db2.gz FCENVERWUVGZKQ-CYBMUJFWSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477734 519913219 /nfs/dbraw/zinc/91/32/19/519913219.db2.gz UIFZHVBEGBUIOU-AWEZNQCLSA-N 3 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571677 519918997 /nfs/dbraw/zinc/91/89/97/519918997.db2.gz VHCQIXZTWLDFMC-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511051 519924223 /nfs/dbraw/zinc/92/42/23/519924223.db2.gz UXHSDDSQMQUECK-JYJNAYRXSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654738 519929982 /nfs/dbraw/zinc/92/99/82/519929982.db2.gz VXYDVYWJXNOBST-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)O1 ZINC000052420850 519981744 /nfs/dbraw/zinc/98/17/44/519981744.db2.gz NUOZOWKPEFXAQE-LXTVHRRPSA-N 2 0 254.418 2.121 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1CCOC[C@H]1CC ZINC000052481643 520009076 /nfs/dbraw/zinc/00/90/76/520009076.db2.gz AVVPAWPOGGTNNR-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@H]([NH+](C)C)C2)nc1C1CC1 ZINC000069182580 520034202 /nfs/dbraw/zinc/03/42/02/520034202.db2.gz XZHXDCBXWUODIO-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP CCC[NH2+][C@H](C)C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000068875184 520062174 /nfs/dbraw/zinc/06/21/74/520062174.db2.gz ZCJAJADOFKDJRC-ZYHUDNBSSA-N 2 0 282.350 2.010 10 0 CEAERP CCCCCC[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643067 520133854 /nfs/dbraw/zinc/13/38/54/520133854.db2.gz JCILXWVPXFTTQQ-HUUCEWRRSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061270549 520171035 /nfs/dbraw/zinc/17/10/35/520171035.db2.gz LTEGEHJLYBYHPN-GFCCVEGCSA-N 2 0 263.385 2.075 10 0 CEAERP CCCCC[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075089 520224795 /nfs/dbraw/zinc/22/47/95/520224795.db2.gz HEAQIYWGWBMTKY-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCO[C@@H](C[NH3+])CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000062741240 520307972 /nfs/dbraw/zinc/30/79/72/520307972.db2.gz QTVNVNCXRRKILJ-CQSZACIVSA-N 2 0 256.434 2.498 10 0 CEAERP CCCC[NH+](CCCC)CCN1CCC[NH2+]CC1 ZINC000061274973 520494617 /nfs/dbraw/zinc/49/46/17/520494617.db2.gz BDKBGLJONDQVLU-UHFFFAOYSA-N 2 0 255.450 2.184 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)CC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050948048 520568186 /nfs/dbraw/zinc/56/81/86/520568186.db2.gz SYUHQQDGJYRTEF-HNNXBMFYSA-N 2 0 295.471 2.242 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@H](C[NH2+]CC(C)C)C1 ZINC000053012707 520610084 /nfs/dbraw/zinc/61/00/84/520610084.db2.gz IYJXRQRLZMQHAP-MRXNPFEDSA-N 2 0 269.477 2.286 10 0 CEAERP CCCC[NH2+]C[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075283 520692571 /nfs/dbraw/zinc/69/25/71/520692571.db2.gz LOKFHOISOTZNRC-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)C[C@@H](C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055139435 520712963 /nfs/dbraw/zinc/71/29/63/520712963.db2.gz JVRYUWZKBIVWTK-WLYUNCDWSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075955 521060859 /nfs/dbraw/zinc/06/08/59/521060859.db2.gz WIRWXPSIZIEATE-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CCCC[C@](CC)(C[NH3+])[N@H+](CCCOC)CCOC ZINC000069380373 521253423 /nfs/dbraw/zinc/25/34/23/521253423.db2.gz OOIZJGKMQCGKAY-OAHLLOKOSA-N 2 0 274.449 2.269 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000069381137 521254155 /nfs/dbraw/zinc/25/41/55/521254155.db2.gz IWGGIRZHTOMRKB-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[C@]1(C(=O)Nc2c[nH+]ccc2N(C)C)CCC[NH2+]C1 ZINC000062854820 521300962 /nfs/dbraw/zinc/30/09/62/521300962.db2.gz ZHKZBVUNLCRGND-INIZCTEOSA-N 2 0 290.411 2.256 10 0 CEAERP CCC[N@H+](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052181339 521484448 /nfs/dbraw/zinc/48/44/48/521484448.db2.gz DRPNPQZDNPYELB-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625050 521566624 /nfs/dbraw/zinc/56/66/24/521566624.db2.gz JODDSCMEMACKAW-SFHVURJKSA-N 2 0 289.467 2.363 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]1CCCC1 ZINC000164395505 521617347 /nfs/dbraw/zinc/61/73/47/521617347.db2.gz IPAQOEIRGQPQDI-HOTGVXAUSA-N 2 0 297.487 2.377 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000061654434 521837687 /nfs/dbraw/zinc/83/76/87/521837687.db2.gz IAUSRZJFVIBAOR-AWEZNQCLSA-N 2 0 294.443 2.089 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182061 521970975 /nfs/dbraw/zinc/97/09/75/521970975.db2.gz VQQWGPKIZUBQNW-QGZVFWFLSA-N 2 0 288.435 2.492 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000052423702 522000914 /nfs/dbraw/zinc/00/09/14/522000914.db2.gz KHWUBCZOUBHFSS-HNNXBMFYSA-N 2 0 291.439 2.205 10 0 CEAERP C[NH2+]C[C@@H](OCC[NH+]1CCCCC1)c1ccccc1 ZINC000052671096 522036150 /nfs/dbraw/zinc/03/61/50/522036150.db2.gz HGCZSSSRIGTLQH-MRXNPFEDSA-N 2 0 262.397 2.450 10 0 CEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cc3ccccc3o2)C1 ZINC000068812016 522104425 /nfs/dbraw/zinc/10/44/25/522104425.db2.gz KOMPOVBLIMCEPQ-KBPBESRZSA-N 2 0 273.380 2.069 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000055073706 522119219 /nfs/dbraw/zinc/11/92/19/522119219.db2.gz OXQQWPNKNUNZQY-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+][C@H](C)C(C)C)CC1 ZINC000055075021 522121479 /nfs/dbraw/zinc/12/14/79/522121479.db2.gz DXLDMYGLRRGGSZ-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083397 522123318 /nfs/dbraw/zinc/12/33/18/522123318.db2.gz KEYZGGFOZBUBII-CRAIPNDOSA-N 2 0 287.451 2.117 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083596 522124304 /nfs/dbraw/zinc/12/43/04/522124304.db2.gz FZPKVPVLUCKWHC-WBVHZDCISA-N 2 0 275.440 2.277 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000055065437 522124544 /nfs/dbraw/zinc/12/45/44/522124544.db2.gz LNNXBKFBPUPNQC-PBHICJAKSA-N 2 0 291.439 2.111 10 0 CEAERP C[NH2+]Cc1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000052515274 522126692 /nfs/dbraw/zinc/12/66/92/522126692.db2.gz RBNHIIOZCRIKDR-UHFFFAOYSA-N 3 0 275.440 2.180 10 0 CEAERP C[NH2+]Cc1cccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000052543420 522126840 /nfs/dbraw/zinc/12/68/40/522126840.db2.gz FGWNEYNGQFQBBS-ZDUSSCGKSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055064268 522126871 /nfs/dbraw/zinc/12/68/71/522126871.db2.gz ZAJJWWVKXYPTEX-CYBMUJFWSA-N 2 0 279.403 2.201 10 0 CEAERP COC[C@@H](C)[N@H+](C)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557118 522217104 /nfs/dbraw/zinc/21/71/04/522217104.db2.gz YNJSIYJJGYOIJD-WLYUNCDWSA-N 2 0 256.434 2.497 10 0 CEAERP C[NH2+][C@@H](C)c1ccc(NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000049562088 522332685 /nfs/dbraw/zinc/33/26/85/522332685.db2.gz UEKHCRGNBXHSQV-OLZOCXBDSA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078800 522489822 /nfs/dbraw/zinc/48/98/22/522489822.db2.gz GAXZBPMXMXSNGR-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP COC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560172 522592141 /nfs/dbraw/zinc/59/21/41/522592141.db2.gz BDHDKCREBPYYNF-XGUBFFRZSA-N 2 0 256.434 2.353 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963942 522653303 /nfs/dbraw/zinc/65/33/03/522653303.db2.gz HXTNXGWSOAIHLF-BBWFWOEESA-N 2 0 275.440 2.409 10 0 CEAERP CN(CC[C@H]([NH3+])c1cccc(F)c1)CC[NH+]1CCCC1 ZINC000063053598 522933325 /nfs/dbraw/zinc/93/33/25/522933325.db2.gz AZWYJJQKWNGMAD-INIZCTEOSA-N 2 0 279.403 2.243 10 0 CEAERP COCCC[N@H+](CCOC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055016972 523258960 /nfs/dbraw/zinc/25/89/60/523258960.db2.gz SCDLHJSDZQLAOC-INIZCTEOSA-N 2 0 280.412 2.061 10 0 CEAERP CC[C@@H]1CSC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)=[NH+]1 ZINC000049569539 523522187 /nfs/dbraw/zinc/52/21/87/523522187.db2.gz UCJMHLOWTYQBHE-GRYCIOLGSA-N 2 0 253.415 2.084 10 0 CEAERP CN(c1nc(C(C)(C)C)c(C[NH3+])s1)[C@H]1CCC[N@H+](C)C1 ZINC000054998276 523660855 /nfs/dbraw/zinc/66/08/55/523660855.db2.gz QOLPSVBRSDUSFR-NSHDSACASA-N 2 0 296.484 2.430 10 0 CEAERP COc1ccc(C)cc1[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643496 523855584 /nfs/dbraw/zinc/85/55/84/523855584.db2.gz KVDPMCVKQVLNBL-ZBFHGGJFSA-N 2 0 291.439 2.029 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055075532 523954599 /nfs/dbraw/zinc/95/45/99/523954599.db2.gz JLLCCNHIPURJTN-AWEZNQCLSA-N 2 0 281.469 2.254 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074128 523959744 /nfs/dbraw/zinc/95/97/44/523959744.db2.gz BFKQCUJEGPXBNM-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812113 524053442 /nfs/dbraw/zinc/05/34/42/524053442.db2.gz SDOHBHRHGCAMEG-AWEZNQCLSA-N 2 0 275.396 2.316 10 0 CEAERP C[C@H]1CCC[C@H]([N@H+](C)Cc2ccnc(C(N)=[NH2+])c2)C1 ZINC000068761444 524201482 /nfs/dbraw/zinc/20/14/82/524201482.db2.gz RXXXFFUJXYWPSB-AAEUAGOBSA-N 2 0 260.385 2.376 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507532 524458258 /nfs/dbraw/zinc/45/82/58/524458258.db2.gz NNZVULFRCJAPAN-ZFWWWQNUSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@H](CN1[C@@H]2CCC[C@H]1CC([NH3+])C2)C[NH+]1CCCC1 ZINC000062081020 524588246 /nfs/dbraw/zinc/58/82/46/524588246.db2.gz NGOSVBMGDZEFQO-HNSVSWJLSA-N 2 0 265.445 2.063 10 0 CEAERP C[C@@H]1CC[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125525 524633415 /nfs/dbraw/zinc/63/34/15/524633415.db2.gz QZMRSUKXUBXGFQ-UGUYLWEFSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977568 525016330 /nfs/dbraw/zinc/01/63/30/525016330.db2.gz CPDVZUNEMJCXQZ-XOKHGSTOSA-N 2 0 291.414 2.384 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000061655771 525028816 /nfs/dbraw/zinc/02/88/16/525028816.db2.gz QJTXTPWZDBNESK-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP COc1ncccc1C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC000067872397 525048901 /nfs/dbraw/zinc/04/89/01/525048901.db2.gz YQFSTKXQZJQVKG-UHFFFAOYSA-N 2 0 275.396 2.008 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CCN1CCC[C@@H]1C[NH+](C)C ZINC000061653556 525424026 /nfs/dbraw/zinc/42/40/26/525424026.db2.gz MSXHVXWBIBRSSZ-NVXWUHKLSA-N 2 0 275.440 2.411 10 0 CEAERP CSCC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000069427975 525509454 /nfs/dbraw/zinc/50/94/54/525509454.db2.gz FFPLKTSOJHHITD-PBWFPOADSA-N 2 0 256.459 2.448 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)s1 ZINC000055077177 525952197 /nfs/dbraw/zinc/95/21/97/525952197.db2.gz XZYHLSGOYMSRKV-AWEZNQCLSA-N 2 0 281.469 2.330 10 0 CEAERP Cc1cc(-n2ccnc2CC[NH3+])c2ccccc2[nH+]1 ZINC000052304595 526075755 /nfs/dbraw/zinc/07/57/55/526075755.db2.gz WXTGOUJWXGXVMY-UHFFFAOYSA-N 2 0 252.321 2.230 10 0 CEAERP Cc1oc(C[NH3+])cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573508 526769332 /nfs/dbraw/zinc/76/93/32/526769332.db2.gz FTPNRLUNNQGSFT-UHFFFAOYSA-N 2 0 277.412 2.107 10 0 CEAERP NC(=[NH2+])C[C@@H](c1ccccc1)[N@H+](CCO)C1CCCC1 ZINC000055023332 526816121 /nfs/dbraw/zinc/81/61/21/526816121.db2.gz PALJHXFPXCCPIC-HNNXBMFYSA-N 2 0 275.396 2.291 10 0 CEAERP NNc1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000052718539 527274676 /nfs/dbraw/zinc/27/46/76/527274676.db2.gz PCJBLDJXNQUSPP-ZIAGYGMSSA-N 2 0 260.385 2.379 10 0 CEAERP [NH3+][C@H]1CCCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000048993026 527393820 /nfs/dbraw/zinc/39/38/20/527393820.db2.gz VVOSSDGVNLUCCZ-JKSUJKDBSA-N 2 0 265.445 2.064 10 0 CEAERP CC[NH2+]Cc1cccc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)n1 ZINC000094443319 535479241 /nfs/dbraw/zinc/47/92/41/535479241.db2.gz RMFCFGRTIREVGQ-GOEBONIOSA-N 2 0 288.439 2.254 10 0 CEAERP CC[N@@H+]1CCN(c2cccc(C[NH2+]CC(C)C)n2)C[C@@H]1C ZINC000110749712 535749364 /nfs/dbraw/zinc/74/93/64/535749364.db2.gz IQNAFNDDQLGLDM-HNNXBMFYSA-N 2 0 290.455 2.358 10 0 CEAERP [NH3+]C1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000051692759 624521494 /nfs/dbraw/zinc/52/14/94/624521494.db2.gz GRWMTSMYQBPHCL-JCYILVPMSA-N 2 0 273.424 2.120 10 0 CEAERP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000312122718 628136015 /nfs/dbraw/zinc/13/60/15/628136015.db2.gz WQLGIDZYVFRQFF-RRFJBIMHSA-N 2 0 286.485 2.097 10 0 CEAERP C[C@]1(CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714613 628198236 /nfs/dbraw/zinc/19/82/36/628198236.db2.gz KHGUPRLPGWPTBJ-GOSISDBHSA-N 3 0 287.451 2.240 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017298 343425382 /nfs/dbraw/zinc/42/53/82/343425382.db2.gz XOPPNHNPIYEADD-OAHLLOKOSA-N 2 0 275.396 2.348 10 0 CEAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262301014 344654429 /nfs/dbraw/zinc/65/44/29/344654429.db2.gz QGHBDINKMQPYME-HRCADAONSA-N 2 0 295.471 2.275 10 0 CEAERP [NH3+]CC[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000306890891 344718170 /nfs/dbraw/zinc/71/81/70/344718170.db2.gz WCFACDTWDDRPKJ-VIFPVBQESA-N 2 0 263.566 2.451 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054307965 362526534 /nfs/dbraw/zinc/52/65/34/362526534.db2.gz OAGUVGSHDNSMMP-INIZCTEOSA-N 2 0 297.487 2.203 10 0 CEAERP CCC[NH2+][C@@H](C)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000084392622 178879398 /nfs/dbraw/zinc/87/93/98/178879398.db2.gz QOWRCCMBWIFDAO-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1Cn1c2c(nc1C(C)C)C[NH2+]CC2 ZINC000085568680 179095382 /nfs/dbraw/zinc/09/53/82/179095382.db2.gz WTXYTZPEZGFRIU-CYBMUJFWSA-N 2 0 276.428 2.137 10 0 CEAERP CC(C)c1nc2c(n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000085572732 179097134 /nfs/dbraw/zinc/09/71/34/179097134.db2.gz DGRANCFXDVHOKC-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP CC[N@@H+]1CCC[C@@H](n2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085572807 179098460 /nfs/dbraw/zinc/09/84/60/179098460.db2.gz NYSAEVPXYSWCTR-CYBMUJFWSA-N 2 0 276.428 2.309 10 0 CEAERP COCCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620797 179105291 /nfs/dbraw/zinc/10/52/91/179105291.db2.gz NASAVQJDTVRVKR-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637174 179109677 /nfs/dbraw/zinc/10/96/77/179109677.db2.gz HQSLJAOPYKXDQM-KKUMJFAQSA-N 2 0 266.429 2.121 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225397 179252785 /nfs/dbraw/zinc/25/27/85/179252785.db2.gz RVKASVJOFZVBDT-BRWVUGGUSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225412 179253128 /nfs/dbraw/zinc/25/31/28/179253128.db2.gz UHJZKOZGAZMPMA-BZUAXINKSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH+]1CCC(N2C[C@](C)(CC)[NH2+]C[C@@H]2C)CC1 ZINC000086227331 179254175 /nfs/dbraw/zinc/25/41/75/179254175.db2.gz RFTGNVLDCUMIBI-HOCLYGCPSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH2+]1 ZINC000086259348 179258037 /nfs/dbraw/zinc/25/80/37/179258037.db2.gz SKDWAHDFPPVYNS-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259351 179258485 /nfs/dbraw/zinc/25/84/85/179258485.db2.gz GERDZHUAASHEKD-CVEARBPZSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1CNC(C)(C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261068 179260382 /nfs/dbraw/zinc/26/03/82/179260382.db2.gz QUDOYCDJUFJJIX-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291370 179265197 /nfs/dbraw/zinc/26/51/97/179265197.db2.gz WWQGWETVOVRNCY-ILXRZTDVSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@H](C(C)(C)C)C2)CC1 ZINC000086291529 179266309 /nfs/dbraw/zinc/26/63/09/179266309.db2.gz MFCJZMRHXRVFPM-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@@H](C(C)C)C2)CC1 ZINC000086291546 179266351 /nfs/dbraw/zinc/26/63/51/179266351.db2.gz SGLDCSZXGAPRDS-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP CCOC[C@@H](C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292003 179266980 /nfs/dbraw/zinc/26/69/80/179266980.db2.gz XOXMKNRUIUHVQR-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443650 179293925 /nfs/dbraw/zinc/29/39/25/179293925.db2.gz MISGHJMINIBOKK-GFCCVEGCSA-N 2 0 294.468 2.400 10 0 CEAERP Cc1ccccc1N(C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819523 179347859 /nfs/dbraw/zinc/34/78/59/179347859.db2.gz PPOSPHYXHMYUPE-INIZCTEOSA-N 2 0 261.413 2.244 10 0 CEAERP Cc1csc(CC[NH2+][C@H]2CCC[N@@H+](C)CC2)n1 ZINC000086819110 179348296 /nfs/dbraw/zinc/34/82/96/179348296.db2.gz ATZZUNZEMJYPJU-LBPRGKRZSA-N 2 0 253.415 2.068 10 0 CEAERP CCN(c1ccc(F)cc1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819535 179348843 /nfs/dbraw/zinc/34/88/43/179348843.db2.gz UXQAHRVAZHXRRX-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835407 179349776 /nfs/dbraw/zinc/34/97/76/179349776.db2.gz YDFRJUGLDHLOFO-MRXNPFEDSA-N 2 0 261.413 2.477 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844688 179355721 /nfs/dbraw/zinc/35/57/21/179355721.db2.gz SKUMMVPFMIBJGZ-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccc2F)CC1 ZINC000086847485 179356691 /nfs/dbraw/zinc/35/66/91/179356691.db2.gz DRBVHCNJMJXAGM-QGZVFWFLSA-N 2 0 293.430 2.461 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846918 179356809 /nfs/dbraw/zinc/35/68/09/179356809.db2.gz IUAGEFUZBDVQSP-HUUCEWRRSA-N 2 0 285.501 2.016 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848209 179357120 /nfs/dbraw/zinc/35/71/20/179357120.db2.gz JQDANGOIADGWEX-HNNXBMFYSA-N 2 0 296.484 2.167 10 0 CEAERP CCC[N@@H+]1CCC[C@@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849661 179357534 /nfs/dbraw/zinc/35/75/34/179357534.db2.gz TVPKWMNEEPASRW-KRWDZBQOSA-N 2 0 295.471 2.419 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835004 179350713 /nfs/dbraw/zinc/35/07/13/179350713.db2.gz VXHPERBFWBCDBC-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[C@@H](CN[C@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836665 179351252 /nfs/dbraw/zinc/35/12/52/179351252.db2.gz BCPHVCUNPDVSDE-JKSUJKDBSA-N 2 0 269.477 2.425 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccc(F)c2)CC1 ZINC000086846639 179354828 /nfs/dbraw/zinc/35/48/28/179354828.db2.gz QYMARARPOZVGRQ-QGZVFWFLSA-N 2 0 293.430 2.461 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846279 179355159 /nfs/dbraw/zinc/35/51/59/179355159.db2.gz RMDYACKXPMQGEK-INIZCTEOSA-N 2 0 267.461 2.456 10 0 CEAERP CCCN(CCC)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846508 179355603 /nfs/dbraw/zinc/35/56/03/179355603.db2.gz MQTCAKMPONWDLG-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868538 179360942 /nfs/dbraw/zinc/36/09/42/179360942.db2.gz GGADTYOWRWBUBH-OAHLLOKOSA-N 2 0 270.417 2.136 10 0 CEAERP CCC[N@@H+]1CCC[C@]([NH2+]C2CCCCCC2)(C(N)=O)CC1 ZINC000086849658 179357960 /nfs/dbraw/zinc/35/79/60/179357960.db2.gz TVPKWMNEEPASRW-QGZVFWFLSA-N 2 0 295.471 2.419 10 0 CEAERP COCCC[N@H+](CCOC)[C@@]1(C[NH3+])CCC[C@@H](C)CC1 ZINC000086891127 179366147 /nfs/dbraw/zinc/36/61/47/179366147.db2.gz XBSFBMMHAXGZMK-CVEARBPZSA-N 2 0 286.460 2.269 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087017726 179380758 /nfs/dbraw/zinc/38/07/58/179380758.db2.gz QZHDRGFSMYZDEL-UONOGXRCSA-N 2 0 254.418 2.002 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC2(O)CCCC2)CC1 ZINC000087016388 179380899 /nfs/dbraw/zinc/38/08/99/179380899.db2.gz XRFGAXAYHSCVCY-CYBMUJFWSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087049075 179388771 /nfs/dbraw/zinc/38/87/71/179388771.db2.gz WQXKYAXJADQNTK-GDBMZVCRSA-N 2 0 268.445 2.390 10 0 CEAERP CN(CCC[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128845725 187394085 /nfs/dbraw/zinc/39/40/85/187394085.db2.gz PJVJTUGMAJFDGA-HNNXBMFYSA-N 2 0 261.413 2.245 10 0 CEAERP Cc1nn(C)cc1[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000087410436 179421766 /nfs/dbraw/zinc/42/17/66/179421766.db2.gz CPDZPYCJQWLKNR-BBRMVZONSA-N 2 0 276.428 2.254 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(NCc2ccccc2)CC1 ZINC000087913160 179521917 /nfs/dbraw/zinc/52/19/17/179521917.db2.gz UWMAKXNVXNAHCW-QGZVFWFLSA-N 2 0 275.440 2.370 10 0 CEAERP Cc1ncsc1C[NH2+]C[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089402826 179781660 /nfs/dbraw/zinc/78/16/60/179781660.db2.gz JOVQNIDXDHTOBZ-NEPJUHHUSA-N 2 0 253.415 2.306 10 0 CEAERP CC[NH2+]C1CCC(O)([C@@H]2C[C@H](CC)CC[NH2+]2)CC1 ZINC000089539656 179814215 /nfs/dbraw/zinc/81/42/15/179814215.db2.gz CEKZYZCJPWPKMA-JLVJUDLZSA-N 2 0 254.418 2.048 10 0 CEAERP CCc1ccc([C@H](CC)[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC000090306624 179954768 /nfs/dbraw/zinc/95/47/68/179954768.db2.gz YKQYAOKLHUDXDC-SFHVURJKSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000090566586 180006675 /nfs/dbraw/zinc/00/66/75/180006675.db2.gz QBYJARQMPGGWDZ-MELADBBJSA-N 2 0 256.434 2.367 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)CCc1ccccc1 ZINC000090567221 180006803 /nfs/dbraw/zinc/00/68/03/180006803.db2.gz CVFNZEFDSFSCRR-SJORKVTESA-N 2 0 276.424 2.176 10 0 CEAERP Fc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090892239 180053816 /nfs/dbraw/zinc/05/38/16/180053816.db2.gz KCSIYWBTHYBXOO-BLLLJJGKSA-N 2 0 290.382 2.203 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893499 180054914 /nfs/dbraw/zinc/05/49/14/180054914.db2.gz RSVHGYDUKLKUCR-OAHLLOKOSA-N 2 0 278.371 2.190 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892612 180054951 /nfs/dbraw/zinc/05/49/51/180054951.db2.gz VYMNCSAFAGQPJQ-BBRMVZONSA-N 2 0 292.398 2.449 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907443 180061020 /nfs/dbraw/zinc/06/10/20/180061020.db2.gz YKTGHYCLDJZEJK-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090957983 180074834 /nfs/dbraw/zinc/07/48/34/180074834.db2.gz DEUKIXACMPJQTJ-PHIMTYICSA-N 2 0 253.415 2.407 10 0 CEAERP C[N@H+](Cc1c[nH]c2ncccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000091019405 180088063 /nfs/dbraw/zinc/08/80/63/180088063.db2.gz NYPZXWCCMURKRE-PBWFPOADSA-N 2 0 270.380 2.278 10 0 CEAERP C[N@H+](Cc1c[nH]c2ncccc12)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091019878 180088121 /nfs/dbraw/zinc/08/81/21/180088121.db2.gz SGAQWIKMCNZDRF-BXUZGUMPSA-N 2 0 258.369 2.122 10 0 CEAERP CC[C@@H]1C[N@H+]([C@@H]2CCC[C@H](C[NH3+])C2)C[C@H](CC)O1 ZINC000675054796 539761760 /nfs/dbraw/zinc/76/17/60/539761760.db2.gz ZIDXHCGQMPQVFR-LJISPDSOSA-N 2 0 254.418 2.393 10 0 CEAERP CCC[C@H]1CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314287 180133831 /nfs/dbraw/zinc/13/38/31/180133831.db2.gz MBYIKUUFUINTOI-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC2(C[NH2+]C3CC3)CCCC2)C1 ZINC000091428953 180152934 /nfs/dbraw/zinc/15/29/34/180152934.db2.gz PXQBJSKCGNTSNS-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@H](CCN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091428993 180152998 /nfs/dbraw/zinc/15/29/98/180152998.db2.gz QBSNPAZBRBDDCC-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)(C)[NH2+]Cc1cncc(OCC[NH+]2CCCCC2)n1 ZINC000091434550 180154747 /nfs/dbraw/zinc/15/47/47/180154747.db2.gz DMOXUEBBMWBDIS-UHFFFAOYSA-N 2 0 292.427 2.229 10 0 CEAERP C[C@H]([NH2+]CCN1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000091449269 180157422 /nfs/dbraw/zinc/15/74/22/180157422.db2.gz VSBHPYPAPBHJCI-KBPBESRZSA-N 2 0 281.469 2.425 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091450414 180157839 /nfs/dbraw/zinc/15/78/39/180157839.db2.gz ZDRHNSHCQJHHAO-WFASDCNBSA-N 2 0 290.411 2.264 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091395747 180146569 /nfs/dbraw/zinc/14/65/69/180146569.db2.gz WELKXJMOPYUNLS-GXTWGEPZSA-N 2 0 281.469 2.336 10 0 CEAERP CCC(CC)([C@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634496 180210431 /nfs/dbraw/zinc/21/04/31/180210431.db2.gz VVYASSIDIRDWPK-OAHLLOKOSA-N 2 0 277.412 2.222 10 0 CEAERP CC[NH+](CC)C1(C(=O)Cc2c[nH+]ccc2N)CCCC1 ZINC000091638635 180212728 /nfs/dbraw/zinc/21/27/28/180212728.db2.gz ZFGWHEWKCJBKJQ-UHFFFAOYSA-N 2 0 275.396 2.430 10 0 CEAERP C[C@H]1CCC[C@@](C(=O)Cc2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650332 180216290 /nfs/dbraw/zinc/21/62/90/180216290.db2.gz VZYFCEVRQGTGGM-BLLLJJGKSA-N 2 0 275.396 2.286 10 0 CEAERP C[NH+](C)C1([C@@H](N)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091654097 180217133 /nfs/dbraw/zinc/21/71/33/180217133.db2.gz YXXSTSVPAOOTFU-HNNXBMFYSA-N 2 0 276.428 2.188 10 0 CEAERP C[NH2+][C@H](C)c1sc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1C ZINC000091722414 180239740 /nfs/dbraw/zinc/23/97/40/180239740.db2.gz ZVPPVAMOIFYNMU-JLLWLGSASA-N 2 0 281.425 2.268 10 0 CEAERP Cc1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)sc1[C@@H](C)[NH3+] ZINC000091722412 180240447 /nfs/dbraw/zinc/24/04/47/180240447.db2.gz GDHXVSVPSGASKM-IEBDPFPHSA-N 2 0 267.398 2.007 10 0 CEAERP CCC[N@H+](CC(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091852484 180273003 /nfs/dbraw/zinc/27/30/03/180273003.db2.gz RUFSPCWDXGGBNI-UHFFFAOYSA-N 2 0 281.444 2.027 10 0 CEAERP CC[N@H+](CC(=O)NC1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091850752 180271702 /nfs/dbraw/zinc/27/17/02/180271702.db2.gz MKOLSQSTCQTGQW-UHFFFAOYSA-N 2 0 295.471 2.273 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@H](O)C(F)(F)F)CC1 ZINC000091870006 180277438 /nfs/dbraw/zinc/27/74/38/180277438.db2.gz PMUHJECRLMVJGT-MCIGGMRASA-N 2 0 282.350 2.152 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cncn2C2CC2)CC1 ZINC000091871220 180277482 /nfs/dbraw/zinc/27/74/82/180277482.db2.gz AWYMZBDLVQAQBO-UHFFFAOYSA-N 2 0 262.401 2.180 10 0 CEAERP C[C@@](O)([C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091907931 180284066 /nfs/dbraw/zinc/28/40/66/180284066.db2.gz JYCUXHBMUMDTFM-UKRRQHHQSA-N 2 0 268.445 2.282 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000092133733 180331173 /nfs/dbraw/zinc/33/11/73/180331173.db2.gz XNYHVWLJKHIKJP-ZDUSSCGKSA-N 2 0 277.412 2.322 10 0 CEAERP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000092133788 180331533 /nfs/dbraw/zinc/33/15/33/180331533.db2.gz COPLESNWAYQHKS-CYBMUJFWSA-N 2 0 275.396 2.076 10 0 CEAERP CCC[NH2+][C@@H]1CCC2(C[C@H]1[N@@H+]1C[C@H](C)[C@H](C)C1)OCCO2 ZINC000092084321 180320487 /nfs/dbraw/zinc/32/04/87/180320487.db2.gz WYTRFDLDGPXIFE-QKPAOTATSA-N 2 0 296.455 2.238 10 0 CEAERP CC[NH2+]Cc1nc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cs1 ZINC000092089349 180321776 /nfs/dbraw/zinc/32/17/76/180321776.db2.gz HDBLOJAYNZVBPM-PHIMTYICSA-N 2 0 253.415 2.340 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092302685 180359701 /nfs/dbraw/zinc/35/97/01/180359701.db2.gz GWHGZDMQEQDDJO-HNNXBMFYSA-N 2 0 274.408 2.484 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417247 180381510 /nfs/dbraw/zinc/38/15/10/180381510.db2.gz SZMNDTYONGUVSI-LLVKDONJSA-N 2 0 253.777 2.296 10 0 CEAERP CNc1cc[nH+]c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000092419152 180382031 /nfs/dbraw/zinc/38/20/31/180382031.db2.gz MAVZWDHFIWPSID-INIZCTEOSA-N 2 0 274.412 2.184 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000109496063 186257036 /nfs/dbraw/zinc/25/70/36/186257036.db2.gz MQIGBJAMLSZEFX-WCQYABFASA-N 2 0 268.405 2.041 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000109463110 186254184 /nfs/dbraw/zinc/25/41/84/186254184.db2.gz ZXPNQPMHUXNXJA-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C(=[NH2+])NC2CCCCC2)C1 ZINC000110368897 186294143 /nfs/dbraw/zinc/29/41/43/186294143.db2.gz BMSHQOMHTIUHKR-AWEZNQCLSA-N 2 0 266.433 2.260 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CC[N@H+](C)C(C)C ZINC000110630143 186307400 /nfs/dbraw/zinc/30/74/00/186307400.db2.gz GYULZPCMSGNMBB-UHFFFAOYSA-N 2 0 280.347 2.106 10 0 CEAERP CC[N@@H+]1CCC[C@H]1Cn1c(N)[nH+]c2cc(F)c(OC)cc21 ZINC000110629265 186307952 /nfs/dbraw/zinc/30/79/52/186307952.db2.gz GRVDDSBYJDBHAF-JTQLQIEISA-N 2 0 292.358 2.251 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000110645178 186308397 /nfs/dbraw/zinc/30/83/97/186308397.db2.gz WBAWXJHIVJHQLY-MAUKXSAKSA-N 2 0 287.451 2.320 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000110649641 186310013 /nfs/dbraw/zinc/31/00/13/186310013.db2.gz VCOHPRCQBJROMC-LLVKDONJSA-N 2 0 258.369 2.122 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)CC2)on1 ZINC000110812641 186326370 /nfs/dbraw/zinc/32/63/70/186326370.db2.gz CCUQSCAFUXKSCM-GFCCVEGCSA-N 2 0 251.374 2.406 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110840542 186328373 /nfs/dbraw/zinc/32/83/73/186328373.db2.gz QVTNHPUCLAWLBO-MRXNPFEDSA-N 2 0 283.460 2.131 10 0 CEAERP C[N@H+](C[C@@H](O)c1ccc(C[NH3+])cc1)CC1CCCC1 ZINC000110833963 186328518 /nfs/dbraw/zinc/32/85/18/186328518.db2.gz MZBQKJWPAJCRCB-MRXNPFEDSA-N 2 0 262.397 2.301 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccsc2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704086 186313618 /nfs/dbraw/zinc/31/36/18/186313618.db2.gz DQGRIXICQHVFJZ-MRVWCRGKSA-N 2 0 267.442 2.162 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705022 186314115 /nfs/dbraw/zinc/31/41/15/186314115.db2.gz SAJYCYXCMQBRRW-OCCSQVGLSA-N 2 0 265.401 2.084 10 0 CEAERP CCOc1ccc([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716536 186316295 /nfs/dbraw/zinc/31/62/95/186316295.db2.gz IEEPHPJDDLMTGQ-MRXNPFEDSA-N 2 0 291.439 2.111 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110724197 186317101 /nfs/dbraw/zinc/31/71/01/186317101.db2.gz NQWPIAHAHMEMER-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP CC[C@@H]1CN(C[C@@](C)(CC)C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110746513 186318710 /nfs/dbraw/zinc/31/87/10/186318710.db2.gz FREQALNJFLMQSC-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]Cc1cccc(CN2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110751480 186321661 /nfs/dbraw/zinc/32/16/61/186321661.db2.gz OOTPUVUGSHKNBB-HNNXBMFYSA-N 2 0 275.440 2.321 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N(C)CCC[NH+](C)C)nc1C ZINC000111151376 186360416 /nfs/dbraw/zinc/36/04/16/186360416.db2.gz ZCNCGUVVMLLMMR-JTQLQIEISA-N 2 0 270.446 2.120 10 0 CEAERP CN(CCC[NH+](C)C)Cc1cccc(C[NH2+]C2CC2)c1 ZINC000111150174 186360704 /nfs/dbraw/zinc/36/07/04/186360704.db2.gz IDLIMEZAEDHYKQ-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP C[N@H+](CC1CCOCC1)[C@@H](CC[NH3+])c1ccccc1 ZINC000111157527 186362068 /nfs/dbraw/zinc/36/20/68/186362068.db2.gz QIAZRVIZUZELEF-INIZCTEOSA-N 2 0 262.397 2.435 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131163 186356295 /nfs/dbraw/zinc/35/62/95/186356295.db2.gz OKHALBQTSRZFQH-HOTGVXAUSA-N 2 0 281.419 2.488 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(C)CC[NH+](C)C ZINC000111129689 186356329 /nfs/dbraw/zinc/35/63/29/186356329.db2.gz IGXCMAVIJRQSCT-LSDHHAIUSA-N 2 0 267.392 2.098 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000111131342 186356733 /nfs/dbraw/zinc/35/67/33/186356733.db2.gz HYWYIPORNUQANH-DGCLKSJQSA-N 2 0 255.431 2.020 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)CC[NH+](C)C ZINC000111135523 186356924 /nfs/dbraw/zinc/35/69/24/186356924.db2.gz YDQHKVYUJZIDGU-IRXDYDNUSA-N 2 0 275.440 2.145 10 0 CEAERP COCC[NH2+]Cc1c(Cl)cccc1N(C)CC[NH+](C)C ZINC000111140333 186357601 /nfs/dbraw/zinc/35/76/01/186357601.db2.gz CIHSUJXTUWGQGR-UHFFFAOYSA-N 2 0 299.846 2.074 10 0 CEAERP Cc1cc(C)c([C@@H]([NH3+])CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111135863 186357770 /nfs/dbraw/zinc/35/77/70/186357770.db2.gz FRNIIYCEOJKXDL-INIZCTEOSA-N 2 0 277.456 2.495 10 0 CEAERP C[NH2+][C@@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135437 186357912 /nfs/dbraw/zinc/35/79/12/186357912.db2.gz ALZPSPKRKPNMGJ-KSZLIROESA-N 2 0 289.467 2.404 10 0 CEAERP CC[NH2+][C@H](C)c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000111138473 186358044 /nfs/dbraw/zinc/35/80/44/186358044.db2.gz ADHNWZPCCGZVJI-GFCCVEGCSA-N 2 0 267.392 2.494 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)CCC[NH+](C)C ZINC000111136322 186358132 /nfs/dbraw/zinc/35/81/32/186358132.db2.gz OEYUWMGDZZCBLF-SJORKVTESA-N 2 0 275.440 2.145 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN(C)CCC[NH+](C)C)cc1 ZINC000111147893 186358469 /nfs/dbraw/zinc/35/84/69/186358469.db2.gz FYRBWHLAIFUBPB-MRXNPFEDSA-N 2 0 263.429 2.268 10 0 CEAERP CN(CC[NH+](C)C)C[C@@](C)(C[NH2+]C1CC1)c1ccccc1 ZINC000111146641 186358524 /nfs/dbraw/zinc/35/85/24/186358524.db2.gz SOKKLTBRSVSPLT-GOSISDBHSA-N 2 0 289.467 2.190 10 0 CEAERP C[NH2+][C@@H](CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147565 186358842 /nfs/dbraw/zinc/35/88/42/186358842.db2.gz PYNPXBDCWMCUOL-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP CN(CCC[NH+](C)C)c1cc(CO)[nH+]c2ccccc21 ZINC000111141465 186358847 /nfs/dbraw/zinc/35/88/47/186358847.db2.gz YUDOSRNCCKYHCX-UHFFFAOYSA-N 2 0 273.380 2.115 10 0 CEAERP C[NH2+][C@H](CCN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147567 186359578 /nfs/dbraw/zinc/35/95/78/186359578.db2.gz PYNPXBDCWMCUOL-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CN(CC[NH+](C)C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000111149903 186359763 /nfs/dbraw/zinc/35/97/63/186359763.db2.gz IYTYEESEKOJUOZ-UHFFFAOYSA-N 2 0 267.417 2.161 10 0 CEAERP CC[N@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324689 186398072 /nfs/dbraw/zinc/39/80/72/186398072.db2.gz SHQLNLVCPGMJGI-HNNXBMFYSA-N 2 0 252.402 2.020 10 0 CEAERP CCC[NH2+]C[C@]1(CN(CCC)CC[NH+](C)C)CCCOC1 ZINC000111327467 186398134 /nfs/dbraw/zinc/39/81/34/186398134.db2.gz ZTPXJUZVMYULIY-KRWDZBQOSA-N 2 0 299.503 2.056 10 0 CEAERP Cc1[nH+]ccc(N[C@H]2CC[C@H](C[NH3+])CC2)c1Cl ZINC000630558047 351785776 /nfs/dbraw/zinc/78/57/76/351785776.db2.gz JWJYKFZFVBCIPQ-XYPYZODXSA-N 2 0 253.777 2.395 10 0 CEAERP CCCCOC(=O)CN1CCC[C@H](n2ccnc2CC)C1 ZINC000155230368 188192094 /nfs/dbraw/zinc/19/20/94/188192094.db2.gz RIONBSJFGILFBN-AWEZNQCLSA-N 2 0 293.411 2.426 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251855761 539992806 /nfs/dbraw/zinc/99/28/06/539992806.db2.gz RYSGPXQFYHSXDE-PMPSAXMXSA-N 2 0 295.471 2.083 10 0 CEAERP Cc1ccc([C@@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338080 366639654 /nfs/dbraw/zinc/63/96/54/366639654.db2.gz SFYGSMQDYYJRFN-NVXWUHKLSA-N 2 0 276.424 2.492 10 0 CEAERP C[NH+](C)CCn1cccc1[C@H]([NH3+])Cc1ccccc1 ZINC000011848794 361366267 /nfs/dbraw/zinc/36/62/67/361366267.db2.gz BQBCUPTXSPOULJ-OAHLLOKOSA-N 2 0 257.381 2.292 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000245428805 370818573 /nfs/dbraw/zinc/81/85/73/370818573.db2.gz JMLLLDRTXNURDW-YHUYYLMFSA-N 2 0 295.471 2.190 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1C[NH3+] ZINC000635000370 369035960 /nfs/dbraw/zinc/03/59/60/369035960.db2.gz MWSRWJXJTXQOBH-WFASDCNBSA-N 2 0 255.365 2.261 10 0 CEAERP c1ccc(C[N@@H+]2CCCCC[C@@H](N[C@H]3CC[NH2+]C3)C2)cc1 ZINC000635023070 369059164 /nfs/dbraw/zinc/05/91/64/369059164.db2.gz RLMADAWTROWQGQ-ZWKOTPCHSA-N 2 0 287.451 2.383 10 0 CEAERP C[N@H+](Cc1ccc(-n2cccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231453813 370479388 /nfs/dbraw/zinc/47/93/88/370479388.db2.gz ZKOLCYYIDAENNV-MRXNPFEDSA-N 2 0 284.407 2.446 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000234740785 370541725 /nfs/dbraw/zinc/54/17/25/370541725.db2.gz BQJISDNNIPVCLM-CMPLNLGQSA-N 2 0 272.339 2.369 10 0 CEAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261611842 371677631 /nfs/dbraw/zinc/67/76/31/371677631.db2.gz DZFJEIFTQUXWJJ-SOUVJXGZSA-N 2 0 290.407 2.133 10 0 CEAERP CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261579778 371659356 /nfs/dbraw/zinc/65/93/56/371659356.db2.gz DXLJHONWXHRZEF-AEGPPILISA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261810047 371739471 /nfs/dbraw/zinc/73/94/71/371739471.db2.gz RLFHYFWZAQJFMW-MSOLQXFVSA-N 2 0 287.451 2.050 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@@H]12 ZINC000261765175 371723845 /nfs/dbraw/zinc/72/38/45/371723845.db2.gz OCTVSOGPCIZWNQ-BZUAXINKSA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(-c4ccco4)on3)C[C@@H]12 ZINC000261662482 371695349 /nfs/dbraw/zinc/69/53/49/371695349.db2.gz FFOBKGVELHJXLS-CYZMBNFOSA-N 2 0 273.336 2.104 10 0 CEAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@@H](C)C1 ZINC000261927688 371773331 /nfs/dbraw/zinc/77/33/31/371773331.db2.gz LEHHLRIKAVTNIE-RBSFLKMASA-N 2 0 254.418 2.123 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324885 205219411 /nfs/dbraw/zinc/21/94/11/205219411.db2.gz VBNPYKOVQASYLB-TYNCELHUSA-N 2 0 273.380 2.320 10 0 CEAERP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333466419 205344742 /nfs/dbraw/zinc/34/47/42/205344742.db2.gz HMTILSQFKZKWTD-OCCSQVGLSA-N 2 0 291.443 2.330 10 0 CEAERP COc1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000564824041 377467253 /nfs/dbraw/zinc/46/72/53/377467253.db2.gz RHQIGCUBWHCDRX-KGLIPLIRSA-N 2 0 278.396 2.052 10 0 CEAERP CC[C@@H]1CCC[N@H+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085240515 184608786 /nfs/dbraw/zinc/60/87/86/184608786.db2.gz QQKXXIWPPPHDCG-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000093488512 184683179 /nfs/dbraw/zinc/68/31/79/184683179.db2.gz MMDKETBJCVBJNZ-TWMKSMIVSA-N 2 0 281.488 2.473 10 0 CEAERP CC[N@H+](CC[C@H]1CCC[C@@]1(CO)[NH2+]C)C1CCCC1 ZINC000093616877 184696125 /nfs/dbraw/zinc/69/61/25/184696125.db2.gz BNYWLYNMXVCNRC-ZBFHGGJFSA-N 2 0 268.445 2.392 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000094443857 184800230 /nfs/dbraw/zinc/80/02/30/184800230.db2.gz LYFCBJUXFRJSNY-OAHLLOKOSA-N 2 0 293.480 2.316 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H](N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000094459807 184804784 /nfs/dbraw/zinc/80/47/84/184804784.db2.gz KUGYTJRAWFSYQK-BZUAXINKSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+][C@H]1[C@H](C[N@H+](C)CC2CC[NH+](C)CC2)CCC1(C)C ZINC000094318604 184780160 /nfs/dbraw/zinc/78/01/60/184780160.db2.gz FRUDOEDXOJHZNM-HOTGVXAUSA-N 3 0 281.488 2.284 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094384281 184792043 /nfs/dbraw/zinc/79/20/43/184792043.db2.gz UITIYAMXNLRXCH-OAHLLOKOSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)CC1(C[NH2+]CCN2CC[NH2+]CC2)CCCC1 ZINC000094879521 184886107 /nfs/dbraw/zinc/88/61/07/184886107.db2.gz OSTZVUQERHJSGR-UHFFFAOYSA-N 2 0 267.461 2.088 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091429049 135069821 /nfs/dbraw/zinc/06/98/21/135069821.db2.gz VRDNSZUCLQRYSV-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000093220980 135079842 /nfs/dbraw/zinc/07/98/42/135079842.db2.gz IMJFYFAXFCNYBI-DOTOQJQBSA-N 2 0 273.424 2.387 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444589 135088962 /nfs/dbraw/zinc/08/89/62/135088962.db2.gz LTIYQZSKTVJUQE-RHSMWYFYSA-N 2 0 273.424 2.251 10 0 CEAERP c1cc(C[NH2+]C2CC2)nc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094443216 135088987 /nfs/dbraw/zinc/08/89/87/135088987.db2.gz JMLRPPKIQAAGSQ-MRXNPFEDSA-N 2 0 286.423 2.008 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250978763 296563580 /nfs/dbraw/zinc/56/35/80/296563580.db2.gz BCNGRVUWEZIURC-YIDVYQOGSA-N 2 0 266.429 2.048 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000251153924 296563634 /nfs/dbraw/zinc/56/36/34/296563634.db2.gz KNEUARUEQWKDPN-ZHCJQAHYSA-N 2 0 280.456 2.438 10 0 CEAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)CC[NH3+] ZINC000263028899 154009876 /nfs/dbraw/zinc/00/98/76/154009876.db2.gz RSBKUZWWHJMQEB-QLPKVWCKSA-N 2 0 275.440 2.034 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000177423532 165199172 /nfs/dbraw/zinc/19/91/72/165199172.db2.gz JMLLLDRTXNURDW-QKPAOTATSA-N 2 0 295.471 2.190 10 0 CEAERP COc1ccc(CCC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000011889096 170453621 /nfs/dbraw/zinc/45/36/21/170453621.db2.gz VRRQLWYETUJYEY-UHFFFAOYSA-N 2 0 262.397 2.299 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000020179375 171044451 /nfs/dbraw/zinc/04/44/51/171044451.db2.gz WOHFYJUBIWZXCF-CYBMUJFWSA-N 2 0 267.442 2.022 10 0 CEAERP C[N@H+](Cc1cc(C[NH3+])ccc1F)[C@H]1CCSC1 ZINC000035725206 172379910 /nfs/dbraw/zinc/37/99/10/172379910.db2.gz PYJGQSNYEBNNRC-LBPRGKRZSA-N 2 0 254.374 2.222 10 0 CEAERP CC(C)C[C@@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1)[NH+](C)C ZINC000037221705 173042387 /nfs/dbraw/zinc/04/23/87/173042387.db2.gz XAWYRTURERWXRS-XHSDSOJGSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622557 174355868 /nfs/dbraw/zinc/35/58/68/174355868.db2.gz RVBXLQYALQDQAX-HOTGVXAUSA-N 3 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCc2nccn2C)CC1 ZINC000040639030 174363316 /nfs/dbraw/zinc/36/33/16/174363316.db2.gz VAOIESVKNQYVCQ-CQSZACIVSA-N 2 0 278.444 2.063 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C[NH2+]C2CCCC2)([NH+](C)C)C1 ZINC000040670595 174368857 /nfs/dbraw/zinc/36/88/57/174368857.db2.gz USPDDRCIHJNGMH-PBHICJAKSA-N 2 0 295.471 2.145 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1C ZINC000043314442 175004050 /nfs/dbraw/zinc/00/40/50/175004050.db2.gz WCWMFOCYJQDDPG-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP CCc1ccc([C@@H](CN2CC[NH+](CC)CC2)[NH2+]C)cc1 ZINC000043805885 175108037 /nfs/dbraw/zinc/10/80/37/175108037.db2.gz HZAKKSJTAFMJIT-QGZVFWFLSA-N 2 0 275.440 2.147 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](CC)CC1)C(C)(C)C ZINC000043806177 175108561 /nfs/dbraw/zinc/10/85/61/175108561.db2.gz OPYOAFUIROJURF-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810466 175109900 /nfs/dbraw/zinc/10/99/00/175109900.db2.gz UDCSXEBFCHPGGX-KURKYZTESA-N 2 0 287.451 2.158 10 0 CEAERP CC[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000043815313 175112171 /nfs/dbraw/zinc/11/21/71/175112171.db2.gz HLBOVMBAZISCIU-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818463 175112811 /nfs/dbraw/zinc/11/28/11/175112811.db2.gz AVGZFMWQRXJICZ-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)c1ccccc1C ZINC000043896948 175119754 /nfs/dbraw/zinc/11/97/54/175119754.db2.gz HNRJQIJXXRIALQ-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967511 175128573 /nfs/dbraw/zinc/12/85/73/175128573.db2.gz XWKLUVJQDHSXAS-YOEHRIQHSA-N 2 0 273.424 2.116 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970793 175132072 /nfs/dbraw/zinc/13/20/72/175132072.db2.gz SBDIJELGMVZWOJ-GOEBONIOSA-N 2 0 269.477 2.427 10 0 CEAERP C[N@H+](CC(=O)Nc1ccccc1C[NH3+])CC(C)(C)C ZINC000045068449 175299945 /nfs/dbraw/zinc/29/99/45/175299945.db2.gz UUBCIQXKUWPXQJ-UHFFFAOYSA-N 2 0 263.385 2.062 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379086 175368382 /nfs/dbraw/zinc/36/83/82/175368382.db2.gz RARQMUNRBDWWNQ-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391459 175374547 /nfs/dbraw/zinc/37/45/47/175374547.db2.gz YSFXCKOFNARDSF-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CC[NH2+][C@@](C)(CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)C(N)=O ZINC000045419354 175377756 /nfs/dbraw/zinc/37/77/56/175377756.db2.gz NCMPGLFULYSGTJ-UXLLHSPISA-N 2 0 295.471 2.132 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(N)=O ZINC000045420996 175380281 /nfs/dbraw/zinc/38/02/81/175380281.db2.gz XTUSCIKCZLXUIL-XJKSGUPXSA-N 2 0 285.476 2.377 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038079 176026780 /nfs/dbraw/zinc/02/67/80/176026780.db2.gz IJZNDBGYXWORKK-HOTGVXAUSA-N 2 0 297.487 2.488 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C(C)C)CC2)C1 ZINC000071123428 176035491 /nfs/dbraw/zinc/03/54/91/176035491.db2.gz YIILNGOWFABQQC-CVEARBPZSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@H]([NH+]2CCN(C[C@@H](C)C[NH3+])CC2)C1 ZINC000071147444 176043389 /nfs/dbraw/zinc/04/33/89/176043389.db2.gz FTRLHQJFWFTQLU-JYJNAYRXSA-N 2 0 267.461 2.168 10 0 CEAERP CC[C@H](C)C[C@H](CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148937 176044805 /nfs/dbraw/zinc/04/48/05/176044805.db2.gz YCRUNDUMMIARFS-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071162214 176046243 /nfs/dbraw/zinc/04/62/43/176046243.db2.gz HTRRETKXEXMOSI-IXDOHACOSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H](C[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188446 176062513 /nfs/dbraw/zinc/06/25/13/176062513.db2.gz SWOCKCVDRCRMJJ-JZXOWHBKSA-N 2 0 289.467 2.391 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)ccc1F ZINC000071188360 176062864 /nfs/dbraw/zinc/06/28/64/176062864.db2.gz PDBDEKHROCMLIQ-CZUORRHYSA-N 2 0 279.403 2.017 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188357 176063188 /nfs/dbraw/zinc/06/31/88/176063188.db2.gz IEEMEGRUDWEBFS-CJNGLKHVSA-N 2 0 279.403 2.017 10 0 CEAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)cc1C ZINC000071188855 176064035 /nfs/dbraw/zinc/06/40/35/176064035.db2.gz UHIFMSCWUDFMDA-AEFFLSMTSA-N 2 0 289.467 2.447 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189002 176064318 /nfs/dbraw/zinc/06/43/18/176064318.db2.gz JZKBBHAOMRZYLG-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](C)CCCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188971 176064335 /nfs/dbraw/zinc/06/43/35/176064335.db2.gz TUIORZVYWGLZNB-CABCVRRESA-N 3 0 255.450 2.038 10 0 CEAERP CN(CC[C@H]([NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191265 176070426 /nfs/dbraw/zinc/07/04/26/176070426.db2.gz PKTLPVVINSSAAO-CJNGLKHVSA-N 2 0 279.403 2.099 10 0 CEAERP CC[NH2+][C@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071198102 176076521 /nfs/dbraw/zinc/07/65/21/176076521.db2.gz OXWLSAQOQFNQAZ-KRWDZBQOSA-N 2 0 287.451 2.335 10 0 CEAERP CCC[NH+]1CCC(N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071201395 176078366 /nfs/dbraw/zinc/07/83/66/176078366.db2.gz HUQCBWFFIPWDHU-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP COCC[N@H+](CCCCCC[NH2+]C1CC1)[C@H](C)COC ZINC000071289725 176110418 /nfs/dbraw/zinc/11/04/18/176110418.db2.gz GHBRCEWPMNLCDU-OAHLLOKOSA-N 2 0 286.460 2.282 10 0 CEAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]C(C)C)c1 ZINC000071406662 176156384 /nfs/dbraw/zinc/15/63/84/176156384.db2.gz DIVPPPWXWYEURZ-UHFFFAOYSA-N 2 0 250.386 2.433 10 0 CEAERP Cc1ccc(OCC[NH+]2CCCC2)c(C[C@@H](C)[NH3+])c1 ZINC000071411875 176157422 /nfs/dbraw/zinc/15/74/22/176157422.db2.gz LLUIYFMXRWPMGI-CQSZACIVSA-N 2 0 262.397 2.359 10 0 CEAERP C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H](CC[NH3+])O1 ZINC000071589153 176217434 /nfs/dbraw/zinc/21/74/34/176217434.db2.gz BKXKMJIRZNGDCZ-ZBFHGGJFSA-N 2 0 262.397 2.057 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079241950 177454545 /nfs/dbraw/zinc/45/45/45/177454545.db2.gz SOXWHEKGZAWCET-CVEARBPZSA-N 2 0 297.487 2.380 10 0 CEAERP CC1(C)CC[C@@H]([NH3+])[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000079625960 177529048 /nfs/dbraw/zinc/52/90/48/177529048.db2.gz RPFPHJHNKUIVPW-RRFJBIMHSA-N 2 0 265.445 2.063 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CC(C)(C)CC[C@H]2[NH3+])CC1 ZINC000079669426 177533837 /nfs/dbraw/zinc/53/38/37/177533837.db2.gz KXWZECAIPVNTJH-JKSUJKDBSA-N 3 0 281.488 2.414 10 0 CEAERP CC1(C)[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@@H]1O ZINC000336314851 276162925 /nfs/dbraw/zinc/16/29/25/276162925.db2.gz FEKVLIHMRZZICB-CABCVRRESA-N 2 0 266.429 2.142 10 0 CEAERP CCC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](C)C ZINC000137903222 280069680 /nfs/dbraw/zinc/06/96/80/280069680.db2.gz HDUWSIGUTKKUEE-ZMSDIMECSA-N 2 0 297.487 2.343 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCC(F)(F)C3)C[C@@H]12 ZINC000261588643 295321302 /nfs/dbraw/zinc/32/13/02/295321302.db2.gz VVCVOOPZBVQQKM-FDYHWXHSSA-N 2 0 258.356 2.481 10 0 CEAERP CCC[C@H](C(=O)NCC[C@@H](C)[NH+]1CCCCC1)[NH+](C)C ZINC000183102429 321709706 /nfs/dbraw/zinc/70/97/06/321709706.db2.gz UZZHSQKJUHLMTC-HUUCEWRRSA-N 2 0 283.460 2.097 10 0 CEAERP CCC(CC)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887095 322351618 /nfs/dbraw/zinc/35/16/18/322351618.db2.gz AESNDXGORFSZBG-KBMXLJTQSA-N 2 0 269.477 2.331 10 0 CEAERP CC[NH2+]CC1(CN2CCC[C@@H]2C[NH+](C)C)CCCC1 ZINC000061653474 519912750 /nfs/dbraw/zinc/91/27/50/519912750.db2.gz QNSOJLPFDCLIKH-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC(C)C)C2CC2)O1 ZINC000052515884 519954117 /nfs/dbraw/zinc/95/41/17/519954117.db2.gz NABXDVQJHHTHOJ-LSDHHAIUSA-N 2 0 254.418 2.264 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](CC)Cc1ccccc1 ZINC000062740799 520307799 /nfs/dbraw/zinc/30/77/99/520307799.db2.gz NWUOMKATGURBKK-OAHLLOKOSA-N 2 0 250.386 2.262 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052544284 521657811 /nfs/dbraw/zinc/65/78/11/521657811.db2.gz CPSRUZPDUBTLMU-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CC[NH+]1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054559460 521687180 /nfs/dbraw/zinc/68/71/80/521687180.db2.gz WGKTYAIZZSBSRR-BBWFWOEESA-N 2 0 281.488 2.284 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2sccc2C)CC1 ZINC000055064037 522129267 /nfs/dbraw/zinc/12/92/67/522129267.db2.gz SDBKNVAAEVDFKH-KGLIPLIRSA-N 2 0 281.469 2.472 10 0 CEAERP C(C[N@@H+]1CCC[C@@H]1C1CCCC1)[NH2+]C1CCOCC1 ZINC000062767795 518388714 /nfs/dbraw/zinc/38/87/14/518388714.db2.gz SJGMJMZKGLWKIG-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266162 518713561 /nfs/dbraw/zinc/71/35/61/518713561.db2.gz BYYLTNHTKYEXFH-MRXNPFEDSA-N 2 0 273.424 2.247 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078308 519687462 /nfs/dbraw/zinc/68/74/62/519687462.db2.gz NDOLNYWAJMDUTO-INIZCTEOSA-N 2 0 269.477 2.414 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419884 519721003 /nfs/dbraw/zinc/72/10/03/519721003.db2.gz ZVKMREPYLQDDGM-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000055076028 519726148 /nfs/dbraw/zinc/72/61/48/519726148.db2.gz FFSOTZTZRIINCK-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])C[C@@H](C)CC[C@@H]2C)CC1 ZINC000068629278 519727874 /nfs/dbraw/zinc/72/78/74/519727874.db2.gz UAWPOLMDVXZGQX-YESZJQIVSA-N 2 0 281.488 2.414 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000055078701 519728165 /nfs/dbraw/zinc/72/81/65/519728165.db2.gz URDBDEHJLFPFOC-YESZJQIVSA-N 2 0 281.488 2.412 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2cccs2)[C@H](C)[NH3+])CC1 ZINC000055077311 519728609 /nfs/dbraw/zinc/72/86/09/519728609.db2.gz BVTXZQZPBGINRH-ZFWWWQNUSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)C[NH+]1CCN(c2ncccc2C[NH2+]C(C)C)CC1 ZINC000055082455 519728832 /nfs/dbraw/zinc/72/88/32/519728832.db2.gz QAGHKFPPXOGRCY-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062036417 519744489 /nfs/dbraw/zinc/74/44/89/519744489.db2.gz FVHBYDUSFVEQTH-MRXNPFEDSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CC[C@@H](C)C2)O1 ZINC000052484650 519746482 /nfs/dbraw/zinc/74/64/82/519746482.db2.gz IQBBGRMXBBLCMF-KFWWJZLASA-N 2 0 254.418 2.121 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)CC(C)(C)C)nn1 ZINC000052570126 519748059 /nfs/dbraw/zinc/74/80/59/519748059.db2.gz YTHQGHULYXWUSB-UHFFFAOYSA-N 2 0 281.448 2.002 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)c(C)c2)CC1 ZINC000050545867 519859707 /nfs/dbraw/zinc/85/97/07/519859707.db2.gz VJANZLNAADLGRH-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccccc2CC)CC1 ZINC000052203369 519859821 /nfs/dbraw/zinc/85/98/21/519859821.db2.gz RQUFSAYDOBQAID-KRWDZBQOSA-N 2 0 275.440 2.276 10 0 CEAERP CCC[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856550 519860040 /nfs/dbraw/zinc/86/00/40/519860040.db2.gz MPDQMGQHDODJSJ-UHFFFAOYSA-N 2 0 267.804 2.331 10 0 CEAERP CC[NH2+]C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000061299601 519908438 /nfs/dbraw/zinc/90/84/38/519908438.db2.gz LVFWQENJJJLJKH-UHFFFAOYSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480092 519913070 /nfs/dbraw/zinc/91/30/70/519913070.db2.gz OQUDMGUPEKXZFR-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000061948365 519913089 /nfs/dbraw/zinc/91/30/89/519913089.db2.gz WCXUIZLLMMWVJF-CYBMUJFWSA-N 2 0 295.393 2.335 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](C)CCOC)oc1C ZINC000052572806 519944275 /nfs/dbraw/zinc/94/42/75/519944275.db2.gz UVUDIAIEKPRQIT-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]C[C@@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC000052670538 519947816 /nfs/dbraw/zinc/94/78/16/519947816.db2.gz ZXAFKLHPTUOTHK-MRXNPFEDSA-N 2 0 262.397 2.450 10 0 CEAERP CCC[NH2+]Cc1ccccc1N1CC[NH+](C2CC2)CC1 ZINC000048995451 519955864 /nfs/dbraw/zinc/95/58/64/519955864.db2.gz AKHIREGYARTQTD-UHFFFAOYSA-N 2 0 273.424 2.471 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061654265 519958615 /nfs/dbraw/zinc/95/86/15/519958615.db2.gz PWLCCSKNCIMDRH-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@@H](C)CC)on1 ZINC000052547322 519988449 /nfs/dbraw/zinc/98/84/49/519988449.db2.gz YXJJFMVUJMURRA-LBPRGKRZSA-N 2 0 269.389 2.031 10 0 CEAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)[C@@H](C)COC)c1 ZINC000052511639 520006095 /nfs/dbraw/zinc/00/60/95/520006095.db2.gz LMQNEHMPYAKEKB-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP CC[NH2+]Cc1oc(CN2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061654753 520028773 /nfs/dbraw/zinc/02/87/73/520028773.db2.gz VHDIBTPHOBVRPN-CQSZACIVSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000069052136 520060551 /nfs/dbraw/zinc/06/05/51/520060551.db2.gz UXQCAGAJDVWILC-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061271126 520068390 /nfs/dbraw/zinc/06/83/90/520068390.db2.gz DBPNHJFIRRTTQN-LBPRGKRZSA-N 2 0 263.385 2.075 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643763 520091997 /nfs/dbraw/zinc/09/19/97/520091997.db2.gz CUUCVROYUXTJIQ-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC000054560652 520122015 /nfs/dbraw/zinc/12/20/15/520122015.db2.gz TWVMCQIOBJVZPR-QKPAOTATSA-N 2 0 270.461 2.349 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CC[C@H]([NH+](C)C)C1 ZINC000062970082 520219183 /nfs/dbraw/zinc/21/91/83/520219183.db2.gz ZYNFEQPANOAIQT-FZKCQIBNSA-N 2 0 267.461 2.037 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN1CC[NH+](C)CC1 ZINC000054559530 520219902 /nfs/dbraw/zinc/21/99/02/520219902.db2.gz FBIGLOXXRWCIEX-BBWFWOEESA-N 2 0 281.488 2.284 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCC(C[NH3+])CC1 ZINC000055146382 520632746 /nfs/dbraw/zinc/63/27/46/520632746.db2.gz IHHISWJYLYRFAB-FHERZECASA-N 2 0 297.487 2.378 10 0 CEAERP CC[NH+](CC)C[C@@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206272 520720949 /nfs/dbraw/zinc/72/09/49/520720949.db2.gz YOKBOLQQXFNSOU-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)C(C)(C)[NH2+]C)c1 ZINC000061316390 520757116 /nfs/dbraw/zinc/75/71/16/520757116.db2.gz ISNIOPOMWRDPAM-UHFFFAOYSA-N 2 0 277.412 2.465 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643450 520829444 /nfs/dbraw/zinc/82/94/44/520829444.db2.gz NRPMUHVPTBLTQJ-LVQVYYBASA-N 2 0 267.461 2.309 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401634 520847156 /nfs/dbraw/zinc/84/71/56/520847156.db2.gz LSVIJDBCNCTCJW-MRXNPFEDSA-N 2 0 279.403 2.201 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2cccc(C[NH2+]C)c2)C1 ZINC000062971996 520874462 /nfs/dbraw/zinc/87/44/62/520874462.db2.gz DKFLAZNJYKBWIH-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[C@@]1(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CCC[NH2+]C1 ZINC000062861499 520942393 /nfs/dbraw/zinc/94/23/93/520942393.db2.gz YUZIOSDNTVTDST-NVXWUHKLSA-N 2 0 295.471 2.004 10 0 CEAERP CCC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[NH+](C)C ZINC000164273863 520971331 /nfs/dbraw/zinc/97/13/31/520971331.db2.gz YGQGLQBLUZNINL-MRXNPFEDSA-N 2 0 295.471 2.051 10 0 CEAERP CC1CC[NH+](CC2(C[NH2+]C3CC3)CCOCC2)CC1 ZINC000052180633 520998853 /nfs/dbraw/zinc/99/88/53/520998853.db2.gz DLXPWCZIQQCBMW-UHFFFAOYSA-N 2 0 266.429 2.267 10 0 CEAERP CCC[C@H](CN1CC[NH+]([C@H](C)CC)CC1)[NH2+]CC ZINC000055065013 521100225 /nfs/dbraw/zinc/10/02/25/521100225.db2.gz KAEXALFUDBNREW-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](Cc1ccccc1)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761077 521371906 /nfs/dbraw/zinc/37/19/06/521371906.db2.gz XFMRHLWVEKXIDH-UHFFFAOYSA-N 2 0 268.364 2.388 10 0 CEAERP CC[N@H+](Cc1cccs1)CC1(C[NH3+])CCOCC1 ZINC000052183462 521408355 /nfs/dbraw/zinc/40/83/55/521408355.db2.gz VTXHGOQNAIAVLC-UHFFFAOYSA-N 2 0 268.426 2.326 10 0 CEAERP CCC[NH+](CCC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052416794 521648365 /nfs/dbraw/zinc/64/83/65/521648365.db2.gz GGLBSJDFWTZTLK-UHFFFAOYSA-N 2 0 281.448 2.146 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C)c(C[NH3+])o2)CC1 ZINC000052484030 521656216 /nfs/dbraw/zinc/65/62/16/521656216.db2.gz STXBBQMGQWJLJE-UHFFFAOYSA-N 2 0 252.358 2.048 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000052203737 521933182 /nfs/dbraw/zinc/93/31/82/521933182.db2.gz WKBIUWNNWGMSGJ-QGZVFWFLSA-N 2 0 273.424 2.029 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065222 522129610 /nfs/dbraw/zinc/12/96/10/522129610.db2.gz FJXZYARLLQWEOD-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065227 522131060 /nfs/dbraw/zinc/13/10/60/522131060.db2.gz FJXZYARLLQWEOD-PMPSAXMXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000055063696 522132397 /nfs/dbraw/zinc/13/23/97/522132397.db2.gz LAWCPMKBCUEACV-XPKDYRNWSA-N 2 0 279.428 2.392 10 0 CEAERP C[NH2+]Cc1coc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000052573518 522148559 /nfs/dbraw/zinc/14/85/59/522148559.db2.gz ADKKJNJSQLVQGD-UHFFFAOYSA-N 2 0 277.412 2.059 10 0 CEAERP C[NH2+][C@@H](C)CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062051450 522322492 /nfs/dbraw/zinc/32/24/92/522322492.db2.gz MRECQNSQYAXPBL-HNNXBMFYSA-N 3 0 267.461 2.182 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077048 522347217 /nfs/dbraw/zinc/34/72/17/522347217.db2.gz NCSIWUINCAFIKB-IRXDYDNUSA-N 2 0 290.455 2.134 10 0 CEAERP C[NH2+][C@@H]1CCc2c1cccc2OCC[NH+]1CCCC1 ZINC000062799044 522398311 /nfs/dbraw/zinc/39/83/11/522398311.db2.gz SROWEFZTUAFNRY-OAHLLOKOSA-N 2 0 260.381 2.368 10 0 CEAERP CC[C@@H](CC[NH3+])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000049254426 522496653 /nfs/dbraw/zinc/49/66/53/522496653.db2.gz LUVWQFDBLLRUGT-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052447628 523028376 /nfs/dbraw/zinc/02/83/76/523028376.db2.gz YRTZUAVNYNEIHT-HNNXBMFYSA-N 2 0 279.432 2.041 10 0 CEAERP CC[C@H]1CC[C@@H]([NH2+]C)[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000062979331 523188006 /nfs/dbraw/zinc/18/80/06/523188006.db2.gz SADSXNDPHCXROP-MWDXBVQZSA-N 2 0 279.472 2.323 10 0 CEAERP C[N@@H+](Cc1cccnc1C(N)=[NH2+])CC1CCCCC1 ZINC000061658197 523420348 /nfs/dbraw/zinc/42/03/48/523420348.db2.gz IFYGQLVOZOBLSR-UHFFFAOYSA-N 2 0 260.385 2.378 10 0 CEAERP C[N@@H+](Cc1ccncc1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052481022 523460661 /nfs/dbraw/zinc/46/06/61/523460661.db2.gz GUIBPBZTBGFEEC-JKSUJKDBSA-N 2 0 291.439 2.449 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@@H+]1C ZINC000068812061 523467282 /nfs/dbraw/zinc/46/72/82/523467282.db2.gz UGVDLAULGDDLHI-CABCVRRESA-N 2 0 287.407 2.459 10 0 CEAERP CC[C@]1(C(=O)NCCC[NH+]2CCC(C)CC2)CCC[NH2+]C1 ZINC000062859372 523535858 /nfs/dbraw/zinc/53/58/58/523535858.db2.gz KWBBUZSFRYLZLP-KRWDZBQOSA-N 2 0 295.471 2.004 10 0 CEAERP CC[C@]1(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CCC[NH2+]C1 ZINC000062858018 523539754 /nfs/dbraw/zinc/53/97/54/523539754.db2.gz JWROTNWEUNZUNI-RDJZCZTQSA-N 2 0 295.471 2.004 10 0 CEAERP COCC[N@H+](C)CCn1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380801 523617009 /nfs/dbraw/zinc/61/70/09/523617009.db2.gz LNASFFXWAGTSLT-HNNXBMFYSA-N 2 0 293.455 2.347 10 0 CEAERP C[N@H+]([C@@H](CC(N)=[NH2+])c1ccccc1)[C@@H]1CCSC1 ZINC000055022776 523622467 /nfs/dbraw/zinc/62/24/67/523622467.db2.gz RHYMNTSFRLTBDO-OLZOCXBDSA-N 2 0 263.410 2.491 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH3+])c(C)o1)[C@H](C)C1CC1 ZINC000052545354 523739802 /nfs/dbraw/zinc/73/98/02/523739802.db2.gz XIYIYGISLCFQKF-LLVKDONJSA-N 2 0 266.385 2.294 10 0 CEAERP CC[C@H](C)[N@H+](CC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052451265 523934213 /nfs/dbraw/zinc/93/42/13/523934213.db2.gz UJSFZKVYWHEFHD-ZDUSSCGKSA-N 2 0 281.448 2.287 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055072020 523952787 /nfs/dbraw/zinc/95/27/87/523952787.db2.gz KSZMDZXNWFQENE-HNNXBMFYSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C(C)C)CC1 ZINC000055074722 523955111 /nfs/dbraw/zinc/95/51/11/523955111.db2.gz LYRJHTHJKQVICC-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643092 524028458 /nfs/dbraw/zinc/02/84/58/524028458.db2.gz BMKVRTVGYBQLBU-IAGOWNOFSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH+](C)C1CCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052477647 524040200 /nfs/dbraw/zinc/04/02/00/524040200.db2.gz ZVJCMSFXFQPUBQ-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655240 524172329 /nfs/dbraw/zinc/17/23/29/524172329.db2.gz HLYKZQWPKJZXNO-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CN1[C@@H]2CCC[C@H]1CC([NH3+])C2)[NH+]1CCCCC1 ZINC000054602780 524364551 /nfs/dbraw/zinc/36/45/51/524364551.db2.gz SWKIIIRNMWADJC-WZYMTQMTSA-N 2 0 265.445 2.205 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655136 524490836 /nfs/dbraw/zinc/49/08/36/524490836.db2.gz VDYWRBMWVUOVPE-ZIAGYGMSSA-N 2 0 281.469 2.252 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062963926 525005436 /nfs/dbraw/zinc/00/54/36/525005436.db2.gz NFEBCWHVSICBHR-UGFHNGPFSA-N 2 0 281.831 2.364 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C2CCCC2)CC1 ZINC000052060384 525006465 /nfs/dbraw/zinc/00/64/65/525006465.db2.gz BMSSBTJIROJQJI-PBHICJAKSA-N 2 0 288.439 2.030 10 0 CEAERP C[C@@H]([NH3+])c1ccccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062980838 525030618 /nfs/dbraw/zinc/03/06/18/525030618.db2.gz XWEUJCSMXDDYEW-KGLIPLIRSA-N 2 0 259.397 2.381 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH3+])c2cc3ccccc3o2)CC[N@@H+]1C ZINC000068812047 525055175 /nfs/dbraw/zinc/05/51/75/525055175.db2.gz RORHBMBAIXLTLA-OCCSQVGLSA-N 2 0 273.380 2.069 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055078991 525367807 /nfs/dbraw/zinc/36/78/07/525367807.db2.gz JFQGTSPGYONFDX-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@]1(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000068628378 525649648 /nfs/dbraw/zinc/64/96/48/525649648.db2.gz WCYWLBQWWHPOJA-ZMSDIMECSA-N 2 0 281.488 2.414 10 0 CEAERP c1cc(CC[NH2+]CCN2CC[C@H]([NH+]3CCCC3)C2)cs1 ZINC000062974495 526420108 /nfs/dbraw/zinc/42/01/08/526420108.db2.gz MGPAEWYROIGYMV-INIZCTEOSA-N 2 0 293.480 2.050 10 0 CEAERP c1ccc(CN2CC[NH+](C3CC3)CC2)c(C[NH2+]C2CC2)c1 ZINC000052371421 526470191 /nfs/dbraw/zinc/47/01/91/526470191.db2.gz GXOYOWQTXPYQNU-UHFFFAOYSA-N 2 0 285.435 2.219 10 0 CEAERP c1csc(CC[N@@H+]2CC[C@H](C[NH2+]C3CC3)C2)c1 ZINC000053012781 526577101 /nfs/dbraw/zinc/57/71/01/526577101.db2.gz HWNLTRDORHKLFV-GFCCVEGCSA-N 2 0 250.411 2.365 10 0 CEAERP CC(C)[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000087535134 534991371 /nfs/dbraw/zinc/99/13/71/534991371.db2.gz FANQNHSRRZGDMA-OAHLLOKOSA-N 2 0 261.413 2.040 10 0 CEAERP CC(C)(CC[NH+]1CCN(c2ccccc2F)CC1)C(N)=[NH2+] ZINC000087593517 535028464 /nfs/dbraw/zinc/02/84/64/535028464.db2.gz UXCDFKSJXBFZCP-UHFFFAOYSA-N 2 0 292.402 2.300 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(CC[NH3+])cc2)CC1 ZINC000104280126 535566552 /nfs/dbraw/zinc/56/65/52/535566552.db2.gz ZFHZZXJUBRODNQ-CQSZACIVSA-N 2 0 261.413 2.108 10 0 CEAERP COc1cccc(N2CC[NH+]([C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000093221023 537125193 /nfs/dbraw/zinc/12/51/93/537125193.db2.gz FGIJYTKFOHOSAC-GJZGRUSLSA-N 2 0 289.423 2.087 10 0 CEAERP C1CC1[NH+]1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757138107 574510103 /nfs/dbraw/zinc/51/01/03/574510103.db2.gz ASHIXBZKTMVZQD-JSGCOSHPSA-N 2 0 250.386 2.120 10 0 CEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757147872 574510552 /nfs/dbraw/zinc/51/05/52/574510552.db2.gz MSMAYYZHYCDKDG-HNNXBMFYSA-N 2 0 252.402 2.369 10 0 CEAERP OC[C@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261766728 623450110 /nfs/dbraw/zinc/45/01/10/623450110.db2.gz MUELBUYCAXBBJT-WMZOPIPTSA-N 2 0 288.435 2.012 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000052097271 624773058 /nfs/dbraw/zinc/77/30/58/624773058.db2.gz VRABEGMAXHKVAL-QGZVFWFLSA-N 2 0 276.424 2.168 10 0 CEAERP OC[C@@]1(c2ccccc2)CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261765412 629186983 /nfs/dbraw/zinc/18/69/83/629186983.db2.gz MUELBUYCAXBBJT-FUHWJXTLSA-N 2 0 288.435 2.012 10 0 CEAERP Fc1cccnc1O[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1 ZINC000261955059 629389472 /nfs/dbraw/zinc/38/94/72/629389472.db2.gz OOIIWUSURSYMRW-ZIAGYGMSSA-N 2 0 293.386 2.064 10 0 CEAERP CC(C)(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000324439900 640577932 /nfs/dbraw/zinc/57/79/32/640577932.db2.gz VKRWXGPEXLJZIO-LSDHHAIUSA-N 2 0 268.445 2.248 10 0 CEAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000122454913 282085355 /nfs/dbraw/zinc/08/53/55/282085355.db2.gz QFGHRDQWBRVIGB-XHSDSOJGSA-N 2 0 268.445 2.344 10 0 CEAERP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042501 361890194 /nfs/dbraw/zinc/89/01/94/361890194.db2.gz PEYWGOMEIDOGFQ-RISCZKNCSA-N 2 0 263.385 2.060 10 0 CEAERP CC(C)[NH+]1CCC(NC(=O)CC2([NH3+])CCCCC2)CC1 ZINC000084167961 178812478 /nfs/dbraw/zinc/81/24/78/178812478.db2.gz MQWMFRPSPOERPT-UHFFFAOYSA-N 2 0 281.444 2.027 10 0 CEAERP C[NH2+][C@H](C)C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000084390604 178878786 /nfs/dbraw/zinc/87/87/86/178878786.db2.gz KNGWIACFOOUMHH-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1CC[C@](CN)([NH+]2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000084989645 178939675 /nfs/dbraw/zinc/93/96/75/178939675.db2.gz OLDHUJVGXKCPRU-VYDXJSESSA-N 2 0 281.488 2.414 10 0 CEAERP CCC1(CC)CC[NH+](CCC[C@@](C)(O)C[NH3+])CC1 ZINC000085303343 179011124 /nfs/dbraw/zinc/01/11/24/179011124.db2.gz GEBZIPCOQPOOJG-CQSZACIVSA-N 2 0 256.434 2.379 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])([NH+](C)C)C1 ZINC000085370612 179040639 /nfs/dbraw/zinc/04/06/39/179040639.db2.gz BRDWGMQEUYGRSE-PNBKFKSVSA-N 2 0 295.471 2.131 10 0 CEAERP CC(C)Cc1nc2c(n1[C@@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573008 179097883 /nfs/dbraw/zinc/09/78/83/179097883.db2.gz JDIUZGVKAHOBJJ-CQSZACIVSA-N 2 0 288.439 2.137 10 0 CEAERP CC(C)c1nc2c(n1CC(C)(C)C[NH+](C)C)CC[NH2+]C2 ZINC000085568347 179095058 /nfs/dbraw/zinc/09/50/58/179095058.db2.gz MLXIHDJWZBTZOU-UHFFFAOYSA-N 2 0 278.444 2.240 10 0 CEAERP CCOCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@@H]1C ZINC000085620768 179105657 /nfs/dbraw/zinc/10/56/57/179105657.db2.gz NJTGGCGECGTCQT-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP C[NH+](C)CCCC[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000085675980 179112458 /nfs/dbraw/zinc/11/24/58/179112458.db2.gz LYSSCFJAPYRXHN-RDBSUJKOSA-N 2 0 254.418 2.121 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675582 179112601 /nfs/dbraw/zinc/11/26/01/179112601.db2.gz DBHVDRFQCJDFFW-FQUUOJAGSA-N 2 0 254.418 2.120 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000085973016 179207488 /nfs/dbraw/zinc/20/74/88/179207488.db2.gz ABLANVDGBDXWMY-BPUTZDHNSA-N 2 0 268.445 2.248 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146524 179238493 /nfs/dbraw/zinc/23/84/93/179238493.db2.gz YLYXUBSZBDWAIV-HRCADAONSA-N 2 0 267.461 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086143112 179237661 /nfs/dbraw/zinc/23/76/61/179237661.db2.gz VWIWCSKGSHEYCK-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086171838 179243727 /nfs/dbraw/zinc/24/37/27/179243727.db2.gz ZWDJAZIYFMYXLL-BRWVUGGUSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](CC)C[NH2+]1 ZINC000086173848 179244793 /nfs/dbraw/zinc/24/47/93/179244793.db2.gz DOYYFNQAINNHNT-XJNFMUPTSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@H]1CN[C@H](C)C[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086174318 179245310 /nfs/dbraw/zinc/24/53/10/179245310.db2.gz DHLDPFQEXONBIR-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146747 179239885 /nfs/dbraw/zinc/23/98/85/179239885.db2.gz CBPHLNMJDFMPLA-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182575 179247973 /nfs/dbraw/zinc/24/79/73/179247973.db2.gz FMISZQHYWKHTHV-GOEBONIOSA-N 2 0 277.456 2.077 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1CCC[NH+](C)C ZINC000086217773 179249359 /nfs/dbraw/zinc/24/93/59/179249359.db2.gz VNVADRSTBNIORB-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086223187 179252218 /nfs/dbraw/zinc/25/22/18/179252218.db2.gz JULHOFGPJNXNKC-NJAFHUGGSA-N 2 0 287.451 2.363 10 0 CEAERP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223985 179253202 /nfs/dbraw/zinc/25/32/02/179253202.db2.gz MGPTTXKCUUSMIR-CGTJXYLNSA-N 2 0 287.451 2.290 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182587 179247668 /nfs/dbraw/zinc/24/76/68/179247668.db2.gz ODYSDKZAQFTGOT-FHLIZLRMSA-N 2 0 291.483 2.323 10 0 CEAERP CC[C@@]1(C)CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086259596 179258265 /nfs/dbraw/zinc/25/82/65/179258265.db2.gz PJDKVFQODQMQJL-IKGGRYGDSA-N 2 0 279.472 2.322 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259223 179258652 /nfs/dbraw/zinc/25/86/52/179258652.db2.gz OLRRCYQUADKSIX-PVAVHDDUSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259630 179259093 /nfs/dbraw/zinc/25/90/93/179259093.db2.gz GMIXWBXCYXNFQK-NUEKZKHPSA-N 2 0 265.445 2.076 10 0 CEAERP C[N@@H+]1CCC[C@H](N2CCC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086288944 179264840 /nfs/dbraw/zinc/26/48/40/179264840.db2.gz RLFUZLCVOSYRSE-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@]1(C2CC2)C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298006 179269124 /nfs/dbraw/zinc/26/91/24/179269124.db2.gz MMKDVQDNHRQOPD-INIZCTEOSA-N 2 0 266.429 2.410 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443962 179293426 /nfs/dbraw/zinc/29/34/26/179293426.db2.gz OQCKUHCLQXLMBQ-NWDGAFQWSA-N 2 0 294.468 2.400 10 0 CEAERP CC(C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086442768 179294239 /nfs/dbraw/zinc/29/42/39/179294239.db2.gz LRDIOSBQBZJVSM-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP C[N@H+](CCc1cccs1)Cc1ccc(NN)[nH+]c1 ZINC000086441623 179292743 /nfs/dbraw/zinc/29/27/43/179292743.db2.gz UNDVUSPSSBAGQZ-UHFFFAOYSA-N 2 0 262.382 2.103 10 0 CEAERP CCC1CCC(C[NH3+])(OC[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000086713154 179322710 /nfs/dbraw/zinc/32/27/10/179322710.db2.gz LTADIOCFDKBDIV-CGZBRXJRSA-N 2 0 298.471 2.410 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]CCOC2CCCCC2)CC1 ZINC000086819130 179348627 /nfs/dbraw/zinc/34/86/27/179348627.db2.gz YCTSAAIYXODFSR-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(CC)C(C)C)CC1 ZINC000086846714 179355746 /nfs/dbraw/zinc/35/57/46/179355746.db2.gz ZDAJXCDHIQRGCY-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848520 179356240 /nfs/dbraw/zinc/35/62/40/179356240.db2.gz YQPMFVZFCNJDRA-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC(C)(C)CC2)CC1 ZINC000086848518 179357205 /nfs/dbraw/zinc/35/72/05/179357205.db2.gz YQPMFVZFCNJDRA-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846977 179357328 /nfs/dbraw/zinc/35/73/28/179357328.db2.gz LTBWWFDQXSXAGO-MRXNPFEDSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835414 179350350 /nfs/dbraw/zinc/35/03/50/179350350.db2.gz NWWBTAGKULXZGZ-INIZCTEOSA-N 2 0 261.413 2.478 10 0 CEAERP CC[N@@H+]1CCC[C@H](Nc2c[nH+]ccc2N(C)C)CC1 ZINC000086837875 179351640 /nfs/dbraw/zinc/35/16/40/179351640.db2.gz MMPPJQPMWHLBTL-ZDUSSCGKSA-N 2 0 262.401 2.434 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCCOCC2CC2)CC1 ZINC000086836824 179351855 /nfs/dbraw/zinc/35/18/55/179351855.db2.gz WBPZRQSYIYFZHP-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086842247 179352525 /nfs/dbraw/zinc/35/25/25/179352525.db2.gz TXRACDIZYWZIEL-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842230 179353772 /nfs/dbraw/zinc/35/37/72/179353772.db2.gz HCWRGCGGSKTHSB-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CCOC(=O)CCC[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086845737 179354296 /nfs/dbraw/zinc/35/42/96/179354296.db2.gz XKQFUECFAQIYBN-AWEZNQCLSA-N 2 0 270.417 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2nccs2)CC1 ZINC000086844781 179354449 /nfs/dbraw/zinc/35/44/49/179354449.db2.gz QICJLMQPMRYTPF-GFCCVEGCSA-N 2 0 253.415 2.150 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846331 179355246 /nfs/dbraw/zinc/35/52/46/179355246.db2.gz HSHCUAPNERQYIZ-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[NH+]1CCN([C@@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890468 179366223 /nfs/dbraw/zinc/36/62/23/179366223.db2.gz MPGGXKYQANDNQC-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000086913413 179366841 /nfs/dbraw/zinc/36/68/41/179366841.db2.gz WUBWHLMJNBIEHF-OWCLPIDISA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@H]1CCC[C@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950251 179368966 /nfs/dbraw/zinc/36/89/66/179368966.db2.gz BFLKKPKPJOWUPT-HOTGVXAUSA-N 2 0 295.471 2.099 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC2(O)CCCCC2)CC1 ZINC000087017644 179380456 /nfs/dbraw/zinc/38/04/56/179380456.db2.gz ZAIKREFNPQEXBA-AWEZNQCLSA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC2(O)CCCC2)CC1 ZINC000087016390 179380777 /nfs/dbraw/zinc/38/07/77/179380777.db2.gz XRFGAXAYHSCVCY-ZDUSSCGKSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H]1CCC[C@](O)(C[NH2+][C@@H]2CCC[N@H+](C)CC2)C1 ZINC000087052785 179388899 /nfs/dbraw/zinc/38/88/99/179388899.db2.gz WWZPCJDNCOMWSK-RBSFLKMASA-N 2 0 254.418 2.002 10 0 CEAERP CC1CCC(O)(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000087062320 179389417 /nfs/dbraw/zinc/38/94/17/179389417.db2.gz AMSZPRROHVFGQT-UHFFFAOYSA-N 2 0 254.418 2.003 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000087088928 179393449 /nfs/dbraw/zinc/39/34/49/179393449.db2.gz XXWPKYGJJNNMPL-CABCVRRESA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH3+])CCC[C@H](C)C(=O)NCC[NH+]1CCCCCC1 ZINC000087698844 179472641 /nfs/dbraw/zinc/47/26/41/179472641.db2.gz QKTWDTBCIFIHNG-GJZGRUSLSA-N 2 0 283.460 2.132 10 0 CEAERP CN(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccs1 ZINC000128911485 187398285 /nfs/dbraw/zinc/39/82/85/187398285.db2.gz ZKUOPKUHZOVJHC-STQMWFEESA-N 2 0 267.442 2.083 10 0 CEAERP COCC1CC[NH+](CCCC(C)(C)C(N)=[NH2+])CC1 ZINC000087610475 179454425 /nfs/dbraw/zinc/45/44/25/179454425.db2.gz GITXQSYJGGEVJN-UHFFFAOYSA-N 2 0 255.406 2.087 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000087621143 179456251 /nfs/dbraw/zinc/45/62/51/179456251.db2.gz PZIYMDWLDVDVKK-KRWDZBQOSA-N 2 0 287.451 2.147 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH+]1CCC(C(F)(F)F)CC1 ZINC000088417851 179597029 /nfs/dbraw/zinc/59/70/29/179597029.db2.gz FOTXPAQZPKNSIJ-ONGXEEELSA-N 2 0 250.308 2.388 10 0 CEAERP C[C@H](CCc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089149667 179725443 /nfs/dbraw/zinc/72/54/43/179725443.db2.gz HQCTYFBRBQRABR-XPKDYRNWSA-N 2 0 262.397 2.430 10 0 CEAERP C[NH2+]C[C@]1(CN(C)CC[NH+]2CCCC2)CCC[C@@H](C)C1 ZINC000089624191 179831887 /nfs/dbraw/zinc/83/18/87/179831887.db2.gz MLEOYTZYMKGZIQ-SJORKVTESA-N 2 0 281.488 2.430 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000234740165 539735016 /nfs/dbraw/zinc/73/50/16/539735016.db2.gz VAVKMPIYUWDHBZ-CMPLNLGQSA-N 2 0 272.339 2.369 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000090566252 180006070 /nfs/dbraw/zinc/00/60/70/180006070.db2.gz HQDCHPXOOOMKEK-DZGCQCFKSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566571 180006410 /nfs/dbraw/zinc/00/64/10/180006410.db2.gz OHLXFIMDKJQNKN-HOCLYGCPSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCCCC[C@@H]1C ZINC000090567058 180006658 /nfs/dbraw/zinc/00/66/58/180006658.db2.gz OJZVDNZRZJSVCK-RRFJBIMHSA-N 2 0 254.418 2.266 10 0 CEAERP c1ccc2c(c1)C[C@@H](C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)O2 ZINC000090876245 180051122 /nfs/dbraw/zinc/05/11/22/180051122.db2.gz YGMYKWXHIFLLKS-DLBZAZTESA-N 2 0 286.419 2.454 10 0 CEAERP C[C@@H]([NH3+])c1nc(CN2CC[NH+](C(C)(C)C)CC2)cs1 ZINC000090958171 180074453 /nfs/dbraw/zinc/07/44/53/180074453.db2.gz GJGIUZBMXUFWMP-LLVKDONJSA-N 2 0 282.457 2.079 10 0 CEAERP c1ccc2c(c1)C[C@@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000090976394 180079062 /nfs/dbraw/zinc/07/90/62/180079062.db2.gz SIIOSUBEOMLPPH-DZGCQCFKSA-N 2 0 256.393 2.400 10 0 CEAERP COCC[NH2+]CC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977575 180079130 /nfs/dbraw/zinc/07/91/30/180079130.db2.gz IVLYQLUJGIBYMN-KRWDZBQOSA-N 2 0 288.435 2.274 10 0 CEAERP CCn1cccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000091025773 180089647 /nfs/dbraw/zinc/08/96/47/180089647.db2.gz SOOMTFOGMZGVES-GOOCMWNKSA-N 2 0 261.413 2.470 10 0 CEAERP C[C@@H](C[NH2+]C1CCCCC1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427968 180152846 /nfs/dbraw/zinc/15/28/46/180152846.db2.gz MFQOVXNKYIJVBX-HOCLYGCPSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1CC ZINC000091429766 180152915 /nfs/dbraw/zinc/15/29/15/180152915.db2.gz ULCUOCSULJODTM-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091433216 180153834 /nfs/dbraw/zinc/15/38/34/180153834.db2.gz OLFKAXSTPQXVNW-JKSUJKDBSA-N 2 0 269.477 2.283 10 0 CEAERP C[NH+](C)[C@H]1CCCN(Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000091450344 180157821 /nfs/dbraw/zinc/15/78/21/180157821.db2.gz GSISYKIDGURFEP-AWEZNQCLSA-N 2 0 294.443 2.089 10 0 CEAERP CC(C)C[NH2+]CC[C@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091502884 180175391 /nfs/dbraw/zinc/17/53/91/180175391.db2.gz FRZQLRHBESJHID-IRXDYDNUSA-N 2 0 276.424 2.260 10 0 CEAERP CN(C)[C@H]1CCC[N@H+](CCCC(C)(C)CC[NH3+])C1 ZINC000091392427 180144824 /nfs/dbraw/zinc/14/48/24/180144824.db2.gz MJJUYLFQOCYOEV-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000091393042 180145474 /nfs/dbraw/zinc/14/54/74/180145474.db2.gz GDJOHWBNDGUNGK-DOMZBBRYSA-N 2 0 281.831 2.366 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091394707 180145975 /nfs/dbraw/zinc/14/59/75/180145975.db2.gz ZOHKMOUUSGKBSN-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091394399 180146559 /nfs/dbraw/zinc/14/65/59/180146559.db2.gz BLUYVAZQHVDSHV-IPYPFGDCSA-N 2 0 281.469 2.471 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](CCO)C1CCCC1 ZINC000091403822 180147316 /nfs/dbraw/zinc/14/73/16/180147316.db2.gz DDJZMZNKFZLGJR-CYBMUJFWSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000091405128 180147410 /nfs/dbraw/zinc/14/74/10/180147410.db2.gz MXSVLKOZIMILKM-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404834 180147462 /nfs/dbraw/zinc/14/74/62/180147462.db2.gz FHGXBEYGCRJTQI-CQSZACIVSA-N 3 0 267.461 2.168 10 0 CEAERP CCC(CC)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCC1 ZINC000091634273 180210328 /nfs/dbraw/zinc/21/03/28/180210328.db2.gz MZJYMTPZTGHELS-UHFFFAOYSA-N 2 0 275.396 2.430 10 0 CEAERP C[NH+](C)C1([C@@H](O)Cc2c[nH+]ccc2N)CCCCCC1 ZINC000091653851 180217438 /nfs/dbraw/zinc/21/74/38/180217438.db2.gz YGSMZMLPCHFSJL-HNNXBMFYSA-N 2 0 277.412 2.222 10 0 CEAERP [NH3+][C@@H]1CCCc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722450 180240375 /nfs/dbraw/zinc/24/03/75/180240375.db2.gz WLGYZKBEYYDTNR-FOGDFJRCSA-N 2 0 279.409 2.015 10 0 CEAERP COC(=O)[C@H](C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000091847822 180271470 /nfs/dbraw/zinc/27/14/70/180271470.db2.gz ODFXXZZRKAQCFZ-UYSNPLJNSA-N 2 0 290.407 2.145 10 0 CEAERP CC[N@H+](Cc1nc(C(C)(C)C)no1)C1CCC([NH3+])CC1 ZINC000091850651 180271865 /nfs/dbraw/zinc/27/18/65/180271865.db2.gz MCULLNNMEVEVIW-UHFFFAOYSA-N 2 0 280.416 2.459 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870352 180276835 /nfs/dbraw/zinc/27/68/35/180276835.db2.gz VXXWGPZYEOCUIJ-NFOMZHRRSA-N 2 0 283.460 2.096 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@H]2CCOC2)CC1 ZINC000091870009 180277418 /nfs/dbraw/zinc/27/74/18/180277418.db2.gz HVIXQLOOVUJEAS-WLYUNCDWSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+]1CCC(O)([C@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000091906292 180283962 /nfs/dbraw/zinc/28/39/62/180283962.db2.gz LMTKEMLONXWLGY-KRWDZBQOSA-N 2 0 288.435 2.066 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@@]2(C[NH3+])CCc3ccccc32)CC1 ZINC000091906393 180284191 /nfs/dbraw/zinc/28/41/91/180284191.db2.gz CKXBZFKYEROBJP-QGZVFWFLSA-N 2 0 288.435 2.065 10 0 CEAERP CC[NH2+][C@@H](c1ccn(C[C@@H]2C[N@H+](C)CCO2)c1)C(C)C ZINC000092060383 180315107 /nfs/dbraw/zinc/31/51/07/180315107.db2.gz KBQZFPITZPFQBV-JKSUJKDBSA-N 2 0 279.428 2.125 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091996216 180301717 /nfs/dbraw/zinc/30/17/17/180301717.db2.gz MQCUDIQTVGMYLJ-OCCSQVGLSA-N 2 0 263.385 2.045 10 0 CEAERP CC(C)[NH2+]Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000092003349 180304995 /nfs/dbraw/zinc/30/49/95/180304995.db2.gz POXIHCDYBSHJDG-WBVHZDCISA-N 2 0 288.439 2.253 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000092202729 180343279 /nfs/dbraw/zinc/34/32/79/180343279.db2.gz HNZZGRDBCWOASD-GJZGRUSLSA-N 2 0 285.391 2.124 10 0 CEAERP C[C@@H](C[N@H+](C)C[C@@H]1Cc2ccccc2S1)C(N)=[NH2+] ZINC000092262294 180354175 /nfs/dbraw/zinc/35/41/75/180354175.db2.gz URCLPVDCMKINGJ-JQWIXIFHSA-N 2 0 263.410 2.207 10 0 CEAERP C[C@H](C[N@H+](C)CCSc1ccccc1)C(N)=[NH2+] ZINC000092262303 180354709 /nfs/dbraw/zinc/35/47/09/180354709.db2.gz NKRSDYKGQQSYBS-LLVKDONJSA-N 2 0 251.399 2.283 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300544 180358636 /nfs/dbraw/zinc/35/86/36/180358636.db2.gz UMEQQQYGCFNRTD-HUUCEWRRSA-N 2 0 274.408 2.483 10 0 CEAERP CC[N@H+](CCC(N)=[NH2+])Cc1ccnc2ccccc12 ZINC000092348137 180367277 /nfs/dbraw/zinc/36/72/77/180367277.db2.gz ZWUXZITVYCLKFC-UHFFFAOYSA-N 2 0 256.353 2.383 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(NCC)cc[nH+]1 ZINC000092418648 180380871 /nfs/dbraw/zinc/38/08/71/180380871.db2.gz DZEYUJMXGNIGGQ-UHFFFAOYSA-N 2 0 264.417 2.287 10 0 CEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(Cc2cccc(C)n2)CC1 ZINC000092427846 180383734 /nfs/dbraw/zinc/38/37/34/180383734.db2.gz USBGUUFIGALCNS-QGZVFWFLSA-N 2 0 290.455 2.025 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@H+](C)[C@@H](CC)C1 ZINC000107915919 186197587 /nfs/dbraw/zinc/19/75/87/186197587.db2.gz KRPJLOUPYLUIMS-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2sccc2C)C[C@@H]1C ZINC000107919726 186197915 /nfs/dbraw/zinc/19/79/15/186197915.db2.gz ZHQNAACVJBGSED-STQMWFEESA-N 2 0 267.442 2.082 10 0 CEAERP C[NH2+]Cc1cc(N2CC[C@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000109589603 186264678 /nfs/dbraw/zinc/26/46/78/186264678.db2.gz JTLYJCVHHHYCDQ-AWEZNQCLSA-N 2 0 284.407 2.095 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000109603641 186266932 /nfs/dbraw/zinc/26/69/32/186266932.db2.gz SJPGBTGEOKZXQE-LSDHHAIUSA-N 2 0 282.428 2.169 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[C@H]([NH+](C)C)C2)nc1C ZINC000110275304 186289311 /nfs/dbraw/zinc/28/93/11/186289311.db2.gz ZEQNSLOAIOYYQN-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C[C@@H]1C ZINC000110921072 186332387 /nfs/dbraw/zinc/33/23/87/186332387.db2.gz QZCRYWKBHALFQM-WFASDCNBSA-N 2 0 281.831 2.366 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](C(C)C)CC2)cc1F ZINC000110977153 186338899 /nfs/dbraw/zinc/33/88/99/186338899.db2.gz OPOHRESGRJMUSS-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)s2)CC[N@@H+]1C ZINC000110703963 186314554 /nfs/dbraw/zinc/31/45/54/186314554.db2.gz VLSCPXDKIHWWQH-STQMWFEESA-N 2 0 267.442 2.082 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704647 186314849 /nfs/dbraw/zinc/31/48/49/186314849.db2.gz GQMPDXLOUSKUNO-ZBFHGGJFSA-N 2 0 275.440 2.409 10 0 CEAERP CCC[NH2+][C@H](CN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110717255 186315650 /nfs/dbraw/zinc/31/56/50/186315650.db2.gz ZNXRQLJZAKBGTE-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]CC1(CN2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000110745066 186319238 /nfs/dbraw/zinc/31/92/38/186319238.db2.gz XOMHJOVBTDLHGC-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@@H]1CN(CC[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC000110757481 186320097 /nfs/dbraw/zinc/32/00/97/186320097.db2.gz QRHYMDIBKAURDH-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@H](C[NH2+]Cc1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757905 186320474 /nfs/dbraw/zinc/32/04/74/186320474.db2.gz AWFWNRRUGIPSHS-CYBMUJFWSA-N 2 0 281.469 2.252 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754713 186321169 /nfs/dbraw/zinc/32/11/69/186321169.db2.gz KBOMYKPBSHUQMK-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CCOCC[N@H+](CC)Cc1ccc(C[NH3+])cc1F ZINC000111117185 186355697 /nfs/dbraw/zinc/35/56/97/186355697.db2.gz QXBIQZFLWNRPNS-UHFFFAOYSA-N 2 0 254.349 2.143 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CC[NH+](C)C ZINC000111129993 186356200 /nfs/dbraw/zinc/35/62/00/186356200.db2.gz XKOQBFSEBYUZBG-LSDHHAIUSA-N 2 0 267.392 2.098 10 0 CEAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])N(C)CCC[NH+](C)C ZINC000111133858 186356362 /nfs/dbraw/zinc/35/63/62/186356362.db2.gz GGVMGNGDTXBJNP-CABCVRRESA-N 2 0 257.466 2.414 10 0 CEAERP CCC1CCC(C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000111133706 186356440 /nfs/dbraw/zinc/35/64/40/186356440.db2.gz GLUFSGCKBWTNEC-UHFFFAOYSA-N 2 0 255.450 2.168 10 0 CEAERP CCCOc1cccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000111133817 186356454 /nfs/dbraw/zinc/35/64/54/186356454.db2.gz NLPXRPITDNCXRX-KRWDZBQOSA-N 2 0 293.455 2.359 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111131674 186356572 /nfs/dbraw/zinc/35/65/72/186356572.db2.gz GLYRVUGTWMHKEI-OCCSQVGLSA-N 2 0 269.458 2.328 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1Cl ZINC000111131734 186356744 /nfs/dbraw/zinc/35/67/44/186356744.db2.gz RSNQHQDMIVGNBK-AWEZNQCLSA-N 2 0 269.820 2.223 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1F ZINC000111133552 186356752 /nfs/dbraw/zinc/35/67/52/186356752.db2.gz UHJDZWQLJYIGFC-HNNXBMFYSA-N 2 0 267.392 2.017 10 0 CEAERP CCc1ccc([C@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134419 186357151 /nfs/dbraw/zinc/35/71/51/186357151.db2.gz HOOLSWMGSOGEBB-INIZCTEOSA-N 2 0 263.429 2.003 10 0 CEAERP C[NH2+][C@H]1CC[C@H](c2ccccc2)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135439 186357752 /nfs/dbraw/zinc/35/77/52/186357752.db2.gz ALZPSPKRKPNMGJ-BZSNNMDCSA-N 2 0 289.467 2.404 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135159 186357851 /nfs/dbraw/zinc/35/78/51/186357851.db2.gz RHFLEELXYFENHQ-JYJNAYRXSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)C(C)(C)CN(C)CC[NH+](C)C ZINC000111147085 186358997 /nfs/dbraw/zinc/35/89/97/186358997.db2.gz FQMODGDWHIJMES-INIZCTEOSA-N 2 0 277.456 2.467 10 0 CEAERP CCC[C@@]1(C[N@H+](C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179358 186366454 /nfs/dbraw/zinc/36/64/54/186366454.db2.gz GRXVVTIGABYPRB-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578303816 366473120 /nfs/dbraw/zinc/47/31/20/366473120.db2.gz ULPRXLMFFZZMMN-OCCSQVGLSA-N 2 0 250.361 2.346 10 0 CEAERP Cc1ccc([C@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338025 366640128 /nfs/dbraw/zinc/64/01/28/366640128.db2.gz SFYGSMQDYYJRFN-RDJZCZTQSA-N 2 0 276.424 2.492 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2ccc(Br)nc2)CC1 ZINC000095072136 364332441 /nfs/dbraw/zinc/33/24/41/364332441.db2.gz SEITXGBMUXFZHT-UHFFFAOYSA-N 2 0 284.201 2.204 10 0 CEAERP Cc1cc(C)cc(OCC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631843664 367586505 /nfs/dbraw/zinc/58/65/05/367586505.db2.gz RIOZBCJQKNCGAH-GJZGRUSLSA-N 2 0 262.397 2.209 10 0 CEAERP C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631842623 367583349 /nfs/dbraw/zinc/58/33/49/367583349.db2.gz CTTDDKRSKVHHFW-STQMWFEESA-N 2 0 266.360 2.121 10 0 CEAERP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000631841913 367584395 /nfs/dbraw/zinc/58/43/95/367584395.db2.gz RQKKXOAHVCSUQG-NEPJUHHUSA-N 2 0 295.814 2.195 10 0 CEAERP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000631843192 367586251 /nfs/dbraw/zinc/58/62/51/367586251.db2.gz KDZOZLPHZKITGN-NWDGAFQWSA-N 2 0 268.788 2.245 10 0 CEAERP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](CC)CC)C12CCOCC2 ZINC000186193675 368934719 /nfs/dbraw/zinc/93/47/19/368934719.db2.gz MGJYMRWKBPCMKH-CVEARBPZSA-N 2 0 298.471 2.282 10 0 CEAERP CCOCC[N@@H+]1CCN(c2cc[nH+]cc2C)C[C@@H]1CC ZINC000191980683 369760185 /nfs/dbraw/zinc/76/01/85/369760185.db2.gz NQYBMFGINWCXFO-HNNXBMFYSA-N 2 0 277.412 2.327 10 0 CEAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)[C@H]1CC[NH2+]C1 ZINC000400529857 296150917 /nfs/dbraw/zinc/15/09/17/296150917.db2.gz RHUVTOCESSPPDG-SCRDCRAPSA-N 2 0 276.380 2.106 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000236661919 189837170 /nfs/dbraw/zinc/83/71/70/189837170.db2.gz ZUDGHJHLAHQIOO-MRXNPFEDSA-N 2 0 295.471 2.003 10 0 CEAERP CC[N@@H+]1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](CC)CC2 ZINC000257189065 371606303 /nfs/dbraw/zinc/60/63/03/371606303.db2.gz HJMPJRAHMXWREX-CYBMUJFWSA-N 2 0 278.400 2.247 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSc3ccccc3)C[C@@H]12 ZINC000261558241 371645628 /nfs/dbraw/zinc/64/56/28/371645628.db2.gz DBNBYFAWUNPPNB-NWANDNLSSA-N 2 0 262.422 2.448 10 0 CEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261579379 371659884 /nfs/dbraw/zinc/65/98/84/371659884.db2.gz DTURRIKELYQHGP-DLKVLKDVSA-N 2 0 260.381 2.425 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789390 371732807 /nfs/dbraw/zinc/73/28/07/371732807.db2.gz QHXPBIVYRXKXIJ-BZUAXINKSA-N 2 0 267.376 2.404 10 0 CEAERP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC[NH2+]C1 ZINC000261793863 371733598 /nfs/dbraw/zinc/73/35/98/371733598.db2.gz OSEUCLYXSCCCQX-HNSVSWJLSA-N 2 0 288.439 2.130 10 0 CEAERP C[C@@H]1CN(CCSCc2ccccc2)C[C@@H]1[NH3+] ZINC000262048324 371810543 /nfs/dbraw/zinc/81/05/43/371810543.db2.gz PYIHBLSMVZNJDS-OCCSQVGLSA-N 2 0 250.411 2.199 10 0 CEAERP CCn1cc(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262049636 371813972 /nfs/dbraw/zinc/81/39/72/371813972.db2.gz QBXOELCJQMKWOM-INIZCTEOSA-N 2 0 276.428 2.082 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000263234357 371932932 /nfs/dbraw/zinc/93/29/32/371932932.db2.gz NUQSZGDMVBWXHY-XWTMOSNGSA-N 2 0 288.435 2.273 10 0 CEAERP CC[N@H+](CCO)CCNc1cc[nH+]c2cc(F)ccc12 ZINC000302231357 379339655 /nfs/dbraw/zinc/33/96/55/379339655.db2.gz XMJVSTHAHLMWMK-UHFFFAOYSA-N 2 0 277.343 2.100 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000085240368 184608158 /nfs/dbraw/zinc/60/81/58/184608158.db2.gz GGLLLTYLJGHYEE-LSDHHAIUSA-N 2 0 258.450 2.494 10 0 CEAERP CC[NH+](CC)C[C@H](C)N[C@H](C)C[C@@H]1CCCC[NH2+]1 ZINC000093486743 184682963 /nfs/dbraw/zinc/68/29/63/184682963.db2.gz RGSAYOAPXMTTTK-ILXRZTDVSA-N 2 0 255.450 2.227 10 0 CEAERP C[N@H+](CC1CCOCC1)CC1CCC(C[NH3+])CC1 ZINC000093426439 184674408 /nfs/dbraw/zinc/67/44/08/184674408.db2.gz FALUBOLRAOQIDZ-UHFFFAOYSA-N 2 0 254.418 2.110 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@@]2([NH3+])CCC[C@H](C)C2)CC1 ZINC000080924663 177730053 /nfs/dbraw/zinc/73/00/53/177730053.db2.gz YMYDNUNKUQSUJC-WMLDXEAASA-N 2 0 295.471 2.227 10 0 CEAERP COC1CC[NH+](CC[C@H]2CCC[C@@]2(CO)[NH2+]C(C)C)CC1 ZINC000093616832 184696078 /nfs/dbraw/zinc/69/60/78/184696078.db2.gz LSUAQDIHBAFLBO-WBVHZDCISA-N 2 0 298.471 2.017 10 0 CEAERP CC[NH2+][C@H]1[C@H](CN2CC[NH+](C3CC3)CC2)CCC1(C)C ZINC000094318096 184779921 /nfs/dbraw/zinc/77/99/21/184779921.db2.gz LQXWGTUUYPAXDH-HOCLYGCPSA-N 2 0 279.472 2.181 10 0 CEAERP C[C@@]1(C[NH2+]CC2(c3ccccc3)CC[NH2+]CC2)CCCO1 ZINC000094804427 184869145 /nfs/dbraw/zinc/86/91/45/184869145.db2.gz GICYXNQJJPXBCO-KRWDZBQOSA-N 2 0 288.435 2.467 10 0 CEAERP CCC[NH2+][C@H](C)c1ccnc(N2CC[C@H]([NH+](C)C)C2)c1 ZINC000094999706 184911857 /nfs/dbraw/zinc/91/18/57/184911857.db2.gz ZAQPAIIGCZNGQF-HIFRSBDPSA-N 2 0 276.428 2.283 10 0 CEAERP OCC[C@@H]([NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095078805 184936575 /nfs/dbraw/zinc/93/65/75/184936575.db2.gz WDEIUNYEONFYOZ-GOSISDBHSA-N 2 0 288.435 2.402 10 0 CEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261612420 285526296 /nfs/dbraw/zinc/52/62/96/285526296.db2.gz SPQMTWKCVZTQGD-OCCSQVGLSA-N 2 0 253.349 2.423 10 0 CEAERP COc1ccccc1N1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000087535284 135050684 /nfs/dbraw/zinc/05/06/84/135050684.db2.gz VFKURHZLRJDMMW-OAHLLOKOSA-N 2 0 291.439 2.048 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000089482840 135059344 /nfs/dbraw/zinc/05/93/44/135059344.db2.gz KPUAGKGHWWZXQR-GJZGRUSLSA-N 2 0 291.414 2.323 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cc(Cl)ccc2C(N)=[NH2+])C1 ZINC000091394504 135068831 /nfs/dbraw/zinc/06/88/31/135068831.db2.gz BMZFOUMUQRERHL-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2ccc(C(N)=[NH2+])cc2Cl)C1 ZINC000091395000 135069121 /nfs/dbraw/zinc/06/91/21/135069121.db2.gz FWEIVIJMEIGYKD-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000091432926 135070015 /nfs/dbraw/zinc/07/00/15/135070015.db2.gz MIXSKLMSSICDQH-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP [NH3+]Cc1c(F)cccc1N1CC[NH+](C2CCCC2)CC1 ZINC000093395425 135080364 /nfs/dbraw/zinc/08/03/64/135080364.db2.gz SYJDMLYVYMCPRE-UHFFFAOYSA-N 2 0 277.387 2.349 10 0 CEAERP [NH3+]Cc1c(Cl)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094438319 135087852 /nfs/dbraw/zinc/08/78/52/135087852.db2.gz KTRCAOQNBGDNKE-GFCCVEGCSA-N 2 0 279.815 2.473 10 0 CEAERP O[C@H](C[NH2+][C@H](C1CC1)C1CCC1)C[NH+]1CCCCC1 ZINC000324941588 394550928 /nfs/dbraw/zinc/55/09/28/394550928.db2.gz XRHYCXJRBHDLJC-CVEARBPZSA-N 2 0 266.429 2.002 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337240260 394887257 /nfs/dbraw/zinc/88/72/57/394887257.db2.gz AUWFJXIHZLRMNM-TWMKSMIVSA-N 2 0 280.456 2.486 10 0 CEAERP Fc1cc(Br)ccc1CNC[C@H]1CC[NH2+]C1 ZINC000398350123 395233705 /nfs/dbraw/zinc/23/37/05/395233705.db2.gz JCCQUAREGZJLPW-VIFPVBQESA-N 2 0 287.176 2.287 10 0 CEAERP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000384436399 395193745 /nfs/dbraw/zinc/19/37/45/395193745.db2.gz XGQGTLRLNDYNKD-SWLSCSKDSA-N 2 0 275.396 2.075 10 0 CEAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397497664 395223190 /nfs/dbraw/zinc/22/31/90/395223190.db2.gz CRTDCABMGGPSTC-OWCLPIDISA-N 2 0 282.472 2.494 10 0 CEAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575438762 400609680 /nfs/dbraw/zinc/60/96/80/400609680.db2.gz ACQSDZQSDHWVPZ-SECBINFHSA-N 2 0 263.566 2.451 10 0 CEAERP COC[C@@]1(CNc2cc[nH+]c3ccccc23)CCC[NH2+]1 ZINC000261684060 153807903 /nfs/dbraw/zinc/80/79/03/153807903.db2.gz HEZZSJKTELZJCA-INIZCTEOSA-N 2 0 271.364 2.415 10 0 CEAERP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000263159819 154029316 /nfs/dbraw/zinc/02/93/16/154029316.db2.gz DSQBHXJIMJNLDS-ZBFHGGJFSA-N 2 0 288.416 2.085 10 0 CEAERP C[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000176705611 165170041 /nfs/dbraw/zinc/17/00/41/165170041.db2.gz ROYKKHVCNXLANI-KSSFIOAISA-N 2 0 297.402 2.392 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1 ZINC000020179484 171044270 /nfs/dbraw/zinc/04/42/70/171044270.db2.gz CJFBICMIRMUSJK-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP CCCCCC[C@](C)(C[NH3+])N1CC[NH+](CC)CC1 ZINC000020362578 171161707 /nfs/dbraw/zinc/16/17/07/171161707.db2.gz MDASLSVAUNPRCV-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156492 171362990 /nfs/dbraw/zinc/36/29/90/171362990.db2.gz MAKXYQYZOXQWPZ-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000037166609 173000923 /nfs/dbraw/zinc/00/09/23/173000923.db2.gz NHAVWXSVWFWNMZ-GOEBONIOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)COCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037221363 173040366 /nfs/dbraw/zinc/04/03/66/173040366.db2.gz IXFAWWLAIWCWDW-LSDHHAIUSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@H](C(C)C)N(C)C)CC1 ZINC000037221296 173040587 /nfs/dbraw/zinc/04/05/87/173040587.db2.gz GBANVVFNLYCVKY-GOEBONIOSA-N 2 0 269.477 2.283 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2CCCOC2)C1 ZINC000038044620 174052527 /nfs/dbraw/zinc/05/25/27/174052527.db2.gz DXKDXXZADJWQDJ-ILXRZTDVSA-N 2 0 254.418 2.123 10 0 CEAERP COc1ccc(CC[C@H](C)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038087085 174098991 /nfs/dbraw/zinc/09/89/91/174098991.db2.gz YDIUDHPTOSBRDV-AWEZNQCLSA-N 2 0 262.397 2.312 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096070 174110173 /nfs/dbraw/zinc/11/01/73/174110173.db2.gz XFNQGPZMZMOJHR-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)o1 ZINC000040749297 174393640 /nfs/dbraw/zinc/39/36/40/174393640.db2.gz JOXOEPCZTTVWGO-PBINXNQUSA-N 2 0 285.185 2.496 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1 ZINC000042744634 174864115 /nfs/dbraw/zinc/86/41/15/174864115.db2.gz NBGKWPJNVDRMMT-INIZCTEOSA-N 2 0 263.429 2.206 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CC[NH+](C)C)CC(C)C ZINC000043354819 175022041 /nfs/dbraw/zinc/02/20/41/175022041.db2.gz NPDOSACJLVIANA-DLBZAZTESA-N 2 0 292.471 2.380 10 0 CEAERP CCC[NH+]1CCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043363772 175024062 /nfs/dbraw/zinc/02/40/62/175024062.db2.gz JWNJVIJNNSONQL-UKRRQHHQSA-N 2 0 265.401 2.004 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(CC[NH+](C)C)CC(C)C)o1 ZINC000043365379 175026083 /nfs/dbraw/zinc/02/60/83/175026083.db2.gz VWVGTHFOXQAVSX-ZBFHGGJFSA-N 2 0 281.444 2.496 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000043805968 175108439 /nfs/dbraw/zinc/10/84/39/175108439.db2.gz BZEHBNFFPARJOQ-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810804 175110529 /nfs/dbraw/zinc/11/05/29/175110529.db2.gz MSCYFFOVTCFSSC-DOTOQJQBSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815260 175111497 /nfs/dbraw/zinc/11/14/97/175111497.db2.gz YLQUCCQMXWAAPQ-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815445 175112240 /nfs/dbraw/zinc/11/22/40/175112240.db2.gz IJFBJYOIKLNREI-DZGCQCFKSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897551 175120341 /nfs/dbraw/zinc/12/03/41/175120341.db2.gz UQNLWDOWIRUWHJ-UKRRQHHQSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897411 175120356 /nfs/dbraw/zinc/12/03/56/175120356.db2.gz GPZYMVMSFHLAMY-IMJJTQAJSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897426 175120700 /nfs/dbraw/zinc/12/07/00/175120700.db2.gz CBFGSPHDYQTUBD-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907755 175123132 /nfs/dbraw/zinc/12/31/32/175123132.db2.gz HFGDCLIMNJSPQZ-IAGOWNOFSA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965506 175127391 /nfs/dbraw/zinc/12/73/91/175127391.db2.gz ANCYSIYHICDSMD-DLBZAZTESA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967767 175128919 /nfs/dbraw/zinc/12/89/19/175128919.db2.gz DGRNQRPGXQNJKX-IRXDYDNUSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967760 175129137 /nfs/dbraw/zinc/12/91/37/175129137.db2.gz NDNJWVGSDBBAJF-PVAVHDDUSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000043967718 175129303 /nfs/dbraw/zinc/12/93/03/175129303.db2.gz URDVJNLAJCXBBC-SFHVURJKSA-N 2 0 287.451 2.426 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970789 175131975 /nfs/dbraw/zinc/13/19/75/175131975.db2.gz SBDIJELGMVZWOJ-GDBMZVCRSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970779 175132048 /nfs/dbraw/zinc/13/20/48/175132048.db2.gz FSPDNYNUPAMVJV-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NCC[NH+]1CCCCC1 ZINC000044806735 175256497 /nfs/dbraw/zinc/25/64/97/175256497.db2.gz UYLHIEBQIJFPNV-UHFFFAOYSA-N 2 0 283.460 2.134 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)CC(C)(C)C ZINC000045068429 175300172 /nfs/dbraw/zinc/30/01/72/175300172.db2.gz DGTACIGUILYHJY-LBPRGKRZSA-N 2 0 277.412 2.450 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045113967 175311143 /nfs/dbraw/zinc/31/11/43/175311143.db2.gz ZCNZUEPZAZFVEP-VXGBXAGGSA-N 2 0 278.400 2.039 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CCCOCC(F)(F)F)C1 ZINC000045134753 175312739 /nfs/dbraw/zinc/31/27/39/175312739.db2.gz MQJKMYQEVSYSDE-LBPRGKRZSA-N 2 0 282.350 2.275 10 0 CEAERP CC[C@H]1C[C@@H]([NH+]2CCC(CC[NH2+]C)CC2)CCO1 ZINC000070368571 175898686 /nfs/dbraw/zinc/89/86/86/175898686.db2.gz LXTKHDWCTVNVHL-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000656200061 415635737 /nfs/dbraw/zinc/63/57/37/415635737.db2.gz IXGBQESELCTUNX-CABCVRRESA-N 2 0 261.413 2.219 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1OCCc2ccccc21 ZINC000071090938 176031470 /nfs/dbraw/zinc/03/14/70/176031470.db2.gz CYIRYGXIULWZLK-BBRMVZONSA-N 2 0 262.397 2.230 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000071124610 176035200 /nfs/dbraw/zinc/03/52/00/176035200.db2.gz AQRSEHPGXXGZDG-ARFHVFGLSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC3CC3)CC2)C1 ZINC000071123899 176035392 /nfs/dbraw/zinc/03/53/92/176035392.db2.gz KHWSCCJYFKKDGO-RDJZCZTQSA-N 2 0 279.472 2.312 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191306 176069532 /nfs/dbraw/zinc/06/95/32/176069532.db2.gz SGKOAYISVMIRBV-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191377 176069566 /nfs/dbraw/zinc/06/95/66/176069566.db2.gz KGFLDFOJWAAJTR-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000071191514 176069855 /nfs/dbraw/zinc/06/98/55/176069855.db2.gz CMHPCKVZWIHLBQ-CQSZACIVSA-N 2 0 269.477 2.284 10 0 CEAERP CN(CC[C@H]([NH3+])c1cccc(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071191257 176070013 /nfs/dbraw/zinc/07/00/13/176070013.db2.gz LKMMAFOYQGXUEG-CJNGLKHVSA-N 2 0 279.403 2.099 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191970 176071279 /nfs/dbraw/zinc/07/12/79/176071279.db2.gz OLFNMOWRJDAZSZ-HUUCEWRRSA-N 2 0 269.477 2.283 10 0 CEAERP Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C[NH2+]C1CC1 ZINC000071191951 176071739 /nfs/dbraw/zinc/07/17/39/176071739.db2.gz KHJQIAVTNZWMEK-AWEZNQCLSA-N 2 0 291.439 2.224 10 0 CEAERP C[N@H+](CCCC[NH2+]C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000071191979 176072448 /nfs/dbraw/zinc/07/24/48/176072448.db2.gz ZWYDLHLBXSWCJS-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000071289923 176110410 /nfs/dbraw/zinc/11/04/10/176110410.db2.gz NKFCAEMGMHLRNG-UHFFFAOYSA-N 2 0 264.417 2.257 10 0 CEAERP CN1CCC[C@H]([N@H+](C)CCCCCC[NH2+]C2CC2)C1 ZINC000071289774 176110654 /nfs/dbraw/zinc/11/06/54/176110654.db2.gz LOTHYSOLXIMJEJ-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]C1 ZINC000071378499 176143207 /nfs/dbraw/zinc/14/32/07/176143207.db2.gz OCMHIBFOGADDCW-KRWDZBQOSA-N 2 0 295.471 2.147 10 0 CEAERP COc1cc(C)cc(C)c1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076655187 177045120 /nfs/dbraw/zinc/04/51/20/177045120.db2.gz XSBJJQVBXRSMCQ-ZDUSSCGKSA-N 2 0 250.386 2.306 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666743895 419411494 /nfs/dbraw/zinc/41/14/94/419411494.db2.gz LRQQTASULZFOGG-IUODEOHRSA-N 2 0 255.365 2.452 10 0 CEAERP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH2+]CC1 ZINC000398164644 270356506 /nfs/dbraw/zinc/35/65/06/270356506.db2.gz DDGQNBKVIZAYMP-SFHVURJKSA-N 2 0 289.467 2.485 10 0 CEAERP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000516173839 313082839 /nfs/dbraw/zinc/08/28/39/313082839.db2.gz DJIALPWICLANIG-NCOADZHNSA-N 2 0 281.488 2.475 10 0 CEAERP CC(C)[NH+]1CCN(CC[NH2+]CC2CCCCC2)CC1 ZINC000053382735 519682545 /nfs/dbraw/zinc/68/25/45/519682545.db2.gz XPJBTLMFSXCVRB-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[NH2+]CC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515496 519722331 /nfs/dbraw/zinc/72/23/31/519722331.db2.gz QJYYIKUUPKCCQC-AWEZNQCLSA-N 3 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]CCCCC[NH+]1CCN(C2CC2)CC1 ZINC000052371378 519743250 /nfs/dbraw/zinc/74/32/50/519743250.db2.gz WBNQZSBZRWYTCU-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515268 519744411 /nfs/dbraw/zinc/74/44/11/519744411.db2.gz IZAIOYSEYPBJPU-OAHLLOKOSA-N 3 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903730 519748332 /nfs/dbraw/zinc/74/83/32/519748332.db2.gz WCOLUAHRGFRYEW-UHFFFAOYSA-N 2 0 296.484 2.419 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000055085660 519885230 /nfs/dbraw/zinc/88/52/30/519885230.db2.gz HBGCRXBSHLESHR-UHFFFAOYSA-N 2 0 297.487 2.332 10 0 CEAERP CC[NH2+]CCCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055074416 519919412 /nfs/dbraw/zinc/91/94/12/519919412.db2.gz FUWKIKMMLDEVIQ-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@H+](C)C2)nc1C ZINC000054998286 519974413 /nfs/dbraw/zinc/97/44/13/519974413.db2.gz ONVPLPZNSQWLFJ-ZDUSSCGKSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)C1CCOCC1 ZINC000052481284 520006244 /nfs/dbraw/zinc/00/62/44/520006244.db2.gz WZYXJRXQTWWBIP-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069381017 521120626 /nfs/dbraw/zinc/12/06/26/521120626.db2.gz YWPYRYVDJIJWJM-CVEARBPZSA-N 2 0 267.461 2.454 10 0 CEAERP CCN1CCC([N@H+](C)CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050953786 521561675 /nfs/dbraw/zinc/56/16/75/521561675.db2.gz VPUWGXRFVKUHIS-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCN1CCC([N@H+](C)CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953789 521561713 /nfs/dbraw/zinc/56/17/13/521561713.db2.gz VPUWGXRFVKUHIS-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(N(C)c2ncc([C@@H](C)[NH3+])s2)CC1 ZINC000054897688 521568802 /nfs/dbraw/zinc/56/88/02/521568802.db2.gz RKEPUSFGNSZLSD-SNVBAGLBSA-N 2 0 268.430 2.083 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482115 522058140 /nfs/dbraw/zinc/05/81/40/522058140.db2.gz SAHHBMMCNGEABS-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542133 522093428 /nfs/dbraw/zinc/09/34/28/522093428.db2.gz VCCVBOJDPGYLQY-CABCVRRESA-N 2 0 280.437 2.480 10 0 CEAERP C[NH2+]Cc1occc1CN(CC[NH+](C)C)CC(C)C ZINC000052503328 522163106 /nfs/dbraw/zinc/16/31/06/522163106.db2.gz RMNOPBPDXJNTIT-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP C[C@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400331545 533872461 /nfs/dbraw/zinc/87/24/61/533872461.db2.gz BZYXDPXNTBCDDZ-XJKSGUPXSA-N 2 0 269.392 2.365 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083003 522544379 /nfs/dbraw/zinc/54/43/79/522544379.db2.gz DOJYSRRUDSKICX-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP C(CN1CC[NH+](C2CCCC2)CC1)[NH2+]CC1CCCC1 ZINC000053388914 518390008 /nfs/dbraw/zinc/39/00/08/518390008.db2.gz DJMQRJHWPKCOAR-UHFFFAOYSA-N 2 0 279.472 2.326 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[NH+]2CCCC2)CCOCC1 ZINC000052180651 518753948 /nfs/dbraw/zinc/75/39/48/518753948.db2.gz NRAITXDPGNLMKJ-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCOCC2(C)C)O1 ZINC000052546197 518762960 /nfs/dbraw/zinc/76/29/60/518762960.db2.gz OSTIWXMIWQZIFC-KGLIPLIRSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055139090 519615471 /nfs/dbraw/zinc/61/54/71/519615471.db2.gz OROXFWMMQBPXOI-GJZGRUSLSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000055076097 519726121 /nfs/dbraw/zinc/72/61/21/519726121.db2.gz MYLRSZHHZJSVND-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CC[NH+](CC3CC3)CC2)o1 ZINC000052372449 519726551 /nfs/dbraw/zinc/72/65/51/519726551.db2.gz PTFSMTDHBZCFDB-UHFFFAOYSA-N 2 0 291.439 2.305 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1OCCOCC[NH+](C)C ZINC000052669657 519727800 /nfs/dbraw/zinc/72/78/00/519727800.db2.gz HZLDUKJWPIVBCJ-UHFFFAOYSA-N 2 0 280.412 2.142 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN(C)C1CC[NH+](C)CC1 ZINC000052419841 519730321 /nfs/dbraw/zinc/73/03/21/519730321.db2.gz AJYFKXFUINGPPV-UHFFFAOYSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379613 519744906 /nfs/dbraw/zinc/74/49/06/519744906.db2.gz YKSNFTJOLKTJKD-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CC(C)C)O1 ZINC000052452837 519744969 /nfs/dbraw/zinc/74/49/69/519744969.db2.gz OKKAPYQLEPZWPI-GJZGRUSLSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC000062771974 519816064 /nfs/dbraw/zinc/81/60/64/519816064.db2.gz CBDOSQOETUWWKQ-RDJZCZTQSA-N 2 0 293.455 2.072 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559447 519858518 /nfs/dbraw/zinc/85/85/18/519858518.db2.gz YNLMSIZZWMTLDD-ULQDDVLXSA-N 2 0 281.488 2.414 10 0 CEAERP CCCC1CC[NH+](CCn2cc(C[NH2+]C(C)C)nn2)CC1 ZINC000052373958 519901629 /nfs/dbraw/zinc/90/16/29/519901629.db2.gz SMYWNYLICGAZEZ-UHFFFAOYSA-N 2 0 293.459 2.288 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH+](C)C ZINC000054629047 519907264 /nfs/dbraw/zinc/90/72/64/519907264.db2.gz VJQHDQDLJJXZIJ-MQVJKMGUSA-N 3 0 267.461 2.323 10 0 CEAERP CCC[NH2+]CC1(CN(CCC)CC[NH+](C)C)CCOCC1 ZINC000052183222 519910037 /nfs/dbraw/zinc/91/00/37/519910037.db2.gz CBWQAOLXOWSLAR-UHFFFAOYSA-N 2 0 299.503 2.056 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2OC)O1 ZINC000052542306 519951901 /nfs/dbraw/zinc/95/19/01/519951901.db2.gz JLTCPMZODCJXHM-HOTGVXAUSA-N 2 0 292.423 2.284 10 0 CEAERP CCC[NH2+]Cc1ccc(OCCOCC[NH+](C)C)cc1 ZINC000052669684 519952256 /nfs/dbraw/zinc/95/22/56/519952256.db2.gz LUVSZSRVBMRQNV-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)C2CCCC2)O1 ZINC000052475584 519977042 /nfs/dbraw/zinc/97/70/42/519977042.db2.gz BQUCDHYAEYPMAF-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)on1 ZINC000052510030 519990170 /nfs/dbraw/zinc/99/01/70/519990170.db2.gz IBQSONXBNDMJCK-NEPJUHHUSA-N 2 0 251.374 2.405 10 0 CEAERP CC[NH2+]Cc1cccc(OCC[NH+]2CCC(OC)CC2)c1 ZINC000052455274 520006841 /nfs/dbraw/zinc/00/68/41/520006841.db2.gz ZIBCQLFIJHUIAB-UHFFFAOYSA-N 2 0 292.423 2.286 10 0 CEAERP CC[NH2+]Cc1ccoc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571615 520009989 /nfs/dbraw/zinc/00/99/89/520009989.db2.gz FHACEWRNGLWTTE-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](CCO)C1CCCC1 ZINC000053875181 520019655 /nfs/dbraw/zinc/01/96/55/520019655.db2.gz UBPRTKGVQGNGEK-GDBMZVCRSA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573501 520029339 /nfs/dbraw/zinc/02/93/39/520029339.db2.gz WREMZJLAPYBAIH-UHFFFAOYSA-N 2 0 291.439 2.449 10 0 CEAERP CCC[NH2+][C@H](C)c1cnc(N2CCC[N@H+](C)CC2)s1 ZINC000054899139 520067693 /nfs/dbraw/zinc/06/76/93/520067693.db2.gz MJQQCFXUKWRGKU-GFCCVEGCSA-N 2 0 282.457 2.346 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066065 520092820 /nfs/dbraw/zinc/09/28/20/520092820.db2.gz AFVGASNFJIYJMV-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081866 520093070 /nfs/dbraw/zinc/09/30/70/520093070.db2.gz RICBKRGGFQXQKJ-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979444 520117001 /nfs/dbraw/zinc/11/70/01/520117001.db2.gz CYGJCEQGGCIOHR-BBWFWOEESA-N 2 0 279.472 2.467 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643066 520121861 /nfs/dbraw/zinc/12/18/61/520121861.db2.gz JCILXWVPXFTTQQ-LSDHHAIUSA-N 2 0 255.450 2.310 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000053498550 520224729 /nfs/dbraw/zinc/22/47/29/520224729.db2.gz TVYPDCDNRIKWSS-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCCOc1cccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)c1 ZINC000052920922 520466504 /nfs/dbraw/zinc/46/65/04/520466504.db2.gz IOIMEZSYPANFFO-KRWDZBQOSA-N 2 0 291.439 2.113 10 0 CEAERP CCCC[N@H+](CC1(C[NH2+]C)CCOCC1)C1CC1 ZINC000052182592 520484644 /nfs/dbraw/zinc/48/46/44/520484644.db2.gz KUGLBKSFFYFFDB-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH+](CC)CCCNC(=O)CCC1CCC([NH3+])CC1 ZINC000055123429 520611432 /nfs/dbraw/zinc/61/14/32/520611432.db2.gz WWZOMFQZNZVTOS-UHFFFAOYSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH+](CC)CCC[NH2+]CCCOCC(F)(F)F ZINC000049312228 520622914 /nfs/dbraw/zinc/62/29/14/520622914.db2.gz NGKUOLVAOKXYRJ-UHFFFAOYSA-N 2 0 270.339 2.277 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627602 520626973 /nfs/dbraw/zinc/62/69/73/520626973.db2.gz YYUUVFKJJHYPHQ-WZYMTQMTSA-N 3 0 267.461 2.451 10 0 CEAERP CCC[C@@H](C)[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075345 520666670 /nfs/dbraw/zinc/66/66/70/520666670.db2.gz ZIPZHKCBVWTGRB-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@H](C)[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078075 520674175 /nfs/dbraw/zinc/67/41/75/520674175.db2.gz PGUNHWJMSPAJNV-CABCVRRESA-N 2 0 255.450 2.024 10 0 CEAERP CC[NH+](CC)CCOC[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052672033 520694282 /nfs/dbraw/zinc/69/42/82/520694282.db2.gz CIZJAZMIWFTTIT-HUUCEWRRSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C[NH2+]CCOC)cc1 ZINC000062729036 520697968 /nfs/dbraw/zinc/69/79/68/520697968.db2.gz SGTBSGVXNUWMGK-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c([C@H](C)C[NH3+])c(C)n1 ZINC000054837045 520711887 /nfs/dbraw/zinc/71/18/87/520711887.db2.gz LMBJVVAZQRBDGG-LLVKDONJSA-N 2 0 264.417 2.040 10 0 CEAERP CC[NH+](CC)C[C@@H](C)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC000053034618 520713380 /nfs/dbraw/zinc/71/33/80/520713380.db2.gz OLEMAGHUILTIBO-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000069379709 521253780 /nfs/dbraw/zinc/25/37/80/521253780.db2.gz UFFDLRVBKQJBNI-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@H+](Cc1ccoc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504834 521424926 /nfs/dbraw/zinc/42/49/26/521424926.db2.gz IQRBZTDHBQQRHQ-LBPRGKRZSA-N 2 0 266.385 2.388 10 0 CEAERP CCCc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1C[NH3+] ZINC000055001486 521532905 /nfs/dbraw/zinc/53/29/05/521532905.db2.gz MDDAKAMLNXNSHK-UHFFFAOYSA-N 2 0 296.484 2.475 10 0 CEAERP CC[NH+]1CCC(CN2[C@@H]3CCC[C@H]2CC([NH3+])C3)CC1 ZINC000054602790 521550299 /nfs/dbraw/zinc/55/02/99/521550299.db2.gz JLLZJFMFWAIRIL-MQVJKMGUSA-N 2 0 265.445 2.063 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055147771 521555659 /nfs/dbraw/zinc/55/56/59/521555659.db2.gz VEGZXWNGDCPNCD-HUUCEWRRSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+]1CCC(N(C)c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054897685 521567061 /nfs/dbraw/zinc/56/70/61/521567061.db2.gz FPVFXUAWDGBLDD-LBPRGKRZSA-N 2 0 294.468 2.400 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)CC1 ZINC000063218517 521584261 /nfs/dbraw/zinc/58/42/61/521584261.db2.gz CJPSPQMEXAFACC-QAPCUYQASA-N 2 0 290.451 2.300 10 0 CEAERP CCC(CC)[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075996 521596000 /nfs/dbraw/zinc/59/60/00/521596000.db2.gz UKLXNJXYPQSZMF-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052544301 521658121 /nfs/dbraw/zinc/65/81/21/521658121.db2.gz QNRKVPIMNAJOJR-AWEZNQCLSA-N 2 0 257.466 2.427 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000045663756 521658843 /nfs/dbraw/zinc/65/88/43/521658843.db2.gz WQNUACXOXWLUHZ-CJNGLKHVSA-N 2 0 281.419 2.488 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1c(C[NH3+])cnc2ccccc21 ZINC000061641591 521873386 /nfs/dbraw/zinc/87/33/86/521873386.db2.gz VXNDQAMGJCDIQO-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2cccc(F)c2)O1 ZINC000052425378 522060250 /nfs/dbraw/zinc/06/02/50/522060250.db2.gz GXITTYJDEJBNGY-LSDHHAIUSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]C[C@H](OCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000052673722 522076142 /nfs/dbraw/zinc/07/61/42/522076142.db2.gz QZDZXFNMBNIVLH-HOTGVXAUSA-N 2 0 262.397 2.448 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000062971812 522103272 /nfs/dbraw/zinc/10/32/72/522103272.db2.gz VEDOMCJRSLJBJH-CYBMUJFWSA-N 2 0 287.407 2.288 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[NH2+]C(C)(C)C)CC1 ZINC000055069226 522118214 /nfs/dbraw/zinc/11/82/14/522118214.db2.gz RUFWWFYIPTWLPU-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083466 522123827 /nfs/dbraw/zinc/12/38/27/522123827.db2.gz TXOHDUHOHARMAB-QZWWFDLISA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H](CC[NH3+])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000049254430 522127016 /nfs/dbraw/zinc/12/70/16/522127016.db2.gz LUVWQFDBLLRUGT-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000052540156 522128026 /nfs/dbraw/zinc/12/80/26/522128026.db2.gz RLBJCJAPUFZSBM-JKSUJKDBSA-N 2 0 260.381 2.159 10 0 CEAERP C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000052540155 522128909 /nfs/dbraw/zinc/12/89/09/522128909.db2.gz RLBJCJAPUFZSBM-HOTGVXAUSA-N 2 0 260.381 2.159 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2sccc2C)CC1 ZINC000055064040 522131433 /nfs/dbraw/zinc/13/14/33/522131433.db2.gz SDBKNVAAEVDFKH-ZIAGYGMSSA-N 2 0 281.469 2.472 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)CCc1ccccn1 ZINC000052423990 522133579 /nfs/dbraw/zinc/13/35/79/522133579.db2.gz BRVPQYBGNPWUSG-UHFFFAOYSA-N 2 0 269.392 2.476 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000055076306 522136137 /nfs/dbraw/zinc/13/61/37/522136137.db2.gz SMUWEPFHQIVNQF-NEPJUHHUSA-N 2 0 294.468 2.400 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc(C)cc(C)c2C[NH3+])CC1 ZINC000055063361 522137613 /nfs/dbraw/zinc/13/76/13/522137613.db2.gz TUKDWMAKNYMDIT-CQSZACIVSA-N 2 0 276.428 2.078 10 0 CEAERP C[NH2+]Cc1oc2ccccc2c1COCC[NH+](C)C ZINC000052669573 522159327 /nfs/dbraw/zinc/15/93/27/522159327.db2.gz XPFXOGGMQKSIIW-UHFFFAOYSA-N 2 0 262.353 2.230 10 0 CEAERP CC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075900 522227837 /nfs/dbraw/zinc/22/78/37/522227837.db2.gz CYKROUVJHSLXJH-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCOc1ccc(C[NH2+]C)cc1 ZINC000052571024 523342692 /nfs/dbraw/zinc/34/26/92/523342692.db2.gz OAECVRKDRFGJCE-HOCLYGCPSA-N 2 0 292.423 2.284 10 0 CEAERP COCC[N@H+]([C@@H](C)CCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572403 523779980 /nfs/dbraw/zinc/77/99/80/523779980.db2.gz GUNQYFUQUKEHQT-GJZGRUSLSA-N 2 0 274.449 2.136 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065220 523953897 /nfs/dbraw/zinc/95/38/97/523953897.db2.gz KDKARGWBQBALTF-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000055065416 523954837 /nfs/dbraw/zinc/95/48/37/523954837.db2.gz BBJVGCHAVCQMHQ-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083439 523956029 /nfs/dbraw/zinc/95/60/29/523956029.db2.gz BXAYSRFOZCFKGA-YJBOKZPZSA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000055074008 523957116 /nfs/dbraw/zinc/95/71/16/523957116.db2.gz NCGNDRQTEDVFDU-ZDUSSCGKSA-N 2 0 279.428 2.224 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055064269 523957268 /nfs/dbraw/zinc/95/72/68/523957268.db2.gz ZAJJWWVKXYPTEX-ZDUSSCGKSA-N 2 0 279.403 2.201 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065305 523958062 /nfs/dbraw/zinc/95/80/62/523958062.db2.gz FMTIIXVSXBTDMH-QGTPRVQTSA-N 2 0 287.451 2.417 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2C)CC1 ZINC000055064089 523959496 /nfs/dbraw/zinc/95/94/96/523959496.db2.gz LBBVFGQRRLFVOF-DOTOQJQBSA-N 2 0 275.440 2.411 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCC(C[NH3+])CC1 ZINC000055146366 524101493 /nfs/dbraw/zinc/10/14/93/524101493.db2.gz YBKKMXYEGKOOQH-QQFBHYJXSA-N 2 0 295.471 2.132 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052379031 524110666 /nfs/dbraw/zinc/11/06/66/524110666.db2.gz KHJBWJMCICUSQQ-YUELXQCFSA-N 2 0 252.402 2.160 10 0 CEAERP C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)CC[NH+]1CCCC1 ZINC000063054308 524143366 /nfs/dbraw/zinc/14/33/66/524143366.db2.gz XDLOYUUNCLNRPN-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP Cc1ccc(C)c([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061643542 524203502 /nfs/dbraw/zinc/20/35/02/524203502.db2.gz XOPKLMAOMQJWOC-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CC[N@H+](Cc2cc(C[NH2+]C(C)(C)C)no2)C1 ZINC000052484455 524290963 /nfs/dbraw/zinc/29/09/63/524290963.db2.gz GXVDZDCOSICUIZ-NSHDSACASA-N 2 0 251.374 2.405 10 0 CEAERP C[C@@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125547 524392153 /nfs/dbraw/zinc/39/21/53/524392153.db2.gz JOKPHYFNVRZQMH-FXUDXRNXSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1ccc(C[N@@H+](C)Cc2cccnc2C[NH3+])cc1 ZINC000061656491 524394941 /nfs/dbraw/zinc/39/49/41/524394941.db2.gz SZGXGBVVTJJMPM-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)Cc1cnn(C)c1 ZINC000052570397 524457873 /nfs/dbraw/zinc/45/78/73/524457873.db2.gz HLSIYNCLUXMANE-ZDUSSCGKSA-N 2 0 266.433 2.409 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571607 524477280 /nfs/dbraw/zinc/47/72/80/524477280.db2.gz REIGQKBKVIPVJD-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974552 524480564 /nfs/dbraw/zinc/48/05/64/524480564.db2.gz RWELWMOFZUVUDL-WBVHZDCISA-N 2 0 279.472 2.467 10 0 CEAERP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1C ZINC000052790279 524757907 /nfs/dbraw/zinc/75/79/07/524757907.db2.gz IUSGPRVJQPMVGX-CQSZACIVSA-N 2 0 261.413 2.216 10 0 CEAERP C[C@H]([NH3+])c1c(F)cccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644797 524863486 /nfs/dbraw/zinc/86/34/86/524863486.db2.gz WJJUEACOLQBSQL-NWDGAFQWSA-N 2 0 265.376 2.376 10 0 CEAERP C[C@H]([NH2+]CCN1CC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000062974167 525355742 /nfs/dbraw/zinc/35/57/42/525355742.db2.gz PDTBKSKXSNJONX-STQMWFEESA-N 2 0 267.442 2.035 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c(C)s1 ZINC000061642855 525482015 /nfs/dbraw/zinc/48/20/15/525482015.db2.gz YBOUCQSULSXKKZ-UKRRQHHQSA-N 2 0 281.469 2.391 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077059 525785287 /nfs/dbraw/zinc/78/52/87/525785287.db2.gz CHMFKXCVMBFUOS-GOEBONIOSA-N 2 0 279.428 2.250 10 0 CEAERP C[C@@H]([C@H]([NH3+])c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052684814 526024415 /nfs/dbraw/zinc/02/44/15/526024415.db2.gz RHVNETGXFISIEE-BBRMVZONSA-N 2 0 261.413 2.101 10 0 CEAERP c1csc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)c1 ZINC000053012782 526577943 /nfs/dbraw/zinc/57/79/43/526577943.db2.gz HWNLTRDORHKLFV-LBPRGKRZSA-N 2 0 250.411 2.365 10 0 CEAERP NC(=[NH2+])c1ccc(OCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050911425 526822843 /nfs/dbraw/zinc/82/28/43/526822843.db2.gz LREWRJCOXYQZCB-UHFFFAOYSA-N 2 0 281.359 2.365 10 0 CEAERP CC[NH+]1CCC2(CC1)[NH2+][C@H](C(C)C)C(C)(C)CO2 ZINC000757150347 574510738 /nfs/dbraw/zinc/51/07/38/574510738.db2.gz PMDGQJLGDQTARA-CYBMUJFWSA-N 2 0 254.418 2.469 10 0 CEAERP Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000311831379 627702552 /nfs/dbraw/zinc/70/25/52/627702552.db2.gz PDHODLBDSJMHMH-RRFJBIMHSA-N 2 0 260.381 2.043 10 0 CEAERP C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151292913 639256080 /nfs/dbraw/zinc/25/60/80/639256080.db2.gz HMRABIBORWYMTE-ZIAGYGMSSA-N 2 0 288.501 2.343 10 0 CEAERP C[C@H]1CCC[C@H](c2cncn2CCC[NH+](C)C)[NH2+]1 ZINC000097010937 185151534 /nfs/dbraw/zinc/15/15/34/185151534.db2.gz GTKMLBMAJBXFBB-QWHCGFSZSA-N 2 0 250.390 2.038 10 0 CEAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(C[NH3+])CC3)CC[C@@H]21 ZINC000097031416 185154933 /nfs/dbraw/zinc/15/49/33/185154933.db2.gz FHVSQCPIAUFTPS-BACDZXNISA-N 3 0 279.472 2.168 10 0 CEAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868474 343813538 /nfs/dbraw/zinc/81/35/38/343813538.db2.gz VKBLCBBEAZYBTR-MRXNPFEDSA-N 2 0 276.424 2.211 10 0 CEAERP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](C(=[NH2+])NO)C2)c1 ZINC000584633984 344970532 /nfs/dbraw/zinc/97/05/32/344970532.db2.gz UZUGGTNBMYWFPV-CQSZACIVSA-N 2 0 291.395 2.499 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1([NH3+])CCCCC1 ZINC000084162476 178810971 /nfs/dbraw/zinc/81/09/71/178810971.db2.gz FJZOTOGSTXZKTN-OAHLLOKOSA-N 2 0 295.471 2.419 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000085102097 178950415 /nfs/dbraw/zinc/95/04/15/178950415.db2.gz SOTUFYCQVUXJLB-IIAWOOMASA-N 2 0 267.461 2.166 10 0 CEAERP C[C@@](O)(C[NH3+])CCC[NH+]1CCC2(CCCC2)CC1 ZINC000085302810 179010881 /nfs/dbraw/zinc/01/08/81/179010881.db2.gz VAEXJVAXJRCFEA-AWEZNQCLSA-N 2 0 254.418 2.133 10 0 CEAERP CCc1nc2c(n1CCCC[N@H+](C)C(C)C)CC[NH2+]C2 ZINC000085572996 179097929 /nfs/dbraw/zinc/09/79/29/179097929.db2.gz BSSVKZXSHIYXNI-UHFFFAOYSA-N 2 0 278.444 2.212 10 0 CEAERP CC[N@@H+]1CCC[C@H](n2c3c(nc2C(C)C)C[NH2+]CC3)C1 ZINC000085572805 179098088 /nfs/dbraw/zinc/09/80/88/179098088.db2.gz NYSAEVPXYSWCTR-ZDUSSCGKSA-N 2 0 276.428 2.309 10 0 CEAERP C[N@@H+]1CCCC[C@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085572822 179098598 /nfs/dbraw/zinc/09/85/98/179098598.db2.gz YYDFDCNBNCQDBU-ZDUSSCGKSA-N 2 0 290.455 2.311 10 0 CEAERP C[NH+](C)CCn1c2c(nc1C1CCCCC1)C[NH2+]CC2 ZINC000085605836 179100240 /nfs/dbraw/zinc/10/02/40/179100240.db2.gz SPIHMKDNVSYTAI-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637177 179109941 /nfs/dbraw/zinc/10/99/41/179109941.db2.gz HQSLJAOPYKXDQM-KFWWJZLASA-N 2 0 266.429 2.121 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173761 179244660 /nfs/dbraw/zinc/24/46/60/179244660.db2.gz CPGBFYFSCGXKOI-BBWFWOEESA-N 2 0 281.488 2.425 10 0 CEAERP CCC[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086217777 179249398 /nfs/dbraw/zinc/24/93/98/179249398.db2.gz UBGPHTNEFDBFKR-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]1CN(CCC[NH+](C)C)[C@H](c2ccccc2)C[NH2+]1 ZINC000086217785 179249494 /nfs/dbraw/zinc/24/94/94/179249494.db2.gz SQZZJNYCERBRSB-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223133 179252151 /nfs/dbraw/zinc/25/21/51/179252151.db2.gz XCNUTIAMARTXCB-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)CC1 ZINC000086227319 179254764 /nfs/dbraw/zinc/25/47/64/179254764.db2.gz UIEQKJCCQJTNFR-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259204 179258072 /nfs/dbraw/zinc/25/80/72/179258072.db2.gz YMFFJVNNIPVYDS-PVAVHDDUSA-N 2 0 279.472 2.181 10 0 CEAERP Cc1[nH+]ccc(NCCC[NH2+]Cc2cccnc2)c1Cl ZINC000336832462 365898237 /nfs/dbraw/zinc/89/82/37/365898237.db2.gz FIYVYVFQKPVMRJ-UHFFFAOYSA-N 2 0 290.798 2.452 10 0 CEAERP CCC[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261131 179260397 /nfs/dbraw/zinc/26/03/97/179260397.db2.gz YNELUSNYMRYMKN-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP C1CCC2(CC1)CN([C@@H]1C[NH+]3CCC1CC3)CCC[NH2+]2 ZINC000086285926 179263661 /nfs/dbraw/zinc/26/36/61/179263661.db2.gz QEQUFRQAMLPIHQ-MRXNPFEDSA-N 2 0 277.456 2.079 10 0 CEAERP C[C@H]([C@H]1CCCO1)[N@@H+]1CCC[NH2+][C@@](C)(C2CC2)C1 ZINC000086287101 179264441 /nfs/dbraw/zinc/26/44/41/179264441.db2.gz ADRIXZDXDFEJEZ-BPLDGKMQSA-N 2 0 252.402 2.018 10 0 CEAERP CC(C)[C@H]1C[NH2+]C(C)(C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255794 179256684 /nfs/dbraw/zinc/25/66/84/179256684.db2.gz MXNWHXYHDJLVLW-UONOGXRCSA-N 2 0 255.450 2.035 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291488 179266463 /nfs/dbraw/zinc/26/64/63/179266463.db2.gz NBWXRBNSOIFAGC-NVXWUHKLSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268099 /nfs/dbraw/zinc/26/80/99/179268099.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 3 0 269.477 2.427 10 0 CEAERP CC[C@@]1(C)C[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000086293866 179268398 /nfs/dbraw/zinc/26/83/98/179268398.db2.gz KDSPCHPTXDINSK-RDJZCZTQSA-N 2 0 274.408 2.454 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000086666681 179317202 /nfs/dbraw/zinc/31/72/02/179317202.db2.gz ANXLBAIKHXZGNE-OAHLLOKOSA-N 2 0 260.381 2.066 10 0 CEAERP CCC1(C)CCN([C@]2(C[NH3+])CCC[N@H+](C)CC2)CC1 ZINC000086819592 179348656 /nfs/dbraw/zinc/34/86/56/179348656.db2.gz QUIIKUVEWMENRP-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086848172 179356004 /nfs/dbraw/zinc/35/60/04/179356004.db2.gz FBVWOHYYLMANJL-KRWDZBQOSA-N 2 0 291.439 2.447 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846930 179356363 /nfs/dbraw/zinc/35/63/63/179356363.db2.gz OBIRRJKEIGMQQY-CABCVRRESA-N 2 0 285.501 2.017 10 0 CEAERP CCN(Cc1ccncc1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847948 179356633 /nfs/dbraw/zinc/35/66/33/179356633.db2.gz YIJQQVCTHOQPCW-QGZVFWFLSA-N 2 0 290.455 2.107 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCCn2ccnc2)CC1 ZINC000086837156 179351607 /nfs/dbraw/zinc/35/16/07/179351607.db2.gz AIUBWRADBQHKIV-HNNXBMFYSA-N 2 0 264.417 2.126 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843435 179353633 /nfs/dbraw/zinc/35/36/33/179353633.db2.gz GDVOMOLTJHOFLB-LSDHHAIUSA-N 2 0 265.445 2.076 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCc3ccccc32)CC1 ZINC000086846392 179354796 /nfs/dbraw/zinc/35/47/96/179354796.db2.gz MVOANJMNBZQIFN-QGZVFWFLSA-N 2 0 273.424 2.252 10 0 CEAERP CCCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846788 179355716 /nfs/dbraw/zinc/35/57/16/179355716.db2.gz RENNYFFAWCUZMW-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CCCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000086851108 179359723 /nfs/dbraw/zinc/35/97/23/179359723.db2.gz BJDXLTFRETZGOE-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)C(C)(C)CC)CC1 ZINC000086848848 179358231 /nfs/dbraw/zinc/35/82/31/179358231.db2.gz BEISKMFVXYFZEG-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCCN([C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](CCC)CC1 ZINC000086851064 179359198 /nfs/dbraw/zinc/35/91/98/179359198.db2.gz JOYSNSRZBTUUMH-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C)c1 ZINC000104201971 185929171 /nfs/dbraw/zinc/92/91/71/185929171.db2.gz ZINKZCMUOBRXLK-GOEBONIOSA-N 2 0 263.429 2.267 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000104195675 185926040 /nfs/dbraw/zinc/92/60/40/185926040.db2.gz UAHGGMVMOINYKX-JSGCOSHPSA-N 2 0 269.458 2.410 10 0 CEAERP CCC[NH2+]Cc1cncn1[C@@H](C)C[NH+]1CCCCC1 ZINC000090241277 179938238 /nfs/dbraw/zinc/93/82/38/179938238.db2.gz RFHDBVLWPMAIKC-AWEZNQCLSA-N 2 0 264.417 2.430 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000090566588 180006781 /nfs/dbraw/zinc/00/67/81/180006781.db2.gz QBYJARQMPGGWDZ-BFHYXJOUSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)[N@H+](CCC(N)=[NH2+])C[C@@H]1Cc2ccccc2O1 ZINC000090875219 180050756 /nfs/dbraw/zinc/05/07/56/180050756.db2.gz PJDABQZNBJMXGJ-ZDUSSCGKSA-N 2 0 261.369 2.027 10 0 CEAERP CCC[N@H+](C[C@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876225 180050851 /nfs/dbraw/zinc/05/08/51/180050851.db2.gz FKWUNNJFUUBHAY-MRXNPFEDSA-N 2 0 274.408 2.454 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878931 180052903 /nfs/dbraw/zinc/05/29/03/180052903.db2.gz OQWRKKYTBWOLKO-ABAIWWIYSA-N 2 0 278.371 2.188 10 0 CEAERP C[C@@H](C[NH2+]C[C@H]1Cc2cc(F)ccc2O1)C[NH+]1CCCC1 ZINC000090892751 180054869 /nfs/dbraw/zinc/05/48/69/180054869.db2.gz HDKCAZUBYQSROR-XJKSGUPXSA-N 2 0 292.398 2.451 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)O2 ZINC000090896667 180057079 /nfs/dbraw/zinc/05/70/79/180057079.db2.gz BWDPBAUHJCOAIN-BBRMVZONSA-N 2 0 274.408 2.358 10 0 CEAERP [NH3+][C@H](CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908651 180061572 /nfs/dbraw/zinc/06/15/72/180061572.db2.gz WLMLINYWSQIJGT-OWCLPIDISA-N 2 0 260.381 2.330 10 0 CEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)s1 ZINC000091313837 180132465 /nfs/dbraw/zinc/13/24/65/180132465.db2.gz HPAIYXRWZWKSPZ-SNVBAGLBSA-N 2 0 274.817 2.212 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091428974 180153065 /nfs/dbraw/zinc/15/30/65/180153065.db2.gz DGBYXNFZKCLCCZ-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC[NH2+]CCC(C)(C)C)C1 ZINC000091431965 180153562 /nfs/dbraw/zinc/15/35/62/180153562.db2.gz JCGRVLWWBKUFHW-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CN(C)[C@H]1CCC[N@H+](CCCC[NH2+]C(C)(C)C)C1 ZINC000091449221 180157648 /nfs/dbraw/zinc/15/76/48/180157648.db2.gz PBVCVPKJGBOXTI-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449860 180158078 /nfs/dbraw/zinc/15/80/78/180158078.db2.gz AXMFTITUTYUWFP-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091467973 180164465 /nfs/dbraw/zinc/16/44/65/180164465.db2.gz FQIGHIILSXUQNU-HZPDHXFCSA-N 2 0 262.397 2.013 10 0 CEAERP CCC1CCC(C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091393058 180145479 /nfs/dbraw/zinc/14/54/79/180145479.db2.gz JXHLGAVVFBBRLW-PCKAHOCUSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH2+][C@@H](C)CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395244 180146066 /nfs/dbraw/zinc/14/60/66/180146066.db2.gz MKIPOCOWCDBBIX-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@](C)([C@H](Cc1ccncc1)[NH2+]C)[NH+]1CCCC1 ZINC000091606896 180204106 /nfs/dbraw/zinc/20/41/06/180204106.db2.gz PVGONHACZYLNOE-HOTGVXAUSA-N 2 0 261.413 2.477 10 0 CEAERP CC[NH2+][C@H](Cc1ccnc(N)c1)[C@](C)(CC)[NH+]1CCCC1 ZINC000091607165 180204661 /nfs/dbraw/zinc/20/46/61/180204661.db2.gz UNOGKRILMUSESH-WBVHZDCISA-N 2 0 290.455 2.449 10 0 CEAERP COc1ccc(CC[C@@H]([NH3+])C(C)(C)[NH+](C)C)cc1 ZINC000091528377 180180002 /nfs/dbraw/zinc/18/00/02/180180002.db2.gz IKXQRJDACAOORM-CQSZACIVSA-N 2 0 250.386 2.295 10 0 CEAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000091545262 180186594 /nfs/dbraw/zinc/18/65/94/180186594.db2.gz WKROAUPXSUSWNL-ONGXEEELSA-N 2 0 250.308 2.388 10 0 CEAERP CCC(CC)([C@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635111 180210953 /nfs/dbraw/zinc/21/09/53/180210953.db2.gz JJKHPKOAWWYCJM-HNNXBMFYSA-N 2 0 278.444 2.205 10 0 CEAERP CCC(CC)([C@@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091635136 180211607 /nfs/dbraw/zinc/21/16/07/180211607.db2.gz PKPHVKPSEDCMIQ-OAHLLOKOSA-N 2 0 290.455 2.449 10 0 CEAERP CCN[C@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716487 180232969 /nfs/dbraw/zinc/23/29/69/180232969.db2.gz KGBMAWWKRYKAND-CQSZACIVSA-N 2 0 250.390 2.046 10 0 CEAERP CC[N@H+](Cc1ncc(Cl)n1C)C1CCC([NH3+])CC1 ZINC000091850846 180272367 /nfs/dbraw/zinc/27/23/67/180272367.db2.gz OFELSGUDIJBZIF-UHFFFAOYSA-N 2 0 270.808 2.165 10 0 CEAERP CCC[N@H+]([C@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091851805 180272960 /nfs/dbraw/zinc/27/29/60/180272960.db2.gz OLNKWGDWJJBVCO-LRVUVFPRSA-N 2 0 264.417 2.463 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844606 180268841 /nfs/dbraw/zinc/26/88/41/180268841.db2.gz FWCOIGQPNOONHE-SHARSMKWSA-N 3 0 253.434 2.063 10 0 CEAERP CCn1cc([C@@H](C)[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091844190 180268941 /nfs/dbraw/zinc/26/89/41/180268941.db2.gz PMDSOSGLQFBKMT-LMWSTFAQSA-N 2 0 250.390 2.166 10 0 CEAERP CC[N@H+]([C@H]1CCN(C(C)C)C1)C1CCC([NH3+])CC1 ZINC000091849640 180271313 /nfs/dbraw/zinc/27/13/13/180271313.db2.gz FCMVYJNYYDRGQR-NRXISQOPSA-N 2 0 253.434 2.061 10 0 CEAERP CC[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091922558 180286654 /nfs/dbraw/zinc/28/66/54/180286654.db2.gz HKNJEWAUBWCUGR-GPANFISMSA-N 2 0 268.445 2.379 10 0 CEAERP C[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCCCCC2)CC1 ZINC000091922427 180286731 /nfs/dbraw/zinc/28/67/31/180286731.db2.gz WLTIKUVWBJUVFN-HNNXBMFYSA-N 2 0 254.418 2.133 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)nc1C[C@@H](C)[NH3+] ZINC000092000050 180303654 /nfs/dbraw/zinc/30/36/54/180303654.db2.gz ODXYAJJGYBPHRZ-GFCCVEGCSA-N 2 0 265.401 2.000 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092001338 180303816 /nfs/dbraw/zinc/30/38/16/180303816.db2.gz ZQRJIMAOYOKCHS-CABCVRRESA-N 2 0 267.461 2.453 10 0 CEAERP CCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C[NH2+]C ZINC000092004861 180305891 /nfs/dbraw/zinc/30/58/91/180305891.db2.gz LKNMQIPGATUUIU-NEPJUHHUSA-N 2 0 294.468 2.098 10 0 CEAERP C[C@H]1C[NH+](CCCC(=O)Nc2cccc(C[NH3+])c2)C[C@@H]1C ZINC000092082226 180319349 /nfs/dbraw/zinc/31/93/49/180319349.db2.gz DBEOERFLYPRFHY-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP C[C@H]1C[NH+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C[C@@H]1C ZINC000092082186 180319371 /nfs/dbraw/zinc/31/93/71/180319371.db2.gz YGEIYPBZKIZGHA-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP CC(C)[NH2+][C@](C)(CO)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090224 180322019 /nfs/dbraw/zinc/32/20/19/180322019.db2.gz RHATYUGWQNRVLQ-XHSDSOJGSA-N 2 0 270.461 2.494 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090289 180322135 /nfs/dbraw/zinc/32/21/35/180322135.db2.gz OPIPXMFLIIAMDO-QLFBSQMISA-N 2 0 256.434 2.105 10 0 CEAERP CC[NH2+][C@](C)(CO)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090212 180322459 /nfs/dbraw/zinc/32/24/59/180322459.db2.gz WPYMMVICTLBZCI-ZNMIVQPWSA-N 2 0 256.434 2.105 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000092203852 180343810 /nfs/dbraw/zinc/34/38/10/180343810.db2.gz DBCAJMXXJZDLNH-HIFRSBDPSA-N 2 0 285.391 2.124 10 0 CEAERP CCNc1cccc(C[N@H+](C)CC2CC[NH+](C)CC2)n1 ZINC000092370685 180369918 /nfs/dbraw/zinc/36/99/18/180369918.db2.gz JNSRMUAMTMLBGX-UHFFFAOYSA-N 2 0 276.428 2.287 10 0 CEAERP Cc1cccc(C[N@H+](C)Cc2cccc(C[NH3+])c2)n1 ZINC000092427799 180383451 /nfs/dbraw/zinc/38/34/51/180383451.db2.gz XICXZUWNTSJKTM-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP CN(c1cc(CO)[nH+]c2ccccc21)C1CC[NH+](C)CC1 ZINC000109594138 186264664 /nfs/dbraw/zinc/26/46/64/186264664.db2.gz MPDVNCVMDPEFHI-UHFFFAOYSA-N 2 0 285.391 2.258 10 0 CEAERP CCC[C@@H](C[NH3+])N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000109463146 186254025 /nfs/dbraw/zinc/25/40/25/186254025.db2.gz KNAWGEKVGKRERX-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP CC[C@@H](C[NH3+])N1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000109460236 186254039 /nfs/dbraw/zinc/25/40/39/186254039.db2.gz JBRAKUHTIQDKKT-KRWDZBQOSA-N 2 0 275.440 2.158 10 0 CEAERP C[C@H]([NH2+]CCCC[NH3+])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551141 186303614 /nfs/dbraw/zinc/30/36/14/186303614.db2.gz IYZFYEHAFCSLQA-UONOGXRCSA-N 2 0 299.459 2.351 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@H](C)C[NH+]1CCCC1 ZINC000110629803 186307166 /nfs/dbraw/zinc/30/71/66/186307166.db2.gz NMFLLFYEWBBFBX-SNVBAGLBSA-N 2 0 292.358 2.423 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CCCC[NH+](C)C ZINC000110630036 186307584 /nfs/dbraw/zinc/30/75/84/186307584.db2.gz HXVQXOGELCWKBU-UHFFFAOYSA-N 2 0 280.347 2.108 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110708451 186314111 /nfs/dbraw/zinc/31/41/11/186314111.db2.gz RAMMJOOYNXXTDA-WFASDCNBSA-N 2 0 279.453 2.044 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccc(C)s2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703869 186314180 /nfs/dbraw/zinc/31/41/80/186314180.db2.gz OTXYOQWRARHPHQ-UMVBOHGHSA-N 2 0 281.469 2.471 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2C)C[C@@H]1C ZINC000110708692 186316748 /nfs/dbraw/zinc/31/67/48/186316748.db2.gz NPZNQACJOKCPFD-BBRMVZONSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1nc(N2CC[N@H+](C)C(C)(C)C2)sc1[C@@H](C)[NH3+] ZINC000110758819 186321330 /nfs/dbraw/zinc/32/13/30/186321330.db2.gz CXMMGXZROGRFHK-SECBINFHSA-N 2 0 268.430 2.002 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110747051 186321919 /nfs/dbraw/zinc/32/19/19/186321919.db2.gz KNESKASYTCIJDM-INIZCTEOSA-N 2 0 275.440 2.411 10 0 CEAERP CC[NH2+]Cc1cc(CN2CC[N@H+](C)[C@@H](CC)C2)oc1C ZINC000110754034 186322019 /nfs/dbraw/zinc/32/20/19/186322019.db2.gz FNJCJZRZXNJCNH-HNNXBMFYSA-N 2 0 279.428 2.224 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CCC[NH+](C)C ZINC000111131723 186356062 /nfs/dbraw/zinc/35/60/62/186356062.db2.gz BJNSUSRLBDCNRJ-DLBZAZTESA-N 2 0 293.455 2.357 10 0 CEAERP CC[C@H](C)C[C@](CC)(C[NH3+])N(C)CCC[NH+](C)C ZINC000111133868 186356301 /nfs/dbraw/zinc/35/63/01/186356301.db2.gz GGVMGNGDTXBJNP-LSDHHAIUSA-N 2 0 257.466 2.414 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N(C)CC[NH+](C)C ZINC000111134395 186357618 /nfs/dbraw/zinc/35/76/18/186357618.db2.gz XNVAZCHIEBXKDA-IAGOWNOFSA-N 2 0 275.440 2.145 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CCC[NH+](C)C ZINC000111136211 186357781 /nfs/dbraw/zinc/35/77/81/186357781.db2.gz OGFUVNHSHWSLBP-IAGOWNOFSA-N 2 0 275.440 2.145 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1c(C)cc(C)cc1C ZINC000111134246 186358097 /nfs/dbraw/zinc/35/80/97/186358097.db2.gz YDQMZAXYTBVZKH-MRXNPFEDSA-N 2 0 277.456 2.366 10 0 CEAERP CC[NH2+]C[C@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146631 186358255 /nfs/dbraw/zinc/35/82/55/186358255.db2.gz KVABMGUCRDMASC-QGZVFWFLSA-N 2 0 277.456 2.047 10 0 CEAERP C[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccccc1C ZINC000111146962 186358583 /nfs/dbraw/zinc/35/85/83/186358583.db2.gz SBRPGUUBRCVPIS-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP CN(CCC[NH+](C)C)CC1(C[NH2+]C(C)(C)C)CCOCC1 ZINC000111147698 186359446 /nfs/dbraw/zinc/35/94/46/186359446.db2.gz SQGQNCBRQKIVFL-UHFFFAOYSA-N 2 0 299.503 2.055 10 0 CEAERP C[N@H+](CCC[C@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000111179422 186366228 /nfs/dbraw/zinc/36/62/28/186366228.db2.gz NSVWLFGPOOISOI-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C[C@]1(C[N@H+](CCO)C2CCCCC2)CCCOC1 ZINC000111327415 186398125 /nfs/dbraw/zinc/39/81/25/186398125.db2.gz XEGCGUXQXLOQBC-KRWDZBQOSA-N 2 0 298.471 2.020 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@H+](CCO)C2CCCC2)CCCOC1 ZINC000111327412 186398306 /nfs/dbraw/zinc/39/83/06/186398306.db2.gz XKKQKWUNUDFWIC-QGZVFWFLSA-N 2 0 298.471 2.018 10 0 CEAERP CC[N@H+](CCOC)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111327576 186399213 /nfs/dbraw/zinc/39/92/13/186399213.db2.gz KUCCQKIACFYUNW-MRXNPFEDSA-N 2 0 286.460 2.140 10 0 CEAERP CCC[NH2+][C@H](C)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000111710025 186449615 /nfs/dbraw/zinc/44/96/15/186449615.db2.gz FAFVXSYXEQLWMA-BMFZPTHFSA-N 2 0 268.445 2.390 10 0 CEAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000070576805 363098088 /nfs/dbraw/zinc/09/80/88/363098088.db2.gz SJWLTQUGRVXCIV-CABCVRRESA-N 2 0 295.471 2.275 10 0 CEAERP O[C@H](C[NH2+]CCc1cccc(Cl)c1)C[NH+]1CCCCC1 ZINC000298269716 200378466 /nfs/dbraw/zinc/37/84/66/200378466.db2.gz GFJXISHYSULWGH-MRXNPFEDSA-N 2 0 296.842 2.319 10 0 CEAERP Cc1cccc2c(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)cc[nH+]c12 ZINC000301715305 201156073 /nfs/dbraw/zinc/15/60/73/201156073.db2.gz MPEQNAIMFDYMNF-CVEARBPZSA-N 2 0 283.375 2.062 10 0 CEAERP [NH3+]CCCOC1CCN(c2ccncc2Cl)CC1 ZINC000094272700 364263871 /nfs/dbraw/zinc/26/38/71/364263871.db2.gz KLAVJAVKTKHOFH-UHFFFAOYSA-N 2 0 269.776 2.069 10 0 CEAERP CC[N@@H+]1CCC[C@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075888 364772324 /nfs/dbraw/zinc/77/23/24/364772324.db2.gz WAXKPEZZMGNLPC-AWEZNQCLSA-N 2 0 289.427 2.363 10 0 CEAERP CCC[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161598091 367099549 /nfs/dbraw/zinc/09/95/49/367099549.db2.gz JZWIYOMICRNMCW-INIZCTEOSA-N 2 0 297.487 2.345 10 0 CEAERP C[C@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CCCC[NH2+]1 ZINC000262110953 291434578 /nfs/dbraw/zinc/43/45/78/291434578.db2.gz WJUCQGVUHPGBIY-OAHLLOKOSA-N 2 0 272.352 2.184 10 0 CEAERP COCc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000231454979 370479703 /nfs/dbraw/zinc/47/97/03/370479703.db2.gz JVKMMFLWORLPDC-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP Cc1cccc([C@H]2CCCN2Cc2noc(CN)n2)c1 ZINC000261605776 371675450 /nfs/dbraw/zinc/67/54/50/371675450.db2.gz BDBYDALMICGVIM-CYBMUJFWSA-N 2 0 272.352 2.174 10 0 CEAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261611836 371677600 /nfs/dbraw/zinc/67/76/00/371677600.db2.gz DZFJEIFTQUXWJJ-KKUMJFAQSA-N 2 0 290.407 2.133 10 0 CEAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261705477 371707295 /nfs/dbraw/zinc/70/72/95/371707295.db2.gz CXCABVWRVHHJQO-WBVHZDCISA-N 3 0 288.439 2.123 10 0 CEAERP Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261637076 371686520 /nfs/dbraw/zinc/68/65/20/371686520.db2.gz WPGWRDRIHJCUAG-BPUTZDHNSA-N 2 0 260.381 2.043 10 0 CEAERP O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](CC2CC[NH2+]CC2)C1 ZINC000262025071 371803269 /nfs/dbraw/zinc/80/32/69/371803269.db2.gz WOCWNZYLNNRQDS-BBRMVZONSA-N 2 0 296.361 2.072 10 0 CEAERP C[C@H](N[C@H](C[NH+](C)C)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000643457926 373128239 /nfs/dbraw/zinc/12/82/39/373128239.db2.gz AZQZZHZBVGXMCG-BHYGNILZSA-N 2 0 275.440 2.267 10 0 CEAERP C[C@@H]1[C@H](N2CC[C@H]([NH3+])[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000307209527 376560915 /nfs/dbraw/zinc/56/09/15/376560915.db2.gz KGLKETYHLXVLFU-XYVMCAHJSA-N 2 0 287.451 2.319 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000093070171 184645864 /nfs/dbraw/zinc/64/58/64/184645864.db2.gz JNIANYWNOTVNEP-JKSUJKDBSA-N 2 0 269.477 2.283 10 0 CEAERP CCC[NH2+][C@]1(C(N)=O)CCC[C@@H]1CC[N@H+](C)CC1CCC1 ZINC000093593221 184694043 /nfs/dbraw/zinc/69/40/43/184694043.db2.gz KYKCGPPACASMQV-NVXWUHKLSA-N 2 0 295.471 2.132 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000094458525 184804477 /nfs/dbraw/zinc/80/44/77/184804477.db2.gz CYEQBNSAKPTXCH-YVSFHVDLSA-N 2 0 279.472 2.453 10 0 CEAERP [NH3+]C1CCC([NH2+]CCCN2CCc3ccccc32)CC1 ZINC000094075632 184754061 /nfs/dbraw/zinc/75/40/61/184754061.db2.gz FGJLIZVPOPBJOO-UHFFFAOYSA-N 2 0 273.424 2.299 10 0 CEAERP CC[NH2+][C@@H]1[C@H](N(C)CCC[NH+](C)C)CCCC1(C)C ZINC000094275769 184774700 /nfs/dbraw/zinc/77/47/00/184774700.db2.gz UIAQPEQTNFUHMT-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095091405 184940219 /nfs/dbraw/zinc/94/02/19/184940219.db2.gz YCMCVQFNIYBHST-QGZVFWFLSA-N 2 0 276.424 2.259 10 0 CEAERP NC(=[NH2+])CC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000088258145 135053635 /nfs/dbraw/zinc/05/36/35/135053635.db2.gz SQHFXKBIEFMEHK-UHFFFAOYSA-N 2 0 290.386 2.054 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000089482837 135059258 /nfs/dbraw/zinc/05/92/58/135059258.db2.gz KPUAGKGHWWZXQR-CABCVRRESA-N 2 0 291.414 2.323 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3C=C[C@@H]([NH3+])C3)CC2)c1C ZINC000092208953 135076214 /nfs/dbraw/zinc/07/62/14/135076214.db2.gz LQQSPNNLLYJKKY-DLBZAZTESA-N 2 0 285.435 2.329 10 0 CEAERP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000325093528 394550568 /nfs/dbraw/zinc/55/05/68/394550568.db2.gz NEERJCOQEQPTEM-HZPDHXFCSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422816273 394806971 /nfs/dbraw/zinc/80/69/71/394806971.db2.gz DWUYUBZBMYJNRZ-JMJZKYOTSA-N 2 0 250.308 2.305 10 0 CEAERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415091317 394885640 /nfs/dbraw/zinc/88/56/40/394885640.db2.gz YWXGIWJAKZCZAS-ZYHUDNBSSA-N 2 0 268.788 2.436 10 0 CEAERP CO[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189697 395162279 /nfs/dbraw/zinc/16/22/79/395162279.db2.gz IHIAWLZKSJYLFI-HZPDHXFCSA-N 2 0 262.397 2.448 10 0 CEAERP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1OCC ZINC000398314857 395233594 /nfs/dbraw/zinc/23/35/94/395233594.db2.gz BXNLRIFTVPVOHW-CQSZACIVSA-N 2 0 278.396 2.183 10 0 CEAERP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000124259988 287101175 /nfs/dbraw/zinc/10/11/75/287101175.db2.gz OVRYNKHTZIVBCE-CVEARBPZSA-N 2 0 268.445 2.488 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)cc2)CC1 ZINC000020179656 171044280 /nfs/dbraw/zinc/04/42/80/171044280.db2.gz RXVZHTJYIWHISY-OAHLLOKOSA-N 2 0 281.831 2.367 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000022152970 171360004 /nfs/dbraw/zinc/36/00/04/171360004.db2.gz UWFADYAADYEEQP-CYBMUJFWSA-N 2 0 275.396 2.348 10 0 CEAERP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCCCCC2)c1 ZINC000022154834 171361719 /nfs/dbraw/zinc/36/17/19/171361719.db2.gz LHRZZAOGWVJEAL-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP Cc1ccccc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022173626 171369460 /nfs/dbraw/zinc/36/94/60/171369460.db2.gz IRBPUQVKGFXFAN-MRXNPFEDSA-N 2 0 261.413 2.021 10 0 CEAERP CC[NH+]1CCN([C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])CC1 ZINC000022566638 171392345 /nfs/dbraw/zinc/39/23/45/171392345.db2.gz NSVWSRXNIWBFJN-OKZBNKHCSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H](C)C[N@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037172395 173005399 /nfs/dbraw/zinc/00/53/99/173005399.db2.gz WTXSLOWJTNGILO-WFASDCNBSA-N 2 0 250.386 2.157 10 0 CEAERP CC[N@H+](CCOc1ccc(C)cc1)C1CC[NH2+]CC1 ZINC000037538497 173258388 /nfs/dbraw/zinc/25/83/88/173258388.db2.gz RQLXXYRHHCXCRY-UHFFFAOYSA-N 2 0 262.397 2.448 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCOC2)CC1 ZINC000037738560 173658616 /nfs/dbraw/zinc/65/86/16/173658616.db2.gz ZGWJKVZQYDQEEO-ZIAGYGMSSA-N 2 0 254.418 2.123 10 0 CEAERP Cc1cc(C)c(C(N)=S)c(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000040510006 174304081 /nfs/dbraw/zinc/30/40/81/174304081.db2.gz HQSITSDHRODWTD-UHFFFAOYSA-N 2 0 294.468 2.332 10 0 CEAERP CCOC1CC[NH+](CCOc2ccccc2C[NH3+])CC1 ZINC000040678477 174374729 /nfs/dbraw/zinc/37/47/29/174374729.db2.gz FRMRSGJJPUNZHH-UHFFFAOYSA-N 2 0 278.396 2.025 10 0 CEAERP C([C@H]1CCCC[NH2+]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040694424 174377741 /nfs/dbraw/zinc/37/77/41/174377741.db2.gz BEKLIKYMCAUNLN-OAHLLOKOSA-N 2 0 265.445 2.079 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1cnn(-c2ccccc2)c1 ZINC000040749298 174393911 /nfs/dbraw/zinc/39/39/11/174393911.db2.gz SZCJASVHBUGOFI-ZXFUBFMLSA-N 2 0 282.391 2.326 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccccc1 ZINC000040750001 174395134 /nfs/dbraw/zinc/39/51/34/174395134.db2.gz MXAWOMCDZWLFHX-GOOCMWNKSA-N 2 0 260.381 2.410 10 0 CEAERP COc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CCC([NH+](C)C)CC1 ZINC000043097593 174966136 /nfs/dbraw/zinc/96/61/36/174966136.db2.gz JJQDQUZBQBRHDV-CXAGYDPISA-N 2 0 291.439 2.110 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335946 175012147 /nfs/dbraw/zinc/01/21/47/175012147.db2.gz PPZNCLRGAZBDOL-GDBMZVCRSA-N 2 0 279.428 2.332 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[NH+](C3CC3)CC2)c1 ZINC000043394398 175034630 /nfs/dbraw/zinc/03/46/30/175034630.db2.gz XAHNCAKYRSJDGI-KRWDZBQOSA-N 2 0 273.424 2.083 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810673 175109328 /nfs/dbraw/zinc/10/93/28/175109328.db2.gz DQCOFEPZSZHUID-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810933 175110017 /nfs/dbraw/zinc/11/00/17/175110017.db2.gz DMRQSNJSDUFAGK-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](CC)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810970 175110282 /nfs/dbraw/zinc/11/02/82/175110282.db2.gz VAVNTMFCEHGCRW-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](CC)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810976 175110304 /nfs/dbraw/zinc/11/03/04/175110304.db2.gz VAVNTMFCEHGCRW-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043810796 175110456 /nfs/dbraw/zinc/11/04/56/175110456.db2.gz NIACUGBETPRNNY-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP C[NH2+][C@H](CN(C)C1CC[NH+](C)CC1)c1ccc(C)cc1 ZINC000043815175 175111950 /nfs/dbraw/zinc/11/19/50/175111950.db2.gz RSNRGUQUUQYXKI-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000043818500 175112993 /nfs/dbraw/zinc/11/29/93/175112993.db2.gz AGKWGAYSWDSZDS-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818568 175113867 /nfs/dbraw/zinc/11/38/67/175113867.db2.gz APBRFWDMSNIVBF-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818528 175113919 /nfs/dbraw/zinc/11/39/19/175113919.db2.gz DLAXFWGAKYGDHE-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763821 175247721 /nfs/dbraw/zinc/24/77/21/175247721.db2.gz CHDJVJDPUVKJKC-OAHLLOKOSA-N 2 0 297.487 2.378 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763820 175247827 /nfs/dbraw/zinc/24/78/27/175247827.db2.gz CHDJVJDPUVKJKC-HNNXBMFYSA-N 2 0 297.487 2.378 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044804896 175256614 /nfs/dbraw/zinc/25/66/14/175256614.db2.gz QEXIPHWJOAWSRF-UHFFFAOYSA-N 2 0 295.471 2.086 10 0 CEAERP C[C@H](CNC(=O)C1(C[NH3+])CCCCCC1)[NH+]1CCCCC1 ZINC000044995377 175287204 /nfs/dbraw/zinc/28/72/04/175287204.db2.gz BJDPTQXHOUNRDI-OAHLLOKOSA-N 2 0 295.471 2.276 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000045113977 175311125 /nfs/dbraw/zinc/31/11/25/175311125.db2.gz CQHJEGSYLSVBRN-STQMWFEESA-N 2 0 292.427 2.429 10 0 CEAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c1C ZINC000045171423 175320820 /nfs/dbraw/zinc/32/08/20/175320820.db2.gz HDNZNXUBUOVSEB-SMDDNHRTSA-N 2 0 264.417 2.122 10 0 CEAERP CCCC[N@H+](CC)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045370642 175364464 /nfs/dbraw/zinc/36/44/64/175364464.db2.gz KTWMXUFYDBQYLJ-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCCC[N@H+](CC)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045370511 175364516 /nfs/dbraw/zinc/36/45/16/175364516.db2.gz XHCAOAAMARLXGV-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CCC[NH+](CCC)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045378504 175367609 /nfs/dbraw/zinc/36/76/09/175367609.db2.gz IHGGIXZOGGTIQL-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)[C@@H](C)CC ZINC000045385438 175372102 /nfs/dbraw/zinc/37/21/02/175372102.db2.gz OYKUKIJPAZGYRD-JSGCOSHPSA-N 2 0 258.406 2.168 10 0 CEAERP CCCCC[N@H+](C)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045387929 175373654 /nfs/dbraw/zinc/37/36/54/175373654.db2.gz JWOJGXGOFCEFHB-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391640 175374326 /nfs/dbraw/zinc/37/43/26/175374326.db2.gz UHNJGQXNZLAZFQ-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C(CC)CC)C(N)=O ZINC000045391637 175374544 /nfs/dbraw/zinc/37/45/44/175374544.db2.gz UHNJGQXNZLAZFQ-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](CC)C1CCCC1 ZINC000045390578 175375037 /nfs/dbraw/zinc/37/50/37/175375037.db2.gz CQNMHRRNEJVGPG-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C(C)C ZINC000045392096 175375545 /nfs/dbraw/zinc/37/55/45/175375545.db2.gz FKWIVIALSYNITN-GXTWGEPZSA-N 2 0 258.406 2.023 10 0 CEAERP CCC[C@@H]1C[C@@](C[NH3+])(N2CC[C@H]([NH+](CC)CC)C2)CCO1 ZINC000070366300 175896351 /nfs/dbraw/zinc/89/63/51/175896351.db2.gz QULKFYPHZQQCNM-BBWFWOEESA-N 2 0 297.487 2.079 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036173 176025618 /nfs/dbraw/zinc/02/56/18/176025618.db2.gz QDDLLCNVCMLYPK-HNNXBMFYSA-N 2 0 283.460 2.094 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000071162228 176046157 /nfs/dbraw/zinc/04/61/57/176046157.db2.gz FOTZLLXPPYRMDP-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071187914 176061878 /nfs/dbraw/zinc/06/18/78/176061878.db2.gz AHKUXAKTXWDQHC-UMVBOHGHSA-N 2 0 281.469 2.328 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000071188731 176063636 /nfs/dbraw/zinc/06/36/36/176063636.db2.gz BFMZQFBQSASDJG-OLMNPRSZSA-N 2 0 287.451 2.275 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)ccn1 ZINC000071191639 176069759 /nfs/dbraw/zinc/06/97/59/176069759.db2.gz GQWVWZWMWROVTN-HNNXBMFYSA-N 2 0 290.455 2.215 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191321 176069835 /nfs/dbraw/zinc/06/98/35/176069835.db2.gz INVKYCJNFPLHOU-VQHPVUNQSA-N 2 0 281.488 2.284 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191932 176071346 /nfs/dbraw/zinc/07/13/46/176071346.db2.gz QUKRPGLLFYFRRR-CQSZACIVSA-N 2 0 279.428 2.161 10 0 CEAERP CC(C)[NH2+]Cc1nc(CN(C)C[C@@H]2CC[N@H+](C)C2)cs1 ZINC000071192014 176072188 /nfs/dbraw/zinc/07/21/88/176072188.db2.gz YSYCMTWHYYAUEO-CYBMUJFWSA-N 2 0 296.484 2.025 10 0 CEAERP CC1CCC([NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071192404 176073921 /nfs/dbraw/zinc/07/39/21/176073921.db2.gz IGQAGRLZQDHMCH-HWOWSKLDSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[NH+](CCN1CCC[C@H]([NH2+]C2CC2)C1)C(C)C ZINC000071197778 176076857 /nfs/dbraw/zinc/07/68/57/176076857.db2.gz VMBQMNXRBJTJFB-INIZCTEOSA-N 2 0 267.461 2.322 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]([NH2+]C)C1 ZINC000071198302 176077120 /nfs/dbraw/zinc/07/71/20/176077120.db2.gz NLFJTNCILWHZFK-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC(CC)[N@H+](CCO)Cc1ccc(F)cc1C[NH3+] ZINC000071263468 176096582 /nfs/dbraw/zinc/09/65/82/176096582.db2.gz PYLIEHFPMFTCJF-UHFFFAOYSA-N 2 0 268.376 2.267 10 0 CEAERP CC(C)C[NH2+]CCCCCC[NH+]1CCN(C)CC1 ZINC000071287034 176110019 /nfs/dbraw/zinc/11/00/19/176110019.db2.gz SZCVWGGICLESCU-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP COCCC[N@H+](C)CCC[C@@H]([NH3+])c1ccccc1 ZINC000071402084 176153893 /nfs/dbraw/zinc/15/38/93/176153893.db2.gz MBEUSHVJZMJMJA-OAHLLOKOSA-N 2 0 250.386 2.435 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000078005564 177316784 /nfs/dbraw/zinc/31/67/84/177316784.db2.gz KDUIFNBUBDQXBF-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000079212073 177447671 /nfs/dbraw/zinc/44/76/71/177447671.db2.gz BCNKANIYDUGNQM-GJZGRUSLSA-N 2 0 285.476 2.234 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCC([NH+](C)C)CC1 ZINC000079622195 177528195 /nfs/dbraw/zinc/52/81/95/177528195.db2.gz IJPDNXQQESHBOE-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H]2CC(C)(C)CC[C@@H]2O)CC1 ZINC000079658325 177532055 /nfs/dbraw/zinc/53/20/55/177532055.db2.gz DQXMMAXWTDQANX-GJZGRUSLSA-N 2 0 268.445 2.200 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390569893 262220081 /nfs/dbraw/zinc/22/00/81/262220081.db2.gz BHNNANTXYYBERH-ZBFHGGJFSA-N 2 0 262.397 2.323 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400331544 278348702 /nfs/dbraw/zinc/34/87/02/278348702.db2.gz BZYXDPXNTBCDDZ-CZUORRHYSA-N 2 0 269.392 2.365 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@@H]1CC[NH2+]C1 ZINC000400337935 278348820 /nfs/dbraw/zinc/34/88/20/278348820.db2.gz FUNRAODCRWODHV-DGCLKSJQSA-N 2 0 252.789 2.470 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(C)c1 ZINC000234696995 280220282 /nfs/dbraw/zinc/22/02/82/280220282.db2.gz NIOXBWIGJULNLC-HIFRSBDPSA-N 2 0 250.386 2.400 10 0 CEAERP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCO[C@@H](CN(C)C)C1 ZINC000248482426 280349823 /nfs/dbraw/zinc/34/98/23/280349823.db2.gz IWPBASLFPOHIFD-ILXRZTDVSA-N 2 0 254.418 2.075 10 0 CEAERP CN(C)C1(C[NH2+]C2CCC([NH3+])CC2)CCCCC1 ZINC000094074651 289058147 /nfs/dbraw/zinc/05/81/47/289058147.db2.gz PYVJEGWCPZRHDP-UHFFFAOYSA-N 2 0 253.434 2.110 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670484 518762995 /nfs/dbraw/zinc/76/29/95/518762995.db2.gz UYALFMCSUZCYPT-HUUCEWRRSA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)C[NH2+]CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055075980 519743274 /nfs/dbraw/zinc/74/32/74/519743274.db2.gz PMJSVXGQZRPNGG-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC(C)C[NH2+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000052484200 519743962 /nfs/dbraw/zinc/74/39/62/519743962.db2.gz JWOUZOZIZLXKPG-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)OCC[NH+]1CCCCC1 ZINC000052670629 519794748 /nfs/dbraw/zinc/79/47/48/519794748.db2.gz YVHGKPMGXGMJCP-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP CCCC1CC[NH+](CCCC[C@](C)([NH2+]C)C(N)=O)CC1 ZINC000050905932 519900653 /nfs/dbraw/zinc/90/06/53/519900653.db2.gz MKYXDXJDRUYIPB-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH2+]Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)on1 ZINC000052420674 519991233 /nfs/dbraw/zinc/99/12/33/519991233.db2.gz OBYVVNIZZCULTQ-RYUDHWBXSA-N 2 0 251.374 2.262 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@H](C)COC)cc1C ZINC000052512032 520028086 /nfs/dbraw/zinc/02/80/86/520028086.db2.gz DEXXETLVJCAYRU-GFCCVEGCSA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653658 520115891 /nfs/dbraw/zinc/11/58/91/520115891.db2.gz IACGPFGETOZFRR-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1CN1CC[NH+](C)CC1 ZINC000054559529 520122678 /nfs/dbraw/zinc/12/26/78/520122678.db2.gz FBIGLOXXRWCIEX-GVDBMIGSSA-N 2 0 281.488 2.284 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccc(CC)cc1 ZINC000062740935 520306921 /nfs/dbraw/zinc/30/69/21/520306921.db2.gz JXUSWHMVESWAPJ-MRXNPFEDSA-N 2 0 264.413 2.435 10 0 CEAERP CCCCOCC[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602842 520761343 /nfs/dbraw/zinc/76/13/43/520761343.db2.gz RPPHQGJHLWCBLT-GOOCMWNKSA-N 2 0 254.418 2.408 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C1(CC)CC[NH2+]CC1)[NH+](C)C ZINC000062849737 521603073 /nfs/dbraw/zinc/60/30/73/521603073.db2.gz YJKQCSZNBROCPM-OAHLLOKOSA-N 2 0 297.487 2.249 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1csc(C[NH2+]CC)n1 ZINC000052544090 521657862 /nfs/dbraw/zinc/65/78/62/521657862.db2.gz UQBFCIZYHGGHMD-UHFFFAOYSA-N 2 0 284.473 2.026 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)oc1C ZINC000052453183 522103802 /nfs/dbraw/zinc/10/38/02/522103802.db2.gz QRMSJOWBUPQUCW-GFCCVEGCSA-N 2 0 254.399 2.245 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000055083497 522118894 /nfs/dbraw/zinc/11/88/94/522118894.db2.gz QYFWFNSZEJONQJ-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400529333 533845600 /nfs/dbraw/zinc/84/56/00/533845600.db2.gz RDIKHXLMCOGRBN-DOTOQJQBSA-N 2 0 275.440 2.096 10 0 CEAERP CC(C)[NH+](CCNC(=O)[C@H]1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000055146218 519647692 /nfs/dbraw/zinc/64/76/92/519647692.db2.gz NKNNYWFFMOMCLV-HOTGVXAUSA-N 2 0 297.487 2.377 10 0 CEAERP CC(C)[NH+]1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022905 519683341 /nfs/dbraw/zinc/68/33/41/519683341.db2.gz PXLRDPFZPUQETG-OAHLLOKOSA-N 2 0 274.412 2.080 10 0 CEAERP CC(C)[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069147055 519683812 /nfs/dbraw/zinc/68/38/12/519683812.db2.gz DBBKEBOZIPTYBI-UHFFFAOYSA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@@](C)([NH3+])c1ccccc1 ZINC000052883593 519716518 /nfs/dbraw/zinc/71/65/18/519716518.db2.gz USPWUXWQYJIZBD-QGZVFWFLSA-N 2 0 277.456 2.380 10 0 CEAERP CC(C)[NH2+]C[C@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417085 519724802 /nfs/dbraw/zinc/72/48/02/519724802.db2.gz JXTMFLYCHPWNBI-INIZCTEOSA-N 2 0 275.440 2.191 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379030 519725597 /nfs/dbraw/zinc/72/55/97/519725597.db2.gz AKGQYFKSWOLVTN-ZNMIVQPWSA-N 2 0 254.418 2.406 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055076070 519726003 /nfs/dbraw/zinc/72/60/03/519726003.db2.gz YCIRKOFBMDTNMQ-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)C[C@H]2CCCO2)CCOCC1 ZINC000052182999 519742740 /nfs/dbraw/zinc/74/27/40/519742740.db2.gz BAQISMNSMTVXHX-MRXNPFEDSA-N 2 0 298.471 2.140 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000052424318 519743540 /nfs/dbraw/zinc/74/35/40/519743540.db2.gz XNKLUYOPLUKSKH-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477748 519743691 /nfs/dbraw/zinc/74/36/91/519743691.db2.gz ZBQHDHFDPDEPEE-HNNXBMFYSA-N 3 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[NH+]2CCCCCCC2)nn1 ZINC000052424990 519747941 /nfs/dbraw/zinc/74/79/41/519747941.db2.gz MGQLXAYNGASMOS-UHFFFAOYSA-N 2 0 293.459 2.290 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049560738 519775431 /nfs/dbraw/zinc/77/54/31/519775431.db2.gz LHQCDBRJRVAVGA-HNNXBMFYSA-N 2 0 292.427 2.243 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052206053 519775667 /nfs/dbraw/zinc/77/56/67/519775667.db2.gz PVXWKZBFROIWRC-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NCCC[NH+]1CCCC1 ZINC000049555569 519775737 /nfs/dbraw/zinc/77/57/37/519775737.db2.gz SICQDTUEZRVOPU-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643351 519825778 /nfs/dbraw/zinc/82/57/78/519825778.db2.gz MXSZSACDEOADIC-ZJIFWQFVSA-N 2 0 267.461 2.164 10 0 CEAERP CCC[NH+]1CCN([C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554493 519859832 /nfs/dbraw/zinc/85/98/32/519859832.db2.gz HQELBNPWCPPEEM-OWCLPIDISA-N 2 0 267.461 2.166 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOCC ZINC000054626699 519908022 /nfs/dbraw/zinc/90/80/22/519908022.db2.gz SYUFOPKFFFQNRC-GOOCMWNKSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CN2CCC1CC2 ZINC000054603253 519908427 /nfs/dbraw/zinc/90/84/27/519908427.db2.gz ZUUYEVBELLXUPS-NPYXIHBLSA-N 2 0 277.456 2.076 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](C)C[C@H]2CCCCO2)CCOCC1 ZINC000052182384 519909696 /nfs/dbraw/zinc/90/96/96/519909696.db2.gz MCCLVCMJIAJXDA-MRXNPFEDSA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]CC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515492 519919301 /nfs/dbraw/zinc/91/93/01/519919301.db2.gz MHBIKDSGKUNNMC-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H](OCC[NH+](C)C)c1ccccc1 ZINC000052669930 519921943 /nfs/dbraw/zinc/92/19/43/519921943.db2.gz DSXMJJDGLKMNRK-OAHLLOKOSA-N 2 0 250.386 2.306 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000052515223 519931241 /nfs/dbraw/zinc/93/12/41/519931241.db2.gz DGWBAIXGWMTCMW-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H](CC)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571587 519931813 /nfs/dbraw/zinc/93/18/13/519931813.db2.gz DEJJRCWGLGZJTK-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061654318 519954827 /nfs/dbraw/zinc/95/48/27/519954827.db2.gz BKMPQXKOMXPGRF-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](CC)CCOC ZINC000052542692 519972976 /nfs/dbraw/zinc/97/29/76/519972976.db2.gz GBSBOLMVENDHOU-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]C[C@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010857 519976388 /nfs/dbraw/zinc/97/63/88/519976388.db2.gz WDEGJLATPISKDA-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)COC)c(C)o1 ZINC000052572446 519988643 /nfs/dbraw/zinc/98/86/43/519988643.db2.gz UYWSSUCZBYEBMS-CYBMUJFWSA-N 2 0 298.427 2.181 10 0 CEAERP CC[NH2+]Cc1ccoc1COCC[C@@H]1CCC[N@@H+]1C ZINC000052673140 520014325 /nfs/dbraw/zinc/01/43/25/520014325.db2.gz PRXZSGMCFUOYIQ-AWEZNQCLSA-N 2 0 266.385 2.390 10 0 CEAERP CC[NH2+]Cc1coc(COCC[NH+](CC)CC)c1 ZINC000052671921 520018741 /nfs/dbraw/zinc/01/87/41/520018741.db2.gz BHHLZNYBZJYYES-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]Cc1oc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000052515511 520028504 /nfs/dbraw/zinc/02/85/04/520028504.db2.gz JEOYWLLBZDOGEH-UHFFFAOYSA-N 3 0 293.455 2.471 10 0 CEAERP CC[NH2+][C@@H](C)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055078745 520072490 /nfs/dbraw/zinc/07/24/90/520072490.db2.gz JVSNFUSXQRAIOE-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061643696 520096777 /nfs/dbraw/zinc/09/67/77/520096777.db2.gz MWKGKMLGPVXVPQ-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+][C@H](CCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000053932145 520190261 /nfs/dbraw/zinc/19/02/61/520190261.db2.gz XABZIXBWGBUJKI-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000054554794 520219916 /nfs/dbraw/zinc/21/99/16/520219916.db2.gz NUUAFNNKODKQGB-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC1(C)CC[NH+](CC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000061818769 520377008 /nfs/dbraw/zinc/37/70/08/520377008.db2.gz LMHPHDJFPLVAHC-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000062740958 520515820 /nfs/dbraw/zinc/51/58/20/520515820.db2.gz CQEGHMIFFXKQON-ZNMIVQPWSA-N 2 0 254.418 2.252 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053012705 520610871 /nfs/dbraw/zinc/61/08/71/520610871.db2.gz WCWRCIJXCMEXNZ-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@@H](C)[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064425 520668085 /nfs/dbraw/zinc/66/80/85/520668085.db2.gz RADMAKODUYFGFX-QLFBSQMISA-N 2 0 255.450 2.166 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C[NH3+])c2ccsc2)C1 ZINC000062977079 520849119 /nfs/dbraw/zinc/84/91/19/520849119.db2.gz UIMWJALMWBUSNZ-KGLIPLIRSA-N 2 0 267.442 2.164 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC[NH2+]CCC(C)C)C1 ZINC000062974252 520872811 /nfs/dbraw/zinc/87/28/11/520872811.db2.gz LFVHHVJRMKHGOF-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(C)(C)[N@H+](C)CCC[C@](C)(NC)C(=O)OC ZINC000069443353 521300080 /nfs/dbraw/zinc/30/00/80/521300080.db2.gz YOFMTQGQMCEGJU-AWEZNQCLSA-N 2 0 258.406 2.038 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000052543973 521560356 /nfs/dbraw/zinc/56/03/56/521560356.db2.gz LRKQNBLDELTPHC-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052543927 521567467 /nfs/dbraw/zinc/56/74/67/521567467.db2.gz SSQFNMSXQITGMA-MRXNPFEDSA-N 2 0 269.477 2.425 10 0 CEAERP CCC(CC)[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+](C)C ZINC000050950257 521617578 /nfs/dbraw/zinc/61/75/78/521617578.db2.gz ACURGEWLGDNXCI-INIZCTEOSA-N 2 0 297.487 2.249 10 0 CEAERP CCC[NH+](CCC)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052416793 521646557 /nfs/dbraw/zinc/64/65/57/521646557.db2.gz BZGSAPPCCOVOAT-UHFFFAOYSA-N 2 0 281.448 2.288 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H]1CCCCO1 ZINC000054602363 521954431 /nfs/dbraw/zinc/95/44/31/521954431.db2.gz SFNOZZMVGWVENX-DKUMPPAJSA-N 2 0 252.402 2.160 10 0 CEAERP C[NH2+]C[C@@](C)(CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1 ZINC000061653471 522064194 /nfs/dbraw/zinc/06/41/94/522064194.db2.gz BLGMWLZWWLBEJV-MSOLQXFVSA-N 2 0 289.467 2.190 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000052571683 522117989 /nfs/dbraw/zinc/11/79/89/522117989.db2.gz UCVPTEXTGCNMQL-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000055073794 522127313 /nfs/dbraw/zinc/12/73/13/522127313.db2.gz DZVZCOKZHGRBDV-OAHLLOKOSA-N 2 0 275.440 2.322 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000052507230 522127518 /nfs/dbraw/zinc/12/75/18/522127518.db2.gz WKRBVUOKGQRQGR-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP C[NH2+]Cc1occc1CN1CC[NH+](C2CCCC2)CC1 ZINC000052573500 522165388 /nfs/dbraw/zinc/16/53/88/522165388.db2.gz CQUODCRHMCQQKT-UHFFFAOYSA-N 2 0 277.412 2.059 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642247 522344846 /nfs/dbraw/zinc/34/48/46/522344846.db2.gz DMXDTUPIVQHWNL-IJEWVQPXSA-N 2 0 279.428 2.392 10 0 CEAERP CCc1[nH+]c2cc(N)ccc2n1[C@@H]1C[NH+]2CCC1CC2 ZINC000052842684 522485691 /nfs/dbraw/zinc/48/56/91/522485691.db2.gz IZFJXBUYNZPIAO-OAHLLOKOSA-N 2 0 270.380 2.448 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055077218 522651215 /nfs/dbraw/zinc/65/12/15/522651215.db2.gz LWCDITSLKIXXMO-CABCVRRESA-N 2 0 269.477 2.412 10 0 CEAERP COCCC[N@H+](CCOC)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054555533 523258185 /nfs/dbraw/zinc/25/81/85/523258185.db2.gz MSBHDFAEJZAOKH-HRCADAONSA-N 2 0 286.460 2.123 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571164 523344164 /nfs/dbraw/zinc/34/41/64/523344164.db2.gz OPRSWQVLAQBXBK-BBRMVZONSA-N 2 0 262.397 2.405 10 0 CEAERP CN([C@@H](CC[NH3+])c1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000055017738 523625100 /nfs/dbraw/zinc/62/51/00/523625100.db2.gz AWDTTZCHJQZMOC-CVEARBPZSA-N 2 0 261.413 2.103 10 0 CEAERP CN(c1nc(C2CC2)c(C[NH3+])s1)[C@H]1CCC[N@H+](C)C1 ZINC000069180126 523664070 /nfs/dbraw/zinc/66/40/70/523664070.db2.gz BRAUHGMLZYAWPZ-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP COCC[N@@H+](Cc1cc(C)c(C[NH3+])o1)CC(C)C ZINC000052508595 523741018 /nfs/dbraw/zinc/74/10/18/523741018.db2.gz JAKZQKIGHNDLRJ-UHFFFAOYSA-N 2 0 254.374 2.151 10 0 CEAERP C[N@@H+]1CCCN(Cc2occc2C[NH2+]C(C)(C)C)CC1 ZINC000052424176 523810035 /nfs/dbraw/zinc/81/00/35/523810035.db2.gz YZOKOVVTRJCDPZ-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP CN1CCC[N@H+](Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052424277 523810096 /nfs/dbraw/zinc/81/00/96/523810096.db2.gz IMKPEOYOOPKXER-UHFFFAOYSA-N 2 0 273.380 2.029 10 0 CEAERP C[N@@H+]1CCC[C@H]1CCOCc1csc(C[NH2+]C2CC2)n1 ZINC000052672789 523847224 /nfs/dbraw/zinc/84/72/24/523847224.db2.gz IXDWIIRRWXWLRF-AWEZNQCLSA-N 2 0 295.452 2.396 10 0 CEAERP CC[C@H](C)C[N@@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000050424205 523880568 /nfs/dbraw/zinc/88/05/68/523880568.db2.gz PZCGROKCGXDOAC-HNNXBMFYSA-N 2 0 255.450 2.169 10 0 CEAERP C[N@@H+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1(C)C ZINC000069182980 523927837 /nfs/dbraw/zinc/92/78/37/523927837.db2.gz UNIGCHOJJSEYCM-UHFFFAOYSA-N 2 0 280.441 2.010 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cccc(C[NH2+]C)c2)CC1 ZINC000055073798 523956820 /nfs/dbraw/zinc/95/68/20/523956820.db2.gz DZVZCOKZHGRBDV-HNNXBMFYSA-N 2 0 275.440 2.322 10 0 CEAERP C[C@H](CNC(=O)CCC1CCC([NH3+])CC1)C[NH+]1CCCC1 ZINC000062073273 524378099 /nfs/dbraw/zinc/37/80/99/524378099.db2.gz PDUREPDUVVVRBH-QQFBHYJXSA-N 2 0 295.471 2.132 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063124154 524497152 /nfs/dbraw/zinc/49/71/52/524497152.db2.gz FIWSGGVFQNDNHU-AWEZNQCLSA-N 3 0 269.477 2.427 10 0 CEAERP Cc1cc(CN(CC[NH+](C)C)CC(C)C)oc1C[NH3+] ZINC000052503345 524667117 /nfs/dbraw/zinc/66/71/17/524667117.db2.gz MMMAAKDYHBJFBT-UHFFFAOYSA-N 2 0 267.417 2.066 10 0 CEAERP Cc1cc(CN2CCC[N@H+](C)CC2)oc1C[NH2+]C(C)C ZINC000052424481 524679930 /nfs/dbraw/zinc/67/99/30/524679930.db2.gz BCILWEJKMHBONQ-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642149 525018694 /nfs/dbraw/zinc/01/86/94/525018694.db2.gz PRMOUYBHCYUCSW-YRGRVCCFSA-N 2 0 267.442 2.162 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061653675 525766084 /nfs/dbraw/zinc/76/60/84/525766084.db2.gz FCKJNTKUPXYKJC-SJORKVTESA-N 2 0 275.440 2.411 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[C@H]([NH+]3CCCC3)C2)cc1C ZINC000062979117 525766718 /nfs/dbraw/zinc/76/67/18/525766718.db2.gz DZWRCZHRRIZCHQ-ROUUACIJSA-N 2 0 287.451 2.473 10 0 CEAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061658043 526825452 /nfs/dbraw/zinc/82/54/52/526825452.db2.gz NAQNYZAPUCGBOO-QWHCGFSZSA-N 2 0 272.396 2.378 10 0 CEAERP [NH3+]Cc1cccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702141 527260701 /nfs/dbraw/zinc/26/07/01/527260701.db2.gz RQHHSHCVTGVSSP-MRXNPFEDSA-N 2 0 283.375 2.194 10 0 CEAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N(C)C(=O)OC(C)(C)C ZINC000310009632 628242102 /nfs/dbraw/zinc/24/21/02/628242102.db2.gz YIJSCALGRVOVFU-RDBSUJKOSA-N 2 0 299.459 2.314 10 0 CEAERP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000262037203 629492957 /nfs/dbraw/zinc/49/29/57/629492957.db2.gz YBEUBNVAKNOLKG-RCCFBDPRSA-N 2 0 288.435 2.284 10 0 CEAERP C[N@H+](C[C@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467020 639547991 /nfs/dbraw/zinc/54/79/91/639547991.db2.gz KKDYUAJYBYXIIV-HUUCEWRRSA-N 2 0 254.418 2.002 10 0 CEAERP [NH3+]C1(CC(=O)N2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000084182760 178817647 /nfs/dbraw/zinc/81/76/47/178817647.db2.gz JIAWXGOOZLFUEY-UHFFFAOYSA-N 2 0 293.455 2.125 10 0 CEAERP C[NH2+][C@@](C)(CO)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000085212630 178976338 /nfs/dbraw/zinc/97/63/38/178976338.db2.gz WJNWLHDUMRXLAY-OAHLLOKOSA-N 2 0 268.445 2.393 10 0 CEAERP CCC1(CC)CC[NH+]([C@H](C)C[C@](C)(O)C[NH3+])CC1 ZINC000085303330 179011104 /nfs/dbraw/zinc/01/11/04/179011104.db2.gz IZSVKRMTHCYPQL-KGLIPLIRSA-N 2 0 256.434 2.377 10 0 CEAERP FC(F)(F)CN(CCC[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000085402962 179052385 /nfs/dbraw/zinc/05/23/85/179052385.db2.gz ASXPZMMMBPDQOB-UHFFFAOYSA-N 2 0 293.377 2.089 10 0 CEAERP CC[NH2+]CCc1ccc(COCCC[NH+](C)C)cc1 ZINC000097810476 185670780 /nfs/dbraw/zinc/67/07/80/185670780.db2.gz BKKTULGEPWJHEN-UHFFFAOYSA-N 2 0 264.413 2.307 10 0 CEAERP CC[N@@H+]1CCC[C@H]1Cn1c(CC(C)C)nc2c1CC[NH2+]C2 ZINC000085568653 179095601 /nfs/dbraw/zinc/09/56/01/179095601.db2.gz WDJHEDDUSHHSTK-AWEZNQCLSA-N 2 0 290.455 2.212 10 0 CEAERP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626726 179106973 /nfs/dbraw/zinc/10/69/73/179106973.db2.gz ONYIYUGTBSCRGM-AAEUAGOBSA-N 2 0 294.361 2.418 10 0 CEAERP CCC[NH+]1CCC(n2c3c(nc2C2CC2)C[NH2+]CC3)CC1 ZINC000085573868 179099700 /nfs/dbraw/zinc/09/97/00/179099700.db2.gz PGBVBZFGEPNJBS-UHFFFAOYSA-N 2 0 288.439 2.453 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609439 179101110 /nfs/dbraw/zinc/10/11/10/179101110.db2.gz ULLRVVFDJUXDNO-KKUMJFAQSA-N 2 0 254.418 2.266 10 0 CEAERP C([C@@H]1CCCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612615 179102379 /nfs/dbraw/zinc/10/23/79/179102379.db2.gz QDJHGJYYOAHMLW-AWEZNQCLSA-N 2 0 252.402 2.164 10 0 CEAERP CC(C)OCC[N@@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623126 179105214 /nfs/dbraw/zinc/10/52/14/179105214.db2.gz NWPBFHVLYGIZLP-CQSZACIVSA-N 2 0 254.418 2.408 10 0 CEAERP Cc1cccc(NCCC[NH2+]Cc2cccnc2)[nH+]1 ZINC000063197187 362760058 /nfs/dbraw/zinc/76/00/58/362760058.db2.gz ZNSWYSMLSYVTSM-UHFFFAOYSA-N 2 0 256.353 2.377 10 0 CEAERP Cc1cc(C[NH2+]CCC[NH3+])ccc1Br ZINC000085706765 179121887 /nfs/dbraw/zinc/12/18/87/179121887.db2.gz SFOSFVLWCBQQDT-UHFFFAOYSA-N 2 0 257.175 2.196 10 0 CEAERP C[C@@H]([NH3+])Cc1c(Cl)cccc1N1CC[N@H+](C)[C@@H](C)C1 ZINC000104278411 136554024 /nfs/dbraw/zinc/55/40/24/136554024.db2.gz ZDKLVRYMKLFPCB-NEPJUHHUSA-N 2 0 281.831 2.370 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+]C(CC)(CC)C2)CC1 ZINC000086144530 179237552 /nfs/dbraw/zinc/23/75/52/179237552.db2.gz MRDNZNNHTILBCO-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086143127 179237580 /nfs/dbraw/zinc/23/75/80/179237580.db2.gz LQTIJYQOZUTXGS-SJORKVTESA-N 2 0 273.424 2.117 10 0 CEAERP CCC[C@@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146745 179240068 /nfs/dbraw/zinc/24/00/68/179240068.db2.gz CBPHLNMJDFMPLA-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086152517 179240560 /nfs/dbraw/zinc/24/05/60/179240560.db2.gz WBWGRBALPNLNLJ-NRSFXHEJSA-N 2 0 293.499 2.425 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086152518 179240694 /nfs/dbraw/zinc/24/06/94/179240694.db2.gz WBWGRBALPNLNLJ-XOYOTBSWSA-N 2 0 293.499 2.425 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086172110 179244244 /nfs/dbraw/zinc/24/42/44/179244244.db2.gz MXMXENWEPUIIRR-CAOSSQGBSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086173648 179244255 /nfs/dbraw/zinc/24/42/55/179244255.db2.gz PWPQJRXFINJFFV-JKSUJKDBSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177612 179246984 /nfs/dbraw/zinc/24/69/84/179246984.db2.gz BTKJIWRUZLLTEP-SJLPKXTDSA-N 2 0 287.451 2.363 10 0 CEAERP C1CC1[N@@H+]1CC[C@@H](N2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086145989 179238815 /nfs/dbraw/zinc/23/88/15/179238815.db2.gz GFYDQGPBTCNKRR-SJORKVTESA-N 2 0 277.456 2.077 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217874 179250037 /nfs/dbraw/zinc/25/00/37/179250037.db2.gz CQURXLGUNUHIAV-GJZGRUSLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1CN([C@@H]2CCC[N@H+](CC)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086225423 179253278 /nfs/dbraw/zinc/25/32/78/179253278.db2.gz FDGQBIACSLYIGE-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086224010 179253947 /nfs/dbraw/zinc/25/39/47/179253947.db2.gz GCKFSOSLVDFSLD-BZUAXINKSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259584 179257776 /nfs/dbraw/zinc/25/77/76/179257776.db2.gz ZZWYFTQCNFYYNX-QGTPRVQTSA-N 2 0 285.435 2.258 10 0 CEAERP C[C@H]([C@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287097 179264162 /nfs/dbraw/zinc/26/41/62/179264162.db2.gz BGLWGTDPGPQTDL-ZIAGYGMSSA-N 2 0 252.402 2.162 10 0 CEAERP C[C@@H]([C@@H]1CCCO1)[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287102 179264460 /nfs/dbraw/zinc/26/44/60/179264460.db2.gz ZJVFJQJVDIADGF-IHRRRGAJSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291440 179265743 /nfs/dbraw/zinc/26/57/43/179265743.db2.gz QSLSKMQMGJRCST-GOEBONIOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291567 179266139 /nfs/dbraw/zinc/26/61/39/179266139.db2.gz WVLJDNWROQIARW-XHSDSOJGSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@]1(C)CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086293010 179266153 /nfs/dbraw/zinc/26/61/53/179266153.db2.gz MDHJMZMKSVDUGJ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291575 179266568 /nfs/dbraw/zinc/26/65/68/179266568.db2.gz LJAKUSNCMFUNRN-HZPDHXFCSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293250 179266817 /nfs/dbraw/zinc/26/68/17/179266817.db2.gz BANULHIHGXLFRZ-UHFFFAOYSA-N 3 0 267.461 2.326 10 0 CEAERP C[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000086467133 179297012 /nfs/dbraw/zinc/29/70/12/179297012.db2.gz FASLWRLKEPSYQY-CVEARBPZSA-N 2 0 287.451 2.333 10 0 CEAERP C[C@@H]1CCC[C@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000086677105 179319431 /nfs/dbraw/zinc/31/94/31/179319431.db2.gz XCGIHNXESYOSDT-GDBMZVCRSA-N 2 0 265.445 2.064 10 0 CEAERP Cc1cccc(OCC[NH2+][C@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818958 179348407 /nfs/dbraw/zinc/34/84/07/179348407.db2.gz QDKPWBSQOKVIKA-HNNXBMFYSA-N 2 0 262.397 2.448 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000086818849 179348424 /nfs/dbraw/zinc/34/84/24/179348424.db2.gz QELOEQMJVUJSAQ-INIZCTEOSA-N 2 0 284.407 2.446 10 0 CEAERP Cc1cccc(CN(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)c1 ZINC000086819346 179348610 /nfs/dbraw/zinc/34/86/10/179348610.db2.gz DBPYICQKTDMFMZ-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP CN(Cc1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819352 179348744 /nfs/dbraw/zinc/34/87/44/179348744.db2.gz SENABHYWPJHOIS-MRXNPFEDSA-N 2 0 279.403 2.071 10 0 CEAERP Cc1cccc(OCC[NH2+][C@@H]2CCC[N@@H+](C)CC2)c1 ZINC000086818957 179348898 /nfs/dbraw/zinc/34/88/98/179348898.db2.gz QDKPWBSQOKVIKA-OAHLLOKOSA-N 2 0 262.397 2.448 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC1 ZINC000086817125 179345413 /nfs/dbraw/zinc/34/54/13/179345413.db2.gz NCHMCHMZLFOUCX-HNNXBMFYSA-N 2 0 290.407 2.074 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CCC[N@H+](C)CC1 ZINC000086818580 179346642 /nfs/dbraw/zinc/34/66/42/179346642.db2.gz RPMMBQBEYBWYOU-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848951 179357871 /nfs/dbraw/zinc/35/78/71/179357871.db2.gz IGWFWNPTDQESBI-QGZVFWFLSA-N 2 0 279.472 2.453 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCCC[NH+]2CCCC2)CC1 ZINC000086836412 179351568 /nfs/dbraw/zinc/35/15/68/179351568.db2.gz BBNQIZGNAOXQRT-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845184 179354990 /nfs/dbraw/zinc/35/49/90/179354990.db2.gz YPNCPZMDDVRMJL-LLVKDONJSA-N 2 0 268.323 2.029 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000086850990 179359671 /nfs/dbraw/zinc/35/96/71/179359671.db2.gz KGNFIDXNVYMSEA-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP CC[N@@H+]1CCC[C@](CO)([NH2+]C2CCCCC2)CC1 ZINC000086867926 179360986 /nfs/dbraw/zinc/36/09/86/179360986.db2.gz RXUUCYSMYPITHE-HNNXBMFYSA-N 2 0 254.418 2.146 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)CC1 ZINC000086890713 179366004 /nfs/dbraw/zinc/36/60/04/179366004.db2.gz ZALAAADOGYBXBH-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920915 179367924 /nfs/dbraw/zinc/36/79/24/179367924.db2.gz IUMIFPZCPYTOBG-LSDHHAIUSA-N 2 0 254.418 2.003 10 0 CEAERP COCC[N@H+](C)[C@@]1(C[NH3+])CCC[C@H](C(C)C)CC1 ZINC000086948470 179368604 /nfs/dbraw/zinc/36/86/04/179368604.db2.gz SZRQJYUIYNYQNP-GJZGRUSLSA-N 2 0 256.434 2.498 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCCC2)C1 ZINC000087017534 179380572 /nfs/dbraw/zinc/38/05/72/179380572.db2.gz QRAFBLMWXYGNJD-HUUCEWRRSA-N 2 0 268.445 2.392 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016888 179380667 /nfs/dbraw/zinc/38/06/67/179380667.db2.gz JNHUNOVWTSWMHJ-CABCVRRESA-N 2 0 268.445 2.392 10 0 CEAERP COc1c(C)c[nH+]c(C[C@@](C)(O)[C@H]2CCC[NH2+]C2)c1C ZINC000087172685 179399126 /nfs/dbraw/zinc/39/91/26/179399126.db2.gz UTCTYFPXZJPZRU-XJKSGUPXSA-N 2 0 278.396 2.000 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000089150251 179725807 /nfs/dbraw/zinc/72/58/07/179725807.db2.gz PRNZXTCZJWLRAY-IACUBPJLSA-N 2 0 278.396 2.482 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000089482614 179801515 /nfs/dbraw/zinc/80/15/15/179801515.db2.gz MUEYBWOAXZYDFR-ZWKOTPCHSA-N 2 0 287.451 2.179 10 0 CEAERP CC(C)C[C@@](C)(O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000090269938 179943915 /nfs/dbraw/zinc/94/39/15/179943915.db2.gz SOIZDZIMXGDQAJ-UKRRQHHQSA-N 2 0 256.434 2.103 10 0 CEAERP CC(C)C[C@@](C)(O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000090269936 179943966 /nfs/dbraw/zinc/94/39/66/179943966.db2.gz SOIZDZIMXGDQAJ-DZGCQCFKSA-N 2 0 256.434 2.103 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)n1cncc1C[NH2+]C1CC1 ZINC000090241526 179938984 /nfs/dbraw/zinc/93/89/84/179938984.db2.gz DCYKGLFXGCUIAJ-AWEZNQCLSA-N 2 0 264.417 2.284 10 0 CEAERP COCc1nc(CNC[C@@H]2CCCC[N@H+](C)C2)cs1 ZINC000623655998 350075838 /nfs/dbraw/zinc/07/58/38/350075838.db2.gz KRCACRSMAJXDKV-LBPRGKRZSA-N 2 0 283.441 2.111 10 0 CEAERP Cc1cc(C)c([C@H](C)[NH+]2CC(N3CC[NH2+]CC3)C2)c(C)c1 ZINC000090308364 179954883 /nfs/dbraw/zinc/95/48/83/179954883.db2.gz YVRNVAYQOSZYSD-INIZCTEOSA-N 2 0 287.451 2.262 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000090566019 180005800 /nfs/dbraw/zinc/00/58/00/180005800.db2.gz BEWSHMPTOUAMMA-SJORKVTESA-N 2 0 274.408 2.059 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](CC(C)C)C1CC1 ZINC000090566541 180005872 /nfs/dbraw/zinc/00/58/72/180005872.db2.gz KKLPARBRTHKVPW-ZFWWWQNUSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567192 180006406 /nfs/dbraw/zinc/00/64/06/180006406.db2.gz CLNFNXBAMHNIKI-UKRRQHHQSA-N 2 0 282.453 2.469 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566663 180006872 /nfs/dbraw/zinc/00/68/72/180006872.db2.gz MSOYEZYYJSNWCO-KBPBESRZSA-N 2 0 254.418 2.313 10 0 CEAERP C[N@H+](CCC[C@@H]1CCCO1)CC[C@@H]1CCCC[NH2+]1 ZINC000090693321 180025446 /nfs/dbraw/zinc/02/54/46/180025446.db2.gz UZMQOVQOQIIPOB-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+]CCc1nc(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000090958413 180074523 /nfs/dbraw/zinc/07/45/23/180074523.db2.gz VFVMGDYYPSABEM-ZIAGYGMSSA-N 2 0 273.405 2.290 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958508 180075033 /nfs/dbraw/zinc/07/50/33/180075033.db2.gz ZYWUFAQSPKOQED-WDEREUQCSA-N 2 0 253.415 2.265 10 0 CEAERP C[C@H](C[NH2+]Cc1ccccc1N)C[NH+]1CCCCC1 ZINC000090962298 180076078 /nfs/dbraw/zinc/07/60/78/180076078.db2.gz DHUIMBROZIZVFE-CQSZACIVSA-N 2 0 261.413 2.480 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090976049 180078775 /nfs/dbraw/zinc/07/87/75/180078775.db2.gz AXYDWAVCCGOMTD-DLBZAZTESA-N 2 0 287.451 2.071 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017522 180087305 /nfs/dbraw/zinc/08/73/05/180087305.db2.gz HKPHPZXKNYNPOB-CYBMUJFWSA-N 2 0 272.396 2.383 10 0 CEAERP CCC[NH2+]Cc1cn(CC[NH+](C)C)c2ncccc12 ZINC000091020238 180087678 /nfs/dbraw/zinc/08/76/78/180087678.db2.gz DYPRDJIJVYLRRR-UHFFFAOYSA-N 2 0 260.385 2.098 10 0 CEAERP CC(C)C[NH2+]Cc1cnn(CC[NH+](C)C)c1C(C)C ZINC000091338550 180136302 /nfs/dbraw/zinc/13/63/02/180136302.db2.gz JJKIEDVRTJPASX-UHFFFAOYSA-N 2 0 266.433 2.314 10 0 CEAERP CC[N@@H+]1CCCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275496 180118751 /nfs/dbraw/zinc/11/87/51/180118751.db2.gz CONOKKMHLFTANR-IUODEOHRSA-N 2 0 262.401 2.340 10 0 CEAERP C(C[C@H]1CSCC[NH2+]1)[NH2+]CC(C1CC1)C1CC1 ZINC000091292371 180123516 /nfs/dbraw/zinc/12/35/16/180123516.db2.gz NLXJEHCEIBAGJA-ZDUSSCGKSA-N 2 0 254.443 2.107 10 0 CEAERP C[C@@H]1CCC[C@H]([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091395737 180146223 /nfs/dbraw/zinc/14/62/23/180146223.db2.gz AMESLNRXPAOOQC-FXUDXRNXSA-N 2 0 267.461 2.166 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000091404601 180147201 /nfs/dbraw/zinc/14/72/01/180147201.db2.gz YENMYFMQRNTPPD-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091427483 180152245 /nfs/dbraw/zinc/15/22/45/180152245.db2.gz WKWABUWXLLQTKZ-WFASDCNBSA-N 2 0 290.411 2.264 10 0 CEAERP CC[NH2+][C@@H](Cc1ccnc(N)c1)[C@@](C)(CC)[NH+]1CCCC1 ZINC000091607168 180203959 /nfs/dbraw/zinc/20/39/59/180203959.db2.gz UNOGKRILMUSESH-DOTOQJQBSA-N 2 0 290.455 2.449 10 0 CEAERP CC(C)(C)[NH2+]CC[C@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091519801 180178105 /nfs/dbraw/zinc/17/81/05/180178105.db2.gz NLJVNCBJOVLMTG-RDJZCZTQSA-N 2 0 276.424 2.403 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1ccnc(N)c1 ZINC000091716753 180232652 /nfs/dbraw/zinc/23/26/52/180232652.db2.gz VHPQSDZHJKEVGF-OAHLLOKOSA-N 2 0 278.444 2.306 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722540 180241119 /nfs/dbraw/zinc/24/11/19/180241119.db2.gz HWZCTRHRJPKFKX-IJLUTSLNSA-N 2 0 293.436 2.276 10 0 CEAERP CCC[N@H+](C[C@H]1CCCOC1)C1CCC([NH3+])CC1 ZINC000091851705 180272639 /nfs/dbraw/zinc/27/26/39/180272639.db2.gz VCLXVIQOJCYGAL-WLYUNCDWSA-N 2 0 254.418 2.395 10 0 CEAERP CCC[N@H+]([C@@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091851804 180272951 /nfs/dbraw/zinc/27/29/51/180272951.db2.gz OLNKWGDWJJBVCO-GRTSSRMGSA-N 2 0 264.417 2.463 10 0 CEAERP C[N@H+](C[C@@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091848044 180271364 /nfs/dbraw/zinc/27/13/64/180271364.db2.gz DRBDOENFMSDSIZ-NRXISQOPSA-N 2 0 260.381 2.192 10 0 CEAERP CC[N@H+](CC[C@@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091850657 180271832 /nfs/dbraw/zinc/27/18/32/180271832.db2.gz JMTISHKWBYMKBB-PCKAHOCUSA-N 3 0 267.461 2.453 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CCn2cccn2)CC1 ZINC000091870041 180276973 /nfs/dbraw/zinc/27/69/73/180276973.db2.gz GMTZNJKIFNDELM-UHFFFAOYSA-N 2 0 264.417 2.126 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000091870030 180277467 /nfs/dbraw/zinc/27/74/67/180277467.db2.gz DQMBQGWTOMOMKZ-CVSAEHQPSA-N 2 0 254.418 2.142 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(C2(O)CC[NH+](CC)CC2)C1 ZINC000091906326 180284058 /nfs/dbraw/zinc/28/40/58/180284058.db2.gz UZVUMUDVECCQDF-GJZGRUSLSA-N 2 0 268.445 2.379 10 0 CEAERP CC[N@@H+]1CCO[C@@H](Cn2ccc(C[NH2+]C(C)(C)C)c2)C1 ZINC000092060238 180314826 /nfs/dbraw/zinc/31/48/26/180314826.db2.gz KBOSHVHRCOUQNO-OAHLLOKOSA-N 2 0 279.428 2.097 10 0 CEAERP CC(C)[NH2+]CCCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003712 180304470 /nfs/dbraw/zinc/30/44/70/180304470.db2.gz KJWKRVPYTTWJOT-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004143 180304732 /nfs/dbraw/zinc/30/47/32/180304732.db2.gz SZGHSSPXKCZINA-CABCVRRESA-N 2 0 293.480 2.315 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003368 180304827 /nfs/dbraw/zinc/30/48/27/180304827.db2.gz TYKSJBBDNVVZCH-CVEARBPZSA-N 2 0 288.439 2.253 10 0 CEAERP C[C@@H]1C[NH+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082189 180319475 /nfs/dbraw/zinc/31/94/75/180319475.db2.gz YGEIYPBZKIZGHA-ZIAGYGMSSA-N 2 0 289.423 2.452 10 0 CEAERP CCC[NH2+][C@](C)(CO)CCCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090277 180322406 /nfs/dbraw/zinc/32/24/06/180322406.db2.gz YHRDUXSZFAWONK-XHSDSOJGSA-N 2 0 270.461 2.495 10 0 CEAERP C[C@H](C[N@H+](C)C[C@@H]1Cc2ccccc2S1)C(N)=[NH2+] ZINC000092262298 180354114 /nfs/dbraw/zinc/35/41/14/180354114.db2.gz URCLPVDCMKINGJ-PWSUYJOCSA-N 2 0 263.410 2.207 10 0 CEAERP C[NH2+][C@H](C)[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298026 180358667 /nfs/dbraw/zinc/35/86/67/180358667.db2.gz MYSUTQPVHLZFSI-QLFBSQMISA-N 2 0 274.408 2.483 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@H]1COc2ccccc21 ZINC000092298829 180358932 /nfs/dbraw/zinc/35/89/32/180358932.db2.gz YBZDAMGAPXHJLY-AWEZNQCLSA-N 2 0 262.397 2.469 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915375 186089201 /nfs/dbraw/zinc/08/92/01/186089201.db2.gz RXHSHWMBFZEDFV-KRWDZBQOSA-N 2 0 276.424 2.430 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092419141 180382438 /nfs/dbraw/zinc/38/24/38/180382438.db2.gz QLVKJZKHJKRQDQ-MRXNPFEDSA-N 2 0 274.412 2.184 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)s1 ZINC000092625402 180417997 /nfs/dbraw/zinc/41/79/97/180417997.db2.gz DJRFGMBDVXZKOO-GXTWGEPZSA-N 2 0 281.469 2.336 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2C[C@@H]1CCC[N@H+](C)C1 ZINC000110629943 186308072 /nfs/dbraw/zinc/30/80/72/186308072.db2.gz UCPFKJSVXOABTO-SNVBAGLBSA-N 2 0 292.358 2.108 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110645660 186309041 /nfs/dbraw/zinc/30/90/41/186309041.db2.gz NIEIIUUVBVBRJP-ZWNOBZJWSA-N 2 0 264.417 2.157 10 0 CEAERP C[N@@H+]1CCN([C@@H](C[NH3+])c2ccccc2Cl)CC1(C)C ZINC000110921135 186332130 /nfs/dbraw/zinc/33/21/30/186332130.db2.gz GTCVPRMOIGZDTF-AWEZNQCLSA-N 2 0 281.831 2.366 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)cc1F ZINC000110977852 186338499 /nfs/dbraw/zinc/33/84/99/186338499.db2.gz DTFWKCSOHZUSNP-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000110650507 186311211 /nfs/dbraw/zinc/31/12/11/186311211.db2.gz RIMYVSHBEWKRRH-GFCCVEGCSA-N 2 0 286.379 2.296 10 0 CEAERP CC[C@@H]1CN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C ZINC000110694768 186313464 /nfs/dbraw/zinc/31/34/64/186313464.db2.gz AXBMNLJSBYIWIA-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP CC(C)Oc1cccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000110707922 186313599 /nfs/dbraw/zinc/31/35/99/186313599.db2.gz POAVAYWIGLJENQ-YOEHRIQHSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704962 186313748 /nfs/dbraw/zinc/31/37/48/186313748.db2.gz GDNGTGDCOLBCII-STQMWFEESA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@H]1CN([C@@H](CC[NH3+])c2ccccc2)CC[N@@H+]1C ZINC000110706037 186314966 /nfs/dbraw/zinc/31/49/66/186314966.db2.gz NPSAMOYHPKRBPY-HOTGVXAUSA-N 2 0 261.413 2.103 10 0 CEAERP CC[C@H]1CN(C[C@@](C)(CC)C[NH2+]C2CC2)CC[N@@H+]1C ZINC000110746536 186319321 /nfs/dbraw/zinc/31/93/21/186319321.db2.gz ZBMJZYSPPATTKU-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CC[N@@H+]1C ZINC000110746454 186319498 /nfs/dbraw/zinc/31/94/98/186319498.db2.gz HYBJXWSHWVGYRR-ZWKOTPCHSA-N 2 0 289.467 2.190 10 0 CEAERP C[N@@H+]1CCN(CC2(C[NH2+]C3CC3)CCCC2)CC1(C)C ZINC000110747159 186319897 /nfs/dbraw/zinc/31/98/97/186319897.db2.gz CHSOPSVCJWKFMG-UHFFFAOYSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747264 186320073 /nfs/dbraw/zinc/32/00/73/186320073.db2.gz XXDZXIZSKKTLJP-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP C[C@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CC[N@@H+]1C ZINC000110751487 186320412 /nfs/dbraw/zinc/32/04/12/186320412.db2.gz GMHWLJNPINIZFN-AWEZNQCLSA-N 2 0 273.424 2.075 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110746823 186320869 /nfs/dbraw/zinc/32/08/69/186320869.db2.gz SMOUGKHKCCYQBY-BZUAXINKSA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C)CC[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110753311 186322200 /nfs/dbraw/zinc/32/22/00/186322200.db2.gz CQWAMXQAQUFILZ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1ccc(F)cc1C[NH3+] ZINC000111028553 186345892 /nfs/dbraw/zinc/34/58/92/186345892.db2.gz KVSMCZJIJAAZMR-CYBMUJFWSA-N 2 0 252.333 2.148 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C[NH3+])c2cccc(F)c2F)C1 ZINC000111040061 186346852 /nfs/dbraw/zinc/34/68/52/186346852.db2.gz ZUFKLTNTEAWWLL-WFASDCNBSA-N 2 0 297.393 2.381 10 0 CEAERP CN(CC[NH+](C)C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000111131966 186356450 /nfs/dbraw/zinc/35/64/50/186356450.db2.gz IDUCTYVACYWROC-QLFBSQMISA-N 2 0 269.477 2.270 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111130645 186356687 /nfs/dbraw/zinc/35/66/87/186356687.db2.gz MLGBYWNEYRQNBK-ZIAGYGMSSA-N 2 0 269.458 2.410 10 0 CEAERP CCCc1ccc([C@@H]([NH3+])CN(C)CC[NH+](C)C)cc1 ZINC000111134827 186357161 /nfs/dbraw/zinc/35/71/61/186357161.db2.gz HPPDTDQGKNULET-INIZCTEOSA-N 2 0 263.429 2.132 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(OC)c(CN(C)CC[NH+](C)C)c1 ZINC000111135503 186357295 /nfs/dbraw/zinc/35/72/95/186357295.db2.gz KXLHFLZXJBXAQR-CQSZACIVSA-N 2 0 293.455 2.359 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135152 186357845 /nfs/dbraw/zinc/35/78/45/186357845.db2.gz XJKMUWIQRGGQTR-MRXNPFEDSA-N 2 0 293.455 2.148 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)[N@H+](C)CC1CCOCC1 ZINC000111175839 186364735 /nfs/dbraw/zinc/36/47/35/186364735.db2.gz MHSFCVMANRJUED-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N(C)CC1CCOCC1 ZINC000111175523 186364802 /nfs/dbraw/zinc/36/48/02/186364802.db2.gz GLTMGYAYNXVJEL-HNNXBMFYSA-N 2 0 256.434 2.369 10 0 CEAERP C[N@H+](CCC[NH2+]C1CCCC1)CC1CCOCC1 ZINC000111176937 186365516 /nfs/dbraw/zinc/36/55/16/186365516.db2.gz KPOYVWXALYZBQO-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000111175703 186365932 /nfs/dbraw/zinc/36/59/32/186365932.db2.gz QCPUXJXVXUKSMD-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172685 186365967 /nfs/dbraw/zinc/36/59/67/186365967.db2.gz MZIXGOHHNFXBMX-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP COCC[N@H+](C[C@@]1(C[NH2+]CC(C)C)CCCOC1)C1CC1 ZINC000111327248 186398568 /nfs/dbraw/zinc/39/85/68/186398568.db2.gz IACCAVWUYMNDED-KRWDZBQOSA-N 2 0 298.471 2.140 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@@H+]2CCCSCC2)CCCOC1 ZINC000111328478 186399715 /nfs/dbraw/zinc/39/97/15/186399715.db2.gz KJPKUHNBGUXQAF-HNNXBMFYSA-N 2 0 286.485 2.220 10 0 CEAERP CCC1(C)CC[NH+](C[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000111329318 186399891 /nfs/dbraw/zinc/39/98/91/186399891.db2.gz LZEDVLJREUQJDZ-HNNXBMFYSA-N 2 0 254.418 2.254 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111273356 186385789 /nfs/dbraw/zinc/38/57/89/186385789.db2.gz UZRDATSBGDHCBF-AUTRQRHGSA-N 2 0 253.415 2.266 10 0 CEAERP C[C@H]([NH3+])Cc1cc(F)c(N2CCC[C@@H]2C[NH+](C)C)c(F)c1 ZINC000111496670 186424338 /nfs/dbraw/zinc/42/43/38/186424338.db2.gz TXWPESWVYRKNSV-WCQYABFASA-N 2 0 297.393 2.385 10 0 CEAERP CO[C@H]1C[N@H+](CCC(C)(C)C2CC2)[C@@](C)(C[NH3+])C1 ZINC000630369557 351714249 /nfs/dbraw/zinc/71/42/49/351714249.db2.gz WJHCKBUZBGMYIT-UKRRQHHQSA-N 2 0 254.418 2.251 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2C)C1 ZINC000122839373 187054728 /nfs/dbraw/zinc/05/47/28/187054728.db2.gz GBCQGJALHPNIDC-HNNXBMFYSA-N 2 0 287.411 2.325 10 0 CEAERP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000123298176 187083518 /nfs/dbraw/zinc/08/35/18/187083518.db2.gz DCFVMFGAEDLTKN-KBPBESRZSA-N 2 0 275.396 2.252 10 0 CEAERP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000123298613 187084017 /nfs/dbraw/zinc/08/40/17/187084017.db2.gz DCFVMFGAEDLTKN-UONOGXRCSA-N 2 0 275.396 2.252 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000252806971 540008933 /nfs/dbraw/zinc/00/89/33/540008933.db2.gz HYSKUNUHGWWSTR-PBHICJAKSA-N 2 0 285.435 2.001 10 0 CEAERP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000133292283 366210079 /nfs/dbraw/zinc/21/00/79/366210079.db2.gz ODVIXLPFCQJPQQ-WMZOPIPTSA-N 2 0 290.451 2.302 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575439506 366288082 /nfs/dbraw/zinc/28/80/82/366288082.db2.gz CATYOEJHPXDYGQ-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000575440008 366288106 /nfs/dbraw/zinc/28/81/06/366288106.db2.gz QXIGOWKJQZDIHD-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP Cc1cc(C)cc(OCC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631843666 367586171 /nfs/dbraw/zinc/58/61/71/367586171.db2.gz RIOZBCJQKNCGAH-LSDHHAIUSA-N 2 0 262.397 2.209 10 0 CEAERP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)[C@H]1CC[NH2+]C1 ZINC000400725501 296150880 /nfs/dbraw/zinc/15/08/80/296150880.db2.gz PFYCRVUVWUJGLI-LOWVWBTDSA-N 2 0 262.353 2.064 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000235123927 370556561 /nfs/dbraw/zinc/55/65/61/370556561.db2.gz SPCHNZMMKRYBJC-LSDHHAIUSA-N 2 0 264.417 2.092 10 0 CEAERP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545738 371641379 /nfs/dbraw/zinc/64/13/79/371641379.db2.gz KHJLJPIPOCLPJY-MSOLQXFVSA-N 2 0 287.451 2.240 10 0 CEAERP COC[C@]1(CNc2cc[nH+]c(C)c2Cl)CCC[NH2+]1 ZINC000261583100 371660700 /nfs/dbraw/zinc/66/07/00/371660700.db2.gz RNADBTNCXDUBGU-CYBMUJFWSA-N 2 0 269.776 2.224 10 0 CEAERP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643456967 373128406 /nfs/dbraw/zinc/12/84/06/373128406.db2.gz KXMUMPRFORGTFT-JYJNAYRXSA-N 2 0 267.461 2.229 10 0 CEAERP C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3C2)C[C@@]1(C)C[NH3+] ZINC000388553628 375293259 /nfs/dbraw/zinc/29/32/59/375293259.db2.gz WQWILFUKFIPSMH-XOKHGSTOSA-N 2 0 258.409 2.461 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000093070699 184646558 /nfs/dbraw/zinc/64/65/58/184646558.db2.gz KFHPFHFQZUDYDY-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]C[C@@H](C)[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000093070692 184646679 /nfs/dbraw/zinc/64/66/79/184646679.db2.gz UAEODOLHNZUXKG-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCOCC1 ZINC000093472330 184680618 /nfs/dbraw/zinc/68/06/18/184680618.db2.gz DVZNULYFIBWBSB-HRCADAONSA-N 2 0 266.429 2.313 10 0 CEAERP [NH3+]C[C@@]1(O)CCC[C@H]1CC[N@@H+]1CCCc2ccccc2C1 ZINC000093626813 184698266 /nfs/dbraw/zinc/69/82/66/184698266.db2.gz MFSGVRVLCXSRIQ-ROUUACIJSA-N 2 0 288.435 2.315 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000093715418 184708252 /nfs/dbraw/zinc/70/82/52/184708252.db2.gz RCYZAUUQXHUBFD-ZDUSSCGKSA-N 2 0 272.433 2.286 10 0 CEAERP COC(C)(C)C[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070005 184753395 /nfs/dbraw/zinc/75/33/95/184753395.db2.gz GHKCINSSNZXUTO-ZDUSSCGKSA-N 2 0 272.433 2.020 10 0 CEAERP [NH3+]CCCOC1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000094069958 184753408 /nfs/dbraw/zinc/75/34/08/184753408.db2.gz JLNHMNGARKZYSC-UHFFFAOYSA-N 2 0 287.407 2.498 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2C(=O)C(C)(C)OC2(C)C)CC1 ZINC000094428980 184796695 /nfs/dbraw/zinc/79/66/95/184796695.db2.gz IYKSNEAARLKKGJ-AWEZNQCLSA-N 2 0 296.455 2.033 10 0 CEAERP CC[NH2+][C@H]1[C@@H](CN(C)CCC[NH+](C)C)C(C)(C)OC1(C)C ZINC000094429796 184797391 /nfs/dbraw/zinc/79/73/91/184797391.db2.gz TXGDNTABMNLUIP-CABCVRRESA-N 2 0 299.503 2.052 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000089482682 135059191 /nfs/dbraw/zinc/05/91/91/135059191.db2.gz SUBDKSBNRGXPSY-IRXDYDNUSA-N 2 0 287.451 2.492 10 0 CEAERP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000091539834 135071625 /nfs/dbraw/zinc/07/16/25/135071625.db2.gz SPXAQKBSWTWBAK-ZIAGYGMSSA-N 2 0 277.387 2.075 10 0 CEAERP Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]cc1N ZINC000092027379 135075189 /nfs/dbraw/zinc/07/51/89/135075189.db2.gz AEELMGWVGHPLCK-UHFFFAOYSA-N 2 0 274.412 2.284 10 0 CEAERP CC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246218245 394511905 /nfs/dbraw/zinc/51/19/05/394511905.db2.gz LBBPPFBSUQMDCR-KBPBESRZSA-N 2 0 256.434 2.057 10 0 CEAERP COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261794320 394607612 /nfs/dbraw/zinc/60/76/12/394607612.db2.gz GIQADEPUMOIGKV-CQSZACIVSA-N 2 0 274.408 2.095 10 0 CEAERP Fc1cc(Br)ccc1CNC[C@@H]1CC[NH2+]C1 ZINC000398350120 395234183 /nfs/dbraw/zinc/23/41/83/395234183.db2.gz JCCQUAREGZJLPW-SECBINFHSA-N 2 0 287.176 2.287 10 0 CEAERP [NH3+][C@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000307019031 400337680 /nfs/dbraw/zinc/33/76/80/400337680.db2.gz RPYQUPNCZJVRGR-XNHLSEOASA-N 2 0 285.435 2.215 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)C[C@@H]12 ZINC000394502016 400549817 /nfs/dbraw/zinc/54/98/17/400549817.db2.gz RCESKRBSDBLXHU-YVECIDJPSA-N 2 0 258.356 2.481 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262021803 153896987 /nfs/dbraw/zinc/89/69/87/153896987.db2.gz YZSBUTCXRGXOMV-MPKXVKKWSA-N 2 0 261.369 2.020 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000262975849 154001746 /nfs/dbraw/zinc/00/17/46/154001746.db2.gz YBYKOPDTXJKKCH-JCURWCKSSA-N 2 0 299.418 2.329 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000263234358 154043031 /nfs/dbraw/zinc/04/30/31/154043031.db2.gz NUQSZGDMVBWXHY-ZJPYXAASSA-N 2 0 288.435 2.273 10 0 CEAERP CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365657 171164026 /nfs/dbraw/zinc/16/40/26/171164026.db2.gz AVKRHSPYDFJDIZ-ILXRZTDVSA-N 2 0 285.476 2.390 10 0 CEAERP Cc1ccc(C)c(OC[C@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020402073 171182376 /nfs/dbraw/zinc/18/23/76/171182376.db2.gz NGKPDNIZHZSKGR-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP [NH3+]CC[C@H](COc1ccccc1F)[NH+]1CCCC1 ZINC000020401973 171182417 /nfs/dbraw/zinc/18/24/17/171182417.db2.gz KXHUYUBOMXAZQN-GFCCVEGCSA-N 2 0 252.333 2.018 10 0 CEAERP CSc1ccc([C@@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000020523755 171236658 /nfs/dbraw/zinc/23/66/58/171236658.db2.gz JKTKWTSAJLOUFR-OAHLLOKOSA-N 2 0 279.453 2.046 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022214155 171375158 /nfs/dbraw/zinc/37/51/58/171375158.db2.gz XIZPWGDQOPXSHA-MJBXVCDLSA-N 2 0 289.423 2.450 10 0 CEAERP C[N@H+](CC(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000022214878 171375520 /nfs/dbraw/zinc/37/55/20/171375520.db2.gz HULQCSCFSPJLCH-UHFFFAOYSA-N 2 0 275.396 2.348 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])CC1 ZINC000022566642 171392533 /nfs/dbraw/zinc/39/25/33/171392533.db2.gz NSVWSRXNIWBFJN-BZSNNMDCSA-N 2 0 287.451 2.288 10 0 CEAERP CCN(C1CCCCC1)C1(C[NH3+])CC[NH+](CC)CC1 ZINC000035176744 172030156 /nfs/dbraw/zinc/03/01/56/172030156.db2.gz SDUBJOARLRXQFQ-UHFFFAOYSA-N 2 0 267.461 2.454 10 0 CEAERP CC[NH+](CC)CCNC1CC[NH+](CC=C(C)C)CC1 ZINC000037202054 173026196 /nfs/dbraw/zinc/02/61/96/173026196.db2.gz VUVQABWETVJOIN-UHFFFAOYSA-N 2 0 267.461 2.348 10 0 CEAERP [NH3+]C1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000037325913 173126659 /nfs/dbraw/zinc/12/66/59/173126659.db2.gz HBPHSUKGFDWWGT-QGZVFWFLSA-N 2 0 273.424 2.074 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000037496869 173235488 /nfs/dbraw/zinc/23/54/88/173235488.db2.gz SPMGWFGJISMLSK-GVDBMIGSSA-N 2 0 279.472 2.182 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000037496870 173236037 /nfs/dbraw/zinc/23/60/37/173236037.db2.gz SPMGWFGJISMLSK-BBWFWOEESA-N 2 0 279.472 2.182 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622549 174356038 /nfs/dbraw/zinc/35/60/38/174356038.db2.gz IBKRBCNHYOZGPP-LSDHHAIUSA-N 3 0 267.461 2.037 10 0 CEAERP CC[NH+](CC)CCN[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671168 174369058 /nfs/dbraw/zinc/36/90/58/174369058.db2.gz XXYRNOHGOPFGBK-SFHVURJKSA-N 2 0 289.467 2.235 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N1CCC(C[NH+](C)C)CC1 ZINC000042392225 174706728 /nfs/dbraw/zinc/70/67/28/174706728.db2.gz WPUUBFZMPAEDMO-INIZCTEOSA-N 2 0 269.477 2.414 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000042902030 174906350 /nfs/dbraw/zinc/90/63/50/174906350.db2.gz XENDTYSWSVTISN-GDBMZVCRSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335802 175011129 /nfs/dbraw/zinc/01/11/29/175011129.db2.gz JADZCCVKNWGSAK-GDBMZVCRSA-N 2 0 277.412 2.086 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000043363792 175024296 /nfs/dbraw/zinc/02/42/96/175024296.db2.gz JPGMKMXMVKODCQ-IUODEOHRSA-N 2 0 265.401 2.002 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000043365321 175026877 /nfs/dbraw/zinc/02/68/77/175026877.db2.gz WHSYIWCXSKPZRL-CJNGLKHVSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000043818241 175112911 /nfs/dbraw/zinc/11/29/11/175112911.db2.gz CRUHXEXWLMSRTL-SJORKVTESA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897007 175119856 /nfs/dbraw/zinc/11/98/56/175119856.db2.gz FIHKGXYIQWPHAI-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897329 175119958 /nfs/dbraw/zinc/11/99/58/175119958.db2.gz JAEIPMXVYZGTSF-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907759 175123477 /nfs/dbraw/zinc/12/34/77/175123477.db2.gz HFGDCLIMNJSPQZ-DLBZAZTESA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965694 175127088 /nfs/dbraw/zinc/12/70/88/175127088.db2.gz YRBINQMFBIRAHH-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970671 175131856 /nfs/dbraw/zinc/13/18/56/175131856.db2.gz KSXDCSRJINIECJ-UAGQMJEPSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H](CC)[C@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970719 175131964 /nfs/dbraw/zinc/13/19/64/175131964.db2.gz FYIPQFHUOHKVPL-ZFWWWQNUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073258 175302408 /nfs/dbraw/zinc/30/24/08/175302408.db2.gz ZRNNDKIDIJSTHT-ARFHVFGLSA-N 2 0 266.429 2.408 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH3+])C(N)=O)C1CCCCC1 ZINC000045372303 175364834 /nfs/dbraw/zinc/36/48/34/175364834.db2.gz PTTVTDKNHCNETF-HNNXBMFYSA-N 2 0 269.433 2.014 10 0 CEAERP CCC[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C(C)C ZINC000045385917 175371750 /nfs/dbraw/zinc/37/17/50/175371750.db2.gz AXTHJHOUBYJMGC-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C1CC1 ZINC000045392826 175375452 /nfs/dbraw/zinc/37/54/52/175375452.db2.gz HVDRUEBOYUOLFL-SWLSCSKDSA-N 2 0 270.417 2.168 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1CC[NH3+] ZINC000070542691 175977929 /nfs/dbraw/zinc/97/79/29/175977929.db2.gz GFJJXPOOXNHKON-XJKSGUPXSA-N 2 0 262.397 2.187 10 0 CEAERP c1ccc2c(c1)CCO[C@@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000071091168 176031451 /nfs/dbraw/zinc/03/14/51/176031451.db2.gz IITOWJGCWNKHNP-QGZVFWFLSA-N 2 0 274.408 2.376 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@H]2OCCc3ccccc32)CC1 ZINC000071091592 176031939 /nfs/dbraw/zinc/03/19/39/176031939.db2.gz SMBBTLSVJSNCAO-QGZVFWFLSA-N 2 0 274.408 2.232 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000071124980 176035204 /nfs/dbraw/zinc/03/52/04/176035204.db2.gz MEXUIRHKVXDQSD-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2)C1 ZINC000071169823 176050337 /nfs/dbraw/zinc/05/03/37/176050337.db2.gz AYCBJHZYBMVMCN-DZGCQCFKSA-N 2 0 262.397 2.168 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000071170256 176050848 /nfs/dbraw/zinc/05/08/48/176050848.db2.gz NVZNMNUFZHZLFO-CQSZACIVSA-N 2 0 274.408 2.441 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188047 176061778 /nfs/dbraw/zinc/06/17/78/176061778.db2.gz ZMLHFCYJBUIDGH-BZPMIXESSA-N 2 0 267.442 2.020 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)s1 ZINC000071188365 176063078 /nfs/dbraw/zinc/06/30/78/176063078.db2.gz UCPMWAWXWQIMKD-OCCSQVGLSA-N 2 0 281.469 2.194 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](C)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1O ZINC000071190609 176066812 /nfs/dbraw/zinc/06/68/12/176066812.db2.gz BBHFIYPOVCJNDJ-FPCVCCKLSA-N 2 0 282.472 2.446 10 0 CEAERP CC(C)[C@H]1CC[C@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190576 176067277 /nfs/dbraw/zinc/06/72/77/176067277.db2.gz DRGJHKJCSCSYOW-QXSJWSMHSA-N 2 0 268.445 2.056 10 0 CEAERP COc1ccc([C@H](O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190643 176068014 /nfs/dbraw/zinc/06/80/14/176068014.db2.gz PLAVFWITHWRGIC-JJRVBVJISA-N 2 0 292.423 2.001 10 0 CEAERP C[NH2+][C@@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1cccc(F)c1 ZINC000071191258 176069310 /nfs/dbraw/zinc/06/93/10/176069310.db2.gz GYFPWZQSIHDBCX-PBHICJAKSA-N 2 0 293.430 2.360 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000071191782 176071138 /nfs/dbraw/zinc/07/11/38/176071138.db2.gz VMXLTDKMZCUQPE-CQSZACIVSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191958 176071792 /nfs/dbraw/zinc/07/17/92/176071792.db2.gz DHJLRSDVSFHLRK-CQSZACIVSA-N 2 0 279.428 2.161 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191971 176072235 /nfs/dbraw/zinc/07/22/35/176072235.db2.gz OLFNMOWRJDAZSZ-CABCVRRESA-N 2 0 269.477 2.283 10 0 CEAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)C[C@H]1CC[NH+](C)C1 ZINC000071191863 176072315 /nfs/dbraw/zinc/07/23/15/176072315.db2.gz PNZCAGIPOFRKJQ-OAHLLOKOSA-N 3 0 269.477 2.428 10 0 CEAERP Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C[NH2+]C1CC1 ZINC000071192041 176074090 /nfs/dbraw/zinc/07/40/90/176074090.db2.gz RRAYATXOAMCQSH-AWEZNQCLSA-N 2 0 291.439 2.224 10 0 CEAERP CC[NH2+][C@@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000071197764 176076663 /nfs/dbraw/zinc/07/66/63/176076663.db2.gz PBJUSXAWPSDOJJ-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]([NH2+]C)C1 ZINC000071198303 176077375 /nfs/dbraw/zinc/07/73/75/176077375.db2.gz NLFJTNCILWHZFK-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1cc(C)cc(C)c1 ZINC000071224373 176088278 /nfs/dbraw/zinc/08/82/78/176088278.db2.gz LHBQZPAWVVQCMO-UHFFFAOYSA-N 2 0 250.386 2.101 10 0 CEAERP COCC[N@H+](Cc1ccc(F)cc1C(N)=[NH2+])[C@@H](C)C1CC1 ZINC000071267911 176101519 /nfs/dbraw/zinc/10/15/19/176101519.db2.gz VEUKBGKZHKKNLP-NSHDSACASA-N 2 0 293.386 2.357 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000071290110 176110213 /nfs/dbraw/zinc/11/02/13/176110213.db2.gz DOMOVHPRTLVTGO-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[N@H+]1[C@@H]2CC[C@H]1CC(C[NH2+]Cc1cnn3ccccc13)C2 ZINC000071373164 176138177 /nfs/dbraw/zinc/13/81/77/176138177.db2.gz UBXZILGYNKZPJA-VHRNVKJDSA-N 2 0 284.407 2.297 10 0 CEAERP C[N@H+](CCNCC[C@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377260 176142086 /nfs/dbraw/zinc/14/20/86/176142086.db2.gz MZDNALZJDOHCBZ-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+]Cc1ccc(OCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000071398578 176151680 /nfs/dbraw/zinc/15/16/80/176151680.db2.gz SMNNDJJFBRQZMT-UHFFFAOYSA-N 2 0 276.302 2.365 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401194 176153471 /nfs/dbraw/zinc/15/34/71/176153471.db2.gz QQEGKOFHSVSNQA-CVEARBPZSA-N 2 0 291.439 2.169 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000079625955 177528644 /nfs/dbraw/zinc/52/86/44/177528644.db2.gz CWMATNCPTBTGPP-ARFHVFGLSA-N 2 0 279.472 2.323 10 0 CEAERP C[NH2+][C@H]1CCC(C)(C)C[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000079625953 177528854 /nfs/dbraw/zinc/52/88/54/177528854.db2.gz CWMATNCPTBTGPP-HRCADAONSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000521859027 260220416 /nfs/dbraw/zinc/22/04/16/260220416.db2.gz PDGCXWOUPDNNON-FUHWJXTLSA-N 2 0 289.467 2.486 10 0 CEAERP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1Br ZINC000398376811 270358065 /nfs/dbraw/zinc/35/80/65/270358065.db2.gz TZIIRALPCPWSQK-GFCCVEGCSA-N 2 0 283.213 2.457 10 0 CEAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400556709 278210463 /nfs/dbraw/zinc/21/04/63/278210463.db2.gz ZHWMOOBCFCQDTM-YWPYICTPSA-N 2 0 275.396 2.294 10 0 CEAERP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767032 278284340 /nfs/dbraw/zinc/28/43/40/278284340.db2.gz ZIFSOCWJOPTZAH-ZOBUZTSGSA-N 2 0 275.440 2.095 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251431694 279133823 /nfs/dbraw/zinc/13/38/23/279133823.db2.gz SCRXJASFXNLERZ-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245729497 280258707 /nfs/dbraw/zinc/25/87/07/280258707.db2.gz YILRSVIEIFJHRT-CVEARBPZSA-N 2 0 297.487 2.345 10 0 CEAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566967549 299032377 /nfs/dbraw/zinc/03/23/77/299032377.db2.gz GWMZKUWRQGAZHN-RGCMKSIDSA-N 2 0 254.418 2.168 10 0 CEAERP CC(C)CC[C@@H](C)[NH2+]CCN(C)CC[NH+]1CCCC1 ZINC000063054352 519682137 /nfs/dbraw/zinc/68/21/37/519682137.db2.gz FGBWKBZAVKOQNQ-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479962 519744646 /nfs/dbraw/zinc/74/46/46/519744646.db2.gz SWYTYAPSJUSEKC-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973160 519745618 /nfs/dbraw/zinc/74/56/18/519745618.db2.gz NJJILUVMQHRVJY-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH2+]CC[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503419 519919590 /nfs/dbraw/zinc/91/95/90/519919590.db2.gz RBYVVUANWGLKLP-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]C[C@H](OCC[NH+](C)C)c1ccccc1 ZINC000052669928 519933054 /nfs/dbraw/zinc/93/30/54/519933054.db2.gz DSXMJJDGLKMNRK-HNNXBMFYSA-N 2 0 250.386 2.306 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+]([C@H](C)CC)CC1)C(C)(C)C ZINC000055065944 520100464 /nfs/dbraw/zinc/10/04/64/520100464.db2.gz KAVOFMLAVSPVIO-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000061268959 520166706 /nfs/dbraw/zinc/16/67/06/520166706.db2.gz WTFHPMZIGDPTBK-UONOGXRCSA-N 2 0 271.449 2.001 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079162 520214015 /nfs/dbraw/zinc/21/40/15/520214015.db2.gz QKGLPAWZFDHCMJ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643716 520214741 /nfs/dbraw/zinc/21/47/41/520214741.db2.gz RKWYIAHQZYGMPY-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000053012708 520610432 /nfs/dbraw/zinc/61/04/32/520610432.db2.gz IYJXRQRLZMQHAP-INIZCTEOSA-N 2 0 269.477 2.286 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1occc1C[NH2+]CC ZINC000052544165 521657806 /nfs/dbraw/zinc/65/78/06/521657806.db2.gz BECVJEGBBRNRQU-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346815 522058198 /nfs/dbraw/zinc/05/81/98/522058198.db2.gz KOLHIUHAQCKLEN-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C[C@H](OCC[NH+]1CCCCC1)c1ccccc1 ZINC000052671094 522076634 /nfs/dbraw/zinc/07/66/34/522076634.db2.gz HGCZSSSRIGTLQH-INIZCTEOSA-N 2 0 262.397 2.450 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(CC)(CC)C[NH3+])CC1 ZINC000055072006 522117027 /nfs/dbraw/zinc/11/70/27/522117027.db2.gz XTDTZXMDIUOVQC-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP C(C[C@@H]1CCC[NH2+]1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052764404 518396678 /nfs/dbraw/zinc/39/66/78/518396678.db2.gz UXLCDYPHQZKJRY-INIZCTEOSA-N 3 0 279.472 2.469 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000054556974 519561520 /nfs/dbraw/zinc/56/15/20/519561520.db2.gz SUBQWXSPLNSCBT-UHFFFAOYSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161482 519715622 /nfs/dbraw/zinc/71/56/22/519715622.db2.gz MHGNNVKGJPQCQP-HZPDHXFCSA-N 2 0 297.487 2.188 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCC[C@@H]2C)CCOCC1 ZINC000052180444 519719662 /nfs/dbraw/zinc/71/96/62/519719662.db2.gz XZVMMEILCPNUQM-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[NH2+]C[C@H](C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062036488 519724428 /nfs/dbraw/zinc/72/44/28/519724428.db2.gz ALBAEXZUDGXHLL-INIZCTEOSA-N 3 0 281.488 2.428 10 0 CEAERP CC(C)C[NH+]1CCN(CCCCC[NH2+]C(C)C)CC1 ZINC000055082956 519725303 /nfs/dbraw/zinc/72/53/03/519725303.db2.gz YCWBRTJISKRSFV-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]Cc1cccc(COCC[NH+](C)C)c1 ZINC000052669515 519727163 /nfs/dbraw/zinc/72/71/63/519727163.db2.gz GBEPXYDFNSGWHJ-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055078211 519727985 /nfs/dbraw/zinc/72/79/85/519727985.db2.gz ODWRDYKPPNXTIQ-MRXNPFEDSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000055076385 519729239 /nfs/dbraw/zinc/72/92/39/519729239.db2.gz VVCQFAFCLZXXEO-GFCCVEGCSA-N 2 0 294.468 2.257 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(OCCOCC[NH+](C)C)c1 ZINC000052669678 519747694 /nfs/dbraw/zinc/74/76/94/519747694.db2.gz FETDUOFHRZFGKC-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP CC(C)[C@@H](C[NH3+])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702298 519794246 /nfs/dbraw/zinc/79/42/46/519794246.db2.gz FLLBEYRJSHPHCG-HZPDHXFCSA-N 2 0 262.397 2.261 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571557 519794793 /nfs/dbraw/zinc/79/47/93/519794793.db2.gz JFWYKTSGIFSPJC-OAHLLOKOSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@]2(CCC)CC[NH2+]C2)CC1 ZINC000062897114 519843991 /nfs/dbraw/zinc/84/39/91/519843991.db2.gz MHKSPVNPHGVBGR-QGZVFWFLSA-N 2 0 295.471 2.099 10 0 CEAERP CCC[NH+]1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052421809 519858481 /nfs/dbraw/zinc/85/84/81/519858481.db2.gz QLFFFUKWMBWZEW-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554495 519859488 /nfs/dbraw/zinc/85/94/88/519859488.db2.gz HQELBNPWCPPEEM-HRCADAONSA-N 2 0 267.461 2.166 10 0 CEAERP CCCC1CC[NH+]([C@H]2CC3(CC[C@@H]2[NH3+])OCCO3)CC1 ZINC000050893526 519903652 /nfs/dbraw/zinc/90/36/52/519903652.db2.gz PHPNMDIOODJXRH-GJZGRUSLSA-N 2 0 282.428 2.121 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)CC2)O1 ZINC000052377141 519938201 /nfs/dbraw/zinc/93/82/01/519938201.db2.gz FIRVDXHKQFCDDG-HUUCEWRRSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@H](C)COC)o1 ZINC000052511503 519948055 /nfs/dbraw/zinc/94/80/55/519948055.db2.gz LLUKOGFNQDSEJX-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CCC[NH2+]Cc1cc(F)ccc1N1CC[C@H]([NH+](C)C)C1 ZINC000062967160 519948396 /nfs/dbraw/zinc/94/83/96/519948396.db2.gz WBAULPHMJKSXAR-HNNXBMFYSA-N 2 0 279.403 2.466 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653493 519958215 /nfs/dbraw/zinc/95/82/15/519958215.db2.gz YPQWYIDQXQEOFY-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000061233914 519968495 /nfs/dbraw/zinc/96/84/95/519968495.db2.gz REUVZTPYYCVFLD-AWEZNQCLSA-N 2 0 289.423 2.467 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560061 520024870 /nfs/dbraw/zinc/02/48/70/520024870.db2.gz GZNPGYFUATVMSO-BZUAXINKSA-N 2 0 270.461 2.351 10 0 CEAERP CC[NH2+][C@@H](C)CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000045602599 520071070 /nfs/dbraw/zinc/07/10/70/520071070.db2.gz SCGLSBHRKRWHQD-HNNXBMFYSA-N 3 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H]1CCCc2nc(CC[NH+](CC)CC)ncc21 ZINC000050100862 520118039 /nfs/dbraw/zinc/11/80/39/520118039.db2.gz LDHWRYANHUIKBA-CQSZACIVSA-N 2 0 276.428 2.348 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062964943 520122339 /nfs/dbraw/zinc/12/23/39/520122339.db2.gz CJMJGOFTBBARBQ-CAOSSQGBSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC000054560657 520218429 /nfs/dbraw/zinc/21/84/29/520218429.db2.gz TWVMCQIOBJVZPR-FPCVCCKLSA-N 2 0 270.461 2.349 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079309 520219882 /nfs/dbraw/zinc/21/98/82/520219882.db2.gz RJGARSXDVFQNEP-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000054554518 520220023 /nfs/dbraw/zinc/22/00/23/520220023.db2.gz IXHORHZGTFOQOP-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H]1COc2cc(OCC[NH+](CC)CC)ccc21 ZINC000062804938 520222198 /nfs/dbraw/zinc/22/21/98/520222198.db2.gz PVHITPUQCFVQJE-HNNXBMFYSA-N 2 0 278.396 2.450 10 0 CEAERP CCCCC[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078537 520292363 /nfs/dbraw/zinc/29/23/63/520292363.db2.gz BBTZWHTVNOFLHV-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[NH+](CC)CCOCCOc1ccccc1C[NH2+]C ZINC000052671843 520694004 /nfs/dbraw/zinc/69/40/04/520694004.db2.gz YAXYCQBJAQSFQX-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)C1 ZINC000062977188 520874300 /nfs/dbraw/zinc/87/43/00/520874300.db2.gz AIKHUNMWVVAAPY-RDBSUJKOSA-N 2 0 255.450 2.164 10 0 CEAERP CCC[C@H]([NH3+])[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055078924 521121355 /nfs/dbraw/zinc/12/13/55/521121355.db2.gz OVQQOYJURGUSDO-LSDHHAIUSA-N 2 0 255.450 2.166 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000069380853 521121345 /nfs/dbraw/zinc/12/13/45/521121345.db2.gz RLADSAXDBBFTQW-CABCVRRESA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CCC[NH2+]C1CC1 ZINC000052510958 521228334 /nfs/dbraw/zinc/22/83/34/521228334.db2.gz HZPRAVHGNABOGM-ZFWWWQNUSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000049197570 521584540 /nfs/dbraw/zinc/58/45/40/521584540.db2.gz OKAUTXVAPSOQSL-HOCLYGCPSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH+]1CCN(C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054559457 521685699 /nfs/dbraw/zinc/68/56/99/521685699.db2.gz WGKTYAIZZSBSRR-IKGGRYGDSA-N 2 0 281.488 2.284 10 0 CEAERP CCC[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])OCC ZINC000062739587 521687333 /nfs/dbraw/zinc/68/73/33/521687333.db2.gz YGRASCCYZSDMPQ-HNNXBMFYSA-N 2 0 250.386 2.262 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554516 521695461 /nfs/dbraw/zinc/69/54/61/521695461.db2.gz VEAOCZBQPMALKF-JYJNAYRXSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1oc2ccccc2c1C[NH3+] ZINC000061654610 521840189 /nfs/dbraw/zinc/84/01/89/521840189.db2.gz SLOQWIQHFYYIEC-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCCC1 ZINC000054629741 521955405 /nfs/dbraw/zinc/95/54/05/521955405.db2.gz VENALFHUVAUFHW-HNSVSWJLSA-N 2 0 265.445 2.076 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517758 522093948 /nfs/dbraw/zinc/09/39/48/522093948.db2.gz DNCVMDNBJBTHCN-OWCLPIDISA-N 2 0 266.429 2.408 10 0 CEAERP C[NH2+]C[C@](C)(CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000051217196 522098606 /nfs/dbraw/zinc/09/86/06/522098606.db2.gz GVIXPFYBICDZAH-GOSISDBHSA-N 2 0 289.467 2.190 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000055071209 522109440 /nfs/dbraw/zinc/10/94/40/522109440.db2.gz WUECHRCERZLHQF-OAHLLOKOSA-N 2 0 295.471 2.228 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000055064264 522126060 /nfs/dbraw/zinc/12/60/60/522126060.db2.gz UWTIUXQPBDFXBA-CQSZACIVSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000055063759 522128552 /nfs/dbraw/zinc/12/85/52/522128552.db2.gz XYWINYJDFLLRBJ-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075303 522131339 /nfs/dbraw/zinc/13/13/39/522131339.db2.gz WPSJMOMMQRZBHS-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+]Cc1ccccc1CN1CC[NH+](CC(C)C)CC1 ZINC000055082843 522136675 /nfs/dbraw/zinc/13/66/75/522136675.db2.gz PDHMZBHSUHRPHN-UHFFFAOYSA-N 2 0 275.440 2.180 10 0 CEAERP C[NH2+]Cc1sc(N(CC[NH+](C)C)CC(C)C)nc1C ZINC000054998599 522166905 /nfs/dbraw/zinc/16/69/05/522166905.db2.gz YQAHBVOYKRXJKO-UHFFFAOYSA-N 2 0 284.473 2.195 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515237 522189905 /nfs/dbraw/zinc/18/99/05/522189905.db2.gz MCBCJWORNOOYSZ-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1ccoc1C[NH2+]C(C)C ZINC000052511570 522220613 /nfs/dbraw/zinc/22/06/13/522220613.db2.gz WEVJOIAHGLOITN-GFCCVEGCSA-N 2 0 254.374 2.244 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054899463 522340007 /nfs/dbraw/zinc/34/00/07/522340007.db2.gz YVZJJNODHIQMFR-JTQLQIEISA-N 2 0 282.457 2.262 10 0 CEAERP CC[C@@H](C[NH2+]C1CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417100 522545805 /nfs/dbraw/zinc/54/58/05/522545805.db2.gz BRMUYAXVBPZHLP-SFHVURJKSA-N 2 0 287.451 2.335 10 0 CEAERP C[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CCCC1 ZINC000052181350 522591304 /nfs/dbraw/zinc/59/13/04/522591304.db2.gz CASVIPXLIOFQSV-UHFFFAOYSA-N 2 0 266.429 2.410 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1occc1C[NH2+]CC(C)C ZINC000052511457 522595326 /nfs/dbraw/zinc/59/53/26/522595326.db2.gz UERIWHQLSIPCSE-ZDUSSCGKSA-N 2 0 268.401 2.492 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](CC(C)C)CC1 ZINC000055077433 522648709 /nfs/dbraw/zinc/64/87/09/522648709.db2.gz QHXKQKQJYJWYOD-WBVHZDCISA-N 2 0 290.455 2.134 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000063050905 522829047 /nfs/dbraw/zinc/82/90/47/522829047.db2.gz KXPUTVBXQUBKPM-HNNXBMFYSA-N 2 0 281.831 2.367 10 0 CEAERP CN([C@@H](CC[NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000055015139 523624911 /nfs/dbraw/zinc/62/49/11/523624911.db2.gz WBOKBKRPCQMEHZ-INIZCTEOSA-N 2 0 261.413 2.103 10 0 CEAERP CN([C@H](C[NH3+])c1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000068810733 523627198 /nfs/dbraw/zinc/62/71/98/523627198.db2.gz YRVWODQWOJHYDN-OAHLLOKOSA-N 2 0 287.407 2.459 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970435 523639089 /nfs/dbraw/zinc/63/90/89/523639089.db2.gz CHTNROOWPALSJM-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP COCC[N@H+](C[C@@H]1C[C@@H](C(C)C)CC[C@@H]1[NH3+])C1CC1 ZINC000054560267 523732136 /nfs/dbraw/zinc/73/21/36/523732136.db2.gz HZTCORGSGQNYER-DZKIICNBSA-N 2 0 268.445 2.497 10 0 CEAERP COCC[N@H+](Cc1cc(C)c(C[NH3+])o1)[C@@H](C)C1CC1 ZINC000052545385 523740992 /nfs/dbraw/zinc/74/09/92/523740992.db2.gz QBADOKMQNQPCBI-LBPRGKRZSA-N 2 0 266.385 2.294 10 0 CEAERP C[N@@H+]1CCCN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC1 ZINC000069374305 523808599 /nfs/dbraw/zinc/80/85/99/523808599.db2.gz FQDPMXOHSVBDOX-UHFFFAOYSA-N 2 0 293.377 2.074 10 0 CEAERP C[N@@H+]1CCCN(Cc2cc(C[NH2+]C(C)(C)C)co2)CC1 ZINC000052424290 523808941 /nfs/dbraw/zinc/80/89/41/523808941.db2.gz ZDRAOMZMUBRSJW-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOCCCCC[NH2+]C1CC1 ZINC000052673580 523822171 /nfs/dbraw/zinc/82/21/71/523822171.db2.gz WTFGSOOGNJEMKC-OAHLLOKOSA-N 2 0 254.418 2.410 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083473 523955353 /nfs/dbraw/zinc/95/53/53/523955353.db2.gz TXOHDUHOHARMAB-NXOAAHMSSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065448 523957679 /nfs/dbraw/zinc/95/76/79/523957679.db2.gz BOWQDNGYTCZGFW-XKQJLSEDSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064068 523958039 /nfs/dbraw/zinc/95/80/39/523958039.db2.gz PQQYXDSCBQZTQE-JSGCOSHPSA-N 2 0 265.401 2.004 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@]2(C[NH3+])CCCC[C@@H]2C)CC1 ZINC000055064720 523958555 /nfs/dbraw/zinc/95/85/55/523958555.db2.gz ICIDFFMUSHGZDW-HRCADAONSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH2+]C)CC1 ZINC000055065229 523958892 /nfs/dbraw/zinc/95/88/92/523958892.db2.gz FJXZYARLLQWEOD-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069181946 523962157 /nfs/dbraw/zinc/96/21/57/523962157.db2.gz ZMVRUWALXYNLCN-NSHDSACASA-N 2 0 294.468 2.400 10 0 CEAERP C[NH+](C)C1CCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052477706 524040261 /nfs/dbraw/zinc/04/02/61/524040261.db2.gz GTUDMONVJWMGQF-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052515182 524049962 /nfs/dbraw/zinc/04/99/62/524049962.db2.gz GIJBDHJWIBRRPQ-UHFFFAOYSA-N 3 0 269.477 2.428 10 0 CEAERP C[NH+](C)CC1CCN(c2ccc(C[NH2+]C3CC3)cn2)CC1 ZINC000051484391 524050498 /nfs/dbraw/zinc/05/04/98/524050498.db2.gz KGJIAYZRRQKXPC-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP Cc1cc(COCC[NH+](C)C)oc1C[NH2+]CC(C)C ZINC000052669987 524804877 /nfs/dbraw/zinc/80/48/77/524804877.db2.gz GPROCSJKYMWKCR-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@H](C)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000053244925 525191812 /nfs/dbraw/zinc/19/18/12/525191812.db2.gz GLVLOLRLXYTBPV-LXZKKBNFSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@](CCCC[N@@H+]1CCCC(C)(C)C1)([NH2+]C1CC1)C(N)=O ZINC000069516645 525739918 /nfs/dbraw/zinc/73/99/18/525739918.db2.gz CYNWIVSPTMSWBE-KRWDZBQOSA-N 2 0 295.471 2.275 10 0 CEAERP C[C@@](CO)(CCC[NH+](CC1CC1)CC1CC1)[NH2+]C1CC1 ZINC000070336141 525741113 /nfs/dbraw/zinc/74/11/13/525741113.db2.gz RYRFQNOOCJEOPQ-KRWDZBQOSA-N 2 0 280.456 2.392 10 0 CEAERP C[C@H](c1cccs1)[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052182439 526154209 /nfs/dbraw/zinc/15/42/09/526154209.db2.gz QAYAEYDULQHLQH-GFCCVEGCSA-N 2 0 268.426 2.496 10 0 CEAERP Cc1oc(C[NH2+]C(C)(C)C)cc1CN1CC[NH+](C)CC1 ZINC000052379573 526775327 /nfs/dbraw/zinc/77/53/27/526775327.db2.gz DZLGSJQTTIOXEJ-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP NC(=[NH2+])C[C@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000055023203 526817518 /nfs/dbraw/zinc/81/75/18/526817518.db2.gz GABDYJDQRJAFFD-CYBMUJFWSA-N 2 0 263.410 2.493 10 0 CEAERP Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1[C@@H](C)[NH3+] ZINC000054896315 526952223 /nfs/dbraw/zinc/95/22/23/526952223.db2.gz JVLBYUQEYFTRMV-MWLCHTKSSA-N 2 0 268.430 2.002 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000052182058 527163188 /nfs/dbraw/zinc/16/31/88/527163188.db2.gz WZPUXGSETODDDY-INIZCTEOSA-N 2 0 274.408 2.231 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000052182056 527163456 /nfs/dbraw/zinc/16/34/56/527163456.db2.gz WZPUXGSETODDDY-MRXNPFEDSA-N 2 0 274.408 2.231 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052763362 527164124 /nfs/dbraw/zinc/16/41/24/527164124.db2.gz NZTZCRMLASWKPS-AWEZNQCLSA-N 2 0 254.418 2.133 10 0 CEAERP Cc1ncc(C[NH2+]C[C@H](C[NH3+])c2ccccc2)s1 ZINC000061613664 527272241 /nfs/dbraw/zinc/27/22/41/527272241.db2.gz KYGCWCGTPPWRQY-ZDUSSCGKSA-N 2 0 261.394 2.284 10 0 CEAERP NNc1[nH+]cccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000052718688 527288403 /nfs/dbraw/zinc/28/84/03/527288403.db2.gz LSBKQLNSWSWEIX-AWEZNQCLSA-N 2 0 268.364 2.357 10 0 CEAERP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000087535298 535341182 /nfs/dbraw/zinc/34/11/82/535341182.db2.gz SANJEYNRLQSABN-HNNXBMFYSA-N 2 0 291.439 2.192 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757145743 574510417 /nfs/dbraw/zinc/51/04/17/574510417.db2.gz QKLTUBVXQXIAFP-ZIAGYGMSSA-N 2 0 252.402 2.223 10 0 CEAERP CC[C@@H](O)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309930646 628165019 /nfs/dbraw/zinc/16/50/19/628165019.db2.gz VVVAGVNQLOJLNC-ZJPYXAASSA-N 2 0 288.435 2.258 10 0 CEAERP CC1(C)CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398953703 628766592 /nfs/dbraw/zinc/76/65/92/628766592.db2.gz AQZFYFHFPNKUHV-AWEZNQCLSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757242390 631843394 /nfs/dbraw/zinc/84/33/94/631843394.db2.gz YGKMCBURTUEQKF-MDZLAQPJSA-N 2 0 250.390 2.026 10 0 CEAERP C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151292849 639256464 /nfs/dbraw/zinc/25/64/64/639256464.db2.gz HMRABIBORWYMTE-UONOGXRCSA-N 2 0 288.501 2.343 10 0 CEAERP CN1CCc2c(c3ccccc3n2CC[NH+](C)C)C1 ZINC000003600656 343352643 /nfs/dbraw/zinc/35/26/43/343352643.db2.gz RIYIVPIUBSNDGF-UHFFFAOYSA-N 2 0 257.381 2.191 10 0 CEAERP [NH3+]CCCN1CC[NH+]([C@H]2CCCCc3ccccc32)CC1 ZINC000140954388 344399911 /nfs/dbraw/zinc/39/99/11/344399911.db2.gz FKSKQIYSXWUWRD-SFHVURJKSA-N 2 0 287.451 2.421 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000234806386 344587561 /nfs/dbraw/zinc/58/75/61/344587561.db2.gz ZGGBDMPQZKGRKM-SDDRHHMPSA-N 2 0 282.350 2.451 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cnc(Cl)nc2Cl)CC1 ZINC000257352908 344647555 /nfs/dbraw/zinc/64/75/55/344647555.db2.gz OCQGLCWRLONXOQ-KYZUINATSA-N 2 0 275.183 2.143 10 0 CEAERP [NH3+]CC[C@H]([NH3+])c1ccc(Cl)cc1Br ZINC000307024276 344719556 /nfs/dbraw/zinc/71/95/56/344719556.db2.gz YNNGYLATQKCRAI-VIFPVBQESA-N 2 0 263.566 2.451 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839656 344825193 /nfs/dbraw/zinc/82/51/93/344825193.db2.gz JSQVPIKDTDGGRV-DAXOMENPSA-N 2 0 267.376 2.404 10 0 CEAERP CC(C)(C)[C@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301822 179010665 /nfs/dbraw/zinc/01/06/65/179010665.db2.gz MHIVMMBNZBKVID-BBRMVZONSA-N 2 0 268.445 2.234 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085361425 179032961 /nfs/dbraw/zinc/03/29/61/179032961.db2.gz MQTWVHZJTAFXJU-GJZGRUSLSA-N 2 0 275.396 2.204 10 0 CEAERP CC(C)(C)NC(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403819 179053237 /nfs/dbraw/zinc/05/32/37/179053237.db2.gz RHTVLDDARLUPCA-HNNXBMFYSA-N 2 0 295.471 2.145 10 0 CEAERP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000085398044 179050265 /nfs/dbraw/zinc/05/02/65/179050265.db2.gz ZVTDNDFXTFWFCM-MJBXVCDLSA-N 2 0 254.418 2.121 10 0 CEAERP CCc1nc2c(n1[C@H](CC(C)C)C[NH+](C)C)CC[NH2+]C2 ZINC000085572643 179097576 /nfs/dbraw/zinc/09/75/76/179097576.db2.gz CPZPHUFDUZTDDD-CYBMUJFWSA-N 2 0 278.444 2.240 10 0 CEAERP CCCc1nc2c(n1[C@H](C)C[NH+](CC)CC)CC[NH2+]C2 ZINC000085573202 179098746 /nfs/dbraw/zinc/09/87/46/179098746.db2.gz ZUXNWYQGRLTKNS-CYBMUJFWSA-N 2 0 278.444 2.384 10 0 CEAERP CCCc1nc2c(n1[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573514 179099236 /nfs/dbraw/zinc/09/92/36/179099236.db2.gz ZKECFDCOBJDWTJ-CYBMUJFWSA-N 2 0 276.428 2.138 10 0 CEAERP CC(C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)[C@@H](C)CC[NH2+]1 ZINC000085618239 179103896 /nfs/dbraw/zinc/10/38/96/179103896.db2.gz PWPQWOCMGKYIGU-SOUVJXGZSA-N 2 0 254.418 2.264 10 0 CEAERP C([C@@H]1CCCO1)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085615147 179104511 /nfs/dbraw/zinc/10/45/11/179104511.db2.gz RKCCQPYBAHILQR-HOTGVXAUSA-N 2 0 266.429 2.410 10 0 CEAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000085675775 179112297 /nfs/dbraw/zinc/11/22/97/179112297.db2.gz VGYKFAKHERRGLH-XQLPTFJDSA-N 2 0 266.429 2.121 10 0 CEAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C12CCCC2 ZINC000085679940 179113144 /nfs/dbraw/zinc/11/31/44/179113144.db2.gz IHHQJRGRZPFNTB-RRFJBIMHSA-N 2 0 266.429 2.266 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636420 179109062 /nfs/dbraw/zinc/10/90/62/179109062.db2.gz RQVHFSGPDBXBLP-BARDWOONSA-N 2 0 266.429 2.120 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000111489759 136562197 /nfs/dbraw/zinc/56/21/97/136562197.db2.gz YQPVSSBAUIHYDD-OAHLLOKOSA-N 2 0 261.413 2.108 10 0 CEAERP CC[C@](C[NH3+])(C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086120760 179234527 /nfs/dbraw/zinc/23/45/27/179234527.db2.gz OABNIRHVGPHSBU-HOTGVXAUSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](C(C)C)C[NH2+]1 ZINC000086152543 179240567 /nfs/dbraw/zinc/24/05/67/179240567.db2.gz AJKJHOUKSZEKIO-GVDBMIGSSA-N 2 0 279.472 2.035 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086173253 179244751 /nfs/dbraw/zinc/24/47/51/179244751.db2.gz IWZTZLYHSKLYTH-ZNMIVQPWSA-N 2 0 255.450 2.035 10 0 CEAERP CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173679 179245006 /nfs/dbraw/zinc/24/50/06/179245006.db2.gz OQJFGPMQNNCZFT-IAGOWNOFSA-N 2 0 281.488 2.427 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H](c2ccccc2)C1 ZINC000086145843 179239228 /nfs/dbraw/zinc/23/92/28/179239228.db2.gz ASCQKZYBJUHQSK-SJORKVTESA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1CCC[NH+](C)C ZINC000086217774 179249723 /nfs/dbraw/zinc/24/97/23/179249723.db2.gz VNVADRSTBNIORB-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217847 179249768 /nfs/dbraw/zinc/24/97/68/179249768.db2.gz IAILPRMEEUTWHK-CQSZACIVSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@@H]1C[NH2+]C(CC)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217801 179250094 /nfs/dbraw/zinc/25/00/94/179250094.db2.gz JHNGHMCSJDVUGL-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP CCC1(CC)CN(CCC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000086217764 179250125 /nfs/dbraw/zinc/25/01/25/179250125.db2.gz WJPQPOXWNFBLJU-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223170 179251411 /nfs/dbraw/zinc/25/14/11/179251411.db2.gz HZQHXSJMIQOMLJ-ZACQAIPSSA-N 2 0 281.488 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223172 179252425 /nfs/dbraw/zinc/25/24/25/179252425.db2.gz JLGOWXVRPQLKJI-BZUAXINKSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@]1(C)CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223931 179253182 /nfs/dbraw/zinc/25/31/82/179253182.db2.gz PDLDUTANPPSWFT-PMPSAXMXSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259629 179259134 /nfs/dbraw/zinc/25/91/34/179259134.db2.gz GMIXWBXCYXNFQK-FVQBIDKESA-N 2 0 265.445 2.076 10 0 CEAERP C[N@@H+]1CCC[C@H](N2CCC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086288942 179264134 /nfs/dbraw/zinc/26/41/34/179264134.db2.gz XJXCSLWXIISUNK-IRXDYDNUSA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@H](C)[C@@H]1CN([C@@H]2CCC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086289412 179264156 /nfs/dbraw/zinc/26/41/56/179264156.db2.gz JZKGDSOYSJTQFV-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288751 179264507 /nfs/dbraw/zinc/26/45/07/179264507.db2.gz NZLZNLGVNODNNV-ZBFHGGJFSA-N 2 0 261.413 2.334 10 0 CEAERP CC(C)C[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291379 179265363 /nfs/dbraw/zinc/26/53/63/179265363.db2.gz GPZOAFLJEJZJTM-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@@H+]1CCC[C@H](CN2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291553 179266016 /nfs/dbraw/zinc/26/60/16/179266016.db2.gz BJUQTRHGIHPMHH-INIZCTEOSA-N 2 0 279.472 2.326 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000086291731 179266427 /nfs/dbraw/zinc/26/64/27/179266427.db2.gz SCLJCMJCELPXNU-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H]1CN(C2CC[NH+](C(C)C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086445385 179295179 /nfs/dbraw/zinc/29/51/79/179295179.db2.gz XLJMXTXEFNJQGJ-CABCVRRESA-N 2 0 267.461 2.322 10 0 CEAERP COC[C@@H](C(C)C)[N@@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC000086701772 179321681 /nfs/dbraw/zinc/32/16/81/179321681.db2.gz RHRHDZJINWUPLW-GJZGRUSLSA-N 2 0 256.434 2.225 10 0 CEAERP C[C@H]1CCC[C@@]1(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000086687915 179320020 /nfs/dbraw/zinc/32/00/20/179320020.db2.gz CORVPMCCMHEUCQ-RDJZCZTQSA-N 2 0 279.472 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+]2CC)CC1 ZINC000086835835 179349260 /nfs/dbraw/zinc/34/92/60/179349260.db2.gz LYKXFZVHUAEKKN-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH+](C)Cc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817297 179345104 /nfs/dbraw/zinc/34/51/04/179345104.db2.gz IOBOMMMEDQPXNX-KRWDZBQOSA-N 3 0 275.440 2.322 10 0 CEAERP CCC(CC)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817435 179345202 /nfs/dbraw/zinc/34/52/02/179345202.db2.gz AAABTIGNWLUIFL-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2CC)CC1 ZINC000086847389 179356719 /nfs/dbraw/zinc/35/67/19/179356719.db2.gz XIYTYSRJMWVSSR-JKSUJKDBSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842808 179353260 /nfs/dbraw/zinc/35/32/60/179353260.db2.gz NDOMMMGITFXIQI-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842890 179353558 /nfs/dbraw/zinc/35/35/58/179353558.db2.gz RSXBFVPUYUKWRK-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000086846530 179354984 /nfs/dbraw/zinc/35/49/84/179354984.db2.gz IXPGVFNZQMGBFS-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)CC)CC1 ZINC000086846847 179355016 /nfs/dbraw/zinc/35/50/16/179355016.db2.gz WHZJNOQTNCCNHA-GJZGRUSLSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846738 179355527 /nfs/dbraw/zinc/35/55/27/179355527.db2.gz VPDLNVCQAIBOER-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846187 179355673 /nfs/dbraw/zinc/35/56/73/179355673.db2.gz OPJDMAAKSSQRCG-GJZGRUSLSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCSC[C@@H]2C)CC1 ZINC000086848873 179358225 /nfs/dbraw/zinc/35/82/25/179358225.db2.gz WLHBJPDPMIYHNF-LSDHHAIUSA-N 2 0 285.501 2.016 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C(C)(C)CC)CC1 ZINC000086848846 179358602 /nfs/dbraw/zinc/35/86/02/179358602.db2.gz BEISKMFVXYFZEG-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851145 179359092 /nfs/dbraw/zinc/35/90/92/179359092.db2.gz LVMUWMFQSWDIBL-HUUCEWRRSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000086891451 179366218 /nfs/dbraw/zinc/36/62/18/179366218.db2.gz WKLFHSKKJRSIFZ-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086912000 179366790 /nfs/dbraw/zinc/36/67/90/179366790.db2.gz VZVGICVIZRCRGS-DOTOQJQBSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000087017733 179380783 /nfs/dbraw/zinc/38/07/83/179380783.db2.gz QZHDRGFSMYZDEL-KGLIPLIRSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000088277014 179574496 /nfs/dbraw/zinc/57/44/96/179574496.db2.gz XHAYZFPLNWUVRW-AWEZNQCLSA-N 2 0 297.487 2.377 10 0 CEAERP CCOc1ccccc1OCC[NH2+]CCCC[NH+](C)C ZINC000088400681 179592863 /nfs/dbraw/zinc/59/28/63/179592863.db2.gz HEEJRCKSRXTRFS-UHFFFAOYSA-N 2 0 280.412 2.396 10 0 CEAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355391 233176279 /nfs/dbraw/zinc/17/62/79/233176279.db2.gz OGJSLGPHCNVXEP-BURFUSLBSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090892501 180053980 /nfs/dbraw/zinc/05/39/80/180053980.db2.gz FMXZVSIQAVNOIJ-FZMZJTMJSA-N 2 0 266.360 2.059 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090894308 180056375 /nfs/dbraw/zinc/05/63/75/180056375.db2.gz LKQDEWNTZYQEKU-DOMZBBRYSA-N 2 0 278.371 2.190 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]CCCC[NH+](C)C)O2 ZINC000090897865 180057359 /nfs/dbraw/zinc/05/73/59/180057359.db2.gz PJANBSPMQQOQHN-HNNXBMFYSA-N 2 0 262.397 2.230 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906164 180061409 /nfs/dbraw/zinc/06/14/09/180061409.db2.gz NNIAEEIEMOXUHI-DFBGVHRSSA-N 2 0 276.380 2.078 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)[C@@H](C)c1cccs1 ZINC000091322802 180134668 /nfs/dbraw/zinc/13/46/68/180134668.db2.gz XHIANZNKDJGFNR-STQMWFEESA-N 2 0 297.468 2.327 10 0 CEAERP CC[N@@H+]1CCCC[C@@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275497 180118863 /nfs/dbraw/zinc/11/88/63/180118863.db2.gz CONOKKMHLFTANR-SWLSCSKDSA-N 2 0 262.401 2.340 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091430336 180152853 /nfs/dbraw/zinc/15/28/53/180152853.db2.gz IDBRWKVQLWLVEC-GFCCVEGCSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)CCC[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091429735 180153143 /nfs/dbraw/zinc/15/31/43/180153143.db2.gz FOHGKIMZMHFXLI-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@](C)(CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432599 180153592 /nfs/dbraw/zinc/15/35/92/180153592.db2.gz XLMYYMNHOZTUJT-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+]Cc1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C1CC1 ZINC000091432005 180153869 /nfs/dbraw/zinc/15/38/69/180153869.db2.gz WIBGEHBWIMIYNL-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091449870 180158087 /nfs/dbraw/zinc/15/80/87/180158087.db2.gz IXCCBEKEFBHXIK-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091459762 180160633 /nfs/dbraw/zinc/16/06/33/180160633.db2.gz JFESIEKAFORONL-WEIUDFCLSA-N 2 0 268.445 2.233 10 0 CEAERP CO[C@@H]1CCC[C@@H]([NH+]2CCC(C[NH3+])(SC)CC2)C1 ZINC000091474103 180165564 /nfs/dbraw/zinc/16/55/64/180165564.db2.gz ATWXCAMMMSELRL-CHWSQXEVSA-N 2 0 272.458 2.100 10 0 CEAERP CSC1(C[NH3+])CC[NH+](CCC[C@@H]2CCCO2)CC1 ZINC000091472976 180165760 /nfs/dbraw/zinc/16/57/60/180165760.db2.gz PFSOZGQHGUJLSD-CYBMUJFWSA-N 2 0 272.458 2.102 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091489422 180169282 /nfs/dbraw/zinc/16/92/82/180169282.db2.gz ANYGYRIZINNXOM-WEIUDFCLSA-N 2 0 268.445 2.103 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000091490738 180169849 /nfs/dbraw/zinc/16/98/49/180169849.db2.gz ZFFOQCHWUBQDJM-YMAMQOFZSA-N 2 0 256.434 2.105 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394204 180145735 /nfs/dbraw/zinc/14/57/35/180145735.db2.gz UYSXBAGPWGAERZ-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091394708 180146448 /nfs/dbraw/zinc/14/64/48/180146448.db2.gz ZOHKMOUUSGKBSN-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](CCOC)[C@@H](C)COC ZINC000091404227 180146909 /nfs/dbraw/zinc/14/69/09/180146909.db2.gz CXTTZYPDBGJDKW-GJZGRUSLSA-N 2 0 288.476 2.384 10 0 CEAERP CC[NH+]1CCC(N(C)CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091403876 180146953 /nfs/dbraw/zinc/14/69/53/180146953.db2.gz YTXKMMRMQSCYGL-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](CCO)C(CC)CC ZINC000091404079 180147604 /nfs/dbraw/zinc/14/76/04/180147604.db2.gz QIVYTNDVRDZHQX-ZDUSSCGKSA-N 2 0 258.450 2.494 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000091404997 180147619 /nfs/dbraw/zinc/14/76/19/180147619.db2.gz MCPXLFWUJUTTCJ-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]Cc2ccccc21 ZINC000091521035 180178081 /nfs/dbraw/zinc/17/80/81/180178081.db2.gz GHIQCMGRJCZTQF-JKSUJKDBSA-N 2 0 262.397 2.218 10 0 CEAERP CCC[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCC1 ZINC000091536106 180182333 /nfs/dbraw/zinc/18/23/33/180182333.db2.gz ALJMSAAYYQOPRA-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640493 180212901 /nfs/dbraw/zinc/21/29/01/180212901.db2.gz PPSJPNVJIVGIJR-CQSZACIVSA-N 2 0 252.402 2.149 10 0 CEAERP CC[NH2+][C@@H](CC[NH+](CC)CC)Cc1ncnn1C(C)C ZINC000091716700 180232075 /nfs/dbraw/zinc/23/20/75/180232075.db2.gz VYBSFMHUTRBRLX-AWEZNQCLSA-N 2 0 281.448 2.112 10 0 CEAERP CC[NH+](CC)CC[C@@H](Cc1c(Cl)c(C)nn1C)[NH2+]C ZINC000091716050 180232625 /nfs/dbraw/zinc/23/26/25/180232625.db2.gz SJIZRNGZGUBAMX-LBPRGKRZSA-N 2 0 286.851 2.244 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@H]1CN2CCC1CC2 ZINC000091851725 180272978 /nfs/dbraw/zinc/27/29/78/180272978.db2.gz XLAMLTYKYYSTMO-GPANFISMSA-N 2 0 265.445 2.063 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)N(CC)CC)C1CCC([NH3+])CC1 ZINC000091852534 180273028 /nfs/dbraw/zinc/27/30/28/180273028.db2.gz WFZLKWRAKQCEFR-NFOMZHRRSA-N 2 0 283.460 2.225 10 0 CEAERP C[N@H+](CCC(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091846329 180270647 /nfs/dbraw/zinc/27/06/47/180270647.db2.gz AFKREXALASOMKI-UHFFFAOYSA-N 2 0 281.444 2.027 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC[C@H]2CCCO2)CC1 ZINC000091870437 180276856 /nfs/dbraw/zinc/27/68/56/180276856.db2.gz IVANZAFJGVSVNJ-YMAMQOFZSA-N 2 0 254.418 2.408 10 0 CEAERP CC[C@@H]1CC[C@@](C[NH3+])(C2(O)CC[NH+](C(C)C)CC2)C1 ZINC000091906410 180284253 /nfs/dbraw/zinc/28/42/53/180284253.db2.gz JSFXOZWHFLKMAI-HUUCEWRRSA-N 2 0 268.445 2.377 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922719 180286931 /nfs/dbraw/zinc/28/69/31/180286931.db2.gz APJXZTRVICKPNR-OAHLLOKOSA-N 2 0 254.418 2.131 10 0 CEAERP CC[N@@H+]1CCO[C@@H](Cn2cc(C[NH2+]C)c3ccccc32)C1 ZINC000092060172 180315715 /nfs/dbraw/zinc/31/57/15/180315715.db2.gz NMFOVMPIGFJWJN-OAHLLOKOSA-N 2 0 287.407 2.081 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000092003638 180304415 /nfs/dbraw/zinc/30/44/15/180304415.db2.gz ADKDGIVFMWDWDR-SJORKVTESA-N 2 0 273.424 2.075 10 0 CEAERP CCC[NH2+]Cc1csc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092005045 180305763 /nfs/dbraw/zinc/30/57/63/180305763.db2.gz ZDAIDTRIIZWPNL-KGLIPLIRSA-N 2 0 294.468 2.316 10 0 CEAERP CCC[NH2+]CC1(C[NH+]2C[C@@H](C)[C@H](C)C2)CCOCC1 ZINC000092088579 180321643 /nfs/dbraw/zinc/32/16/43/180321643.db2.gz YWXXWXHFNRXDQL-HUUCEWRRSA-N 2 0 268.445 2.371 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092203744 180343241 /nfs/dbraw/zinc/34/32/41/180343241.db2.gz AOTCVCJMZFVAII-HIFRSBDPSA-N 2 0 287.407 2.370 10 0 CEAERP NC(=[NH2+])C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000092348165 180367671 /nfs/dbraw/zinc/36/76/71/180367671.db2.gz XCAAYHPUNRLUMP-UHFFFAOYSA-N 2 0 268.364 2.383 10 0 CEAERP CC[N@@H+]1CC[C@H](CNC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402267 180377687 /nfs/dbraw/zinc/37/76/87/180377687.db2.gz JZJLSWNHLFXLIE-VXGBXAGGSA-N 2 0 255.431 2.045 10 0 CEAERP C[N@H+](Cc1cc(Cl)ccn1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000092417350 180380839 /nfs/dbraw/zinc/38/08/39/180380839.db2.gz DNVMTALDCJHNCM-MFKMUULPSA-N 2 0 253.777 2.294 10 0 CEAERP CNc1cc[nH+]c(CN2CC[NH+](C(C)(C)C)CC2)c1 ZINC000092418814 180381517 /nfs/dbraw/zinc/38/15/17/180381517.db2.gz IPJOQMDJYHDFSM-UHFFFAOYSA-N 2 0 262.401 2.039 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000092419025 180382702 /nfs/dbraw/zinc/38/27/02/180382702.db2.gz HYUYQOSSUNXGBD-MRXNPFEDSA-N 2 0 276.428 2.430 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000107347642 186171070 /nfs/dbraw/zinc/17/10/70/186171070.db2.gz HVPBJHHUCMEGDG-MRXNPFEDSA-N 2 0 297.487 2.489 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1N(C)[C@H]1CCC[N@H+](C)C1 ZINC000109571568 186263854 /nfs/dbraw/zinc/26/38/54/186263854.db2.gz UDEYFNSSLJQUED-NEPJUHHUSA-N 2 0 265.376 2.376 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1cc(CO)[nH+]c2ccccc21 ZINC000109594780 186265138 /nfs/dbraw/zinc/26/51/38/186265138.db2.gz LDDVTODOITXNLH-CYBMUJFWSA-N 2 0 285.391 2.115 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000109603643 186266996 /nfs/dbraw/zinc/26/69/96/186266996.db2.gz SJPGBTGEOKZXQE-GJZGRUSLSA-N 2 0 282.428 2.169 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000110650144 186309793 /nfs/dbraw/zinc/30/97/93/186309793.db2.gz DKOVWHANBKOOCM-NSHDSACASA-N 2 0 259.353 2.387 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1F ZINC000110977864 186339448 /nfs/dbraw/zinc/33/94/48/186339448.db2.gz WXNUWGKYABPZHF-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704819 186313757 /nfs/dbraw/zinc/31/37/57/186313757.db2.gz YBNCGJMWYYCVIB-HOCLYGCPSA-N 2 0 275.440 2.409 10 0 CEAERP CC(C)Oc1ccc([C@H](C[NH3+])N2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110707730 186313867 /nfs/dbraw/zinc/31/38/67/186313867.db2.gz DJKFWWDJZNWUOQ-YOEHRIQHSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704907 186314942 /nfs/dbraw/zinc/31/49/42/186314942.db2.gz WPZXZWVNKPMRGH-GDBMZVCRSA-N 2 0 275.440 2.409 10 0 CEAERP CC[N@@H+]1CCN(C2(C[NH3+])CCCCCC2)C[C@@H]1C ZINC000110709464 186316159 /nfs/dbraw/zinc/31/61/59/186316159.db2.gz LRVWHNYIRQJRRF-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP COc1ccc(C)cc1[C@@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716392 186316455 /nfs/dbraw/zinc/31/64/55/186316455.db2.gz GFIHNCOTJBSSSM-HNNXBMFYSA-N 2 0 291.439 2.029 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716416 186316502 /nfs/dbraw/zinc/31/65/02/186316502.db2.gz PYIZHRHZGNQCAF-BBRMVZONSA-N 2 0 291.439 2.110 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110712158 186316767 /nfs/dbraw/zinc/31/67/67/186316767.db2.gz ZLSVEINZCXKXMK-MRXNPFEDSA-N 2 0 275.440 2.275 10 0 CEAERP C[C@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110751072 186322087 /nfs/dbraw/zinc/32/20/87/186322087.db2.gz BOLPNUCQPKGUOZ-LBPRGKRZSA-N 2 0 273.380 2.027 10 0 CEAERP CCOCC[N@H+](CC)C[C@@](C)(C[NH3+])c1ccccc1 ZINC000111123050 186355381 /nfs/dbraw/zinc/35/53/81/186355381.db2.gz AIEDKHWIKAFCMU-MRXNPFEDSA-N 2 0 264.413 2.261 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C(C)C)N(C)CC[NH+](C)C ZINC000111134226 186355885 /nfs/dbraw/zinc/35/58/85/186355885.db2.gz MSUKMPGXKMOULC-SJORKVTESA-N 2 0 277.456 2.465 10 0 CEAERP CN(CCC[NH+](C)C)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000111133166 186355936 /nfs/dbraw/zinc/35/59/36/186355936.db2.gz XRFNCRHPORRKQW-QGZVFWFLSA-N 2 0 275.440 2.060 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000111132463 186356173 /nfs/dbraw/zinc/35/61/73/186356173.db2.gz IGBZJYUHJYANIJ-ZDUSSCGKSA-N 2 0 289.345 2.199 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133655 186356503 /nfs/dbraw/zinc/35/65/03/186356503.db2.gz INGDZRHCVGLBDH-MRXNPFEDSA-N 2 0 263.429 2.132 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000111138000 186357634 /nfs/dbraw/zinc/35/76/34/186357634.db2.gz QSTSJPFDIXUBOR-UHFFFAOYSA-N 2 0 268.792 2.012 10 0 CEAERP Cc1nn(C)c(N(C)CCC[NH+](C)C)c1C[NH2+]C(C)(C)C ZINC000111140756 186357731 /nfs/dbraw/zinc/35/77/31/186357731.db2.gz IDBYDMXKEKVLQD-UHFFFAOYSA-N 2 0 295.475 2.005 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000111149421 186358461 /nfs/dbraw/zinc/35/84/61/186358461.db2.gz SPNFOZVGTWAPRB-UHFFFAOYSA-N 2 0 278.444 2.358 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCN(C)CCC[NH+](C)C)cc1 ZINC000111147896 186359581 /nfs/dbraw/zinc/35/95/81/186359581.db2.gz FYRBWHLAIFUBPB-INIZCTEOSA-N 2 0 263.429 2.268 10 0 CEAERP CC(C)C[NH2+]C[C@@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326072 186398618 /nfs/dbraw/zinc/39/86/18/186398618.db2.gz JOJZOJUESQFREF-MRXNPFEDSA-N 2 0 268.445 2.371 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)CC2CCC2)CCCOC1 ZINC000111328939 186399955 /nfs/dbraw/zinc/39/99/55/186399955.db2.gz JNXVOMHDJYNLSD-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000111265183 186381314 /nfs/dbraw/zinc/38/13/14/186381314.db2.gz NHKQNFRFZCHRCI-CJNGLKHVSA-N 2 0 287.407 2.076 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccncc3Br)C[C@@H]12 ZINC000629520421 351385940 /nfs/dbraw/zinc/38/59/40/351385940.db2.gz VZQQSDBZQKEJTF-IRUJWGPZSA-N 2 0 296.212 2.013 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccncc3Br)C[C@H]12 ZINC000629520422 351385959 /nfs/dbraw/zinc/38/59/59/351385959.db2.gz VZQQSDBZQKEJTF-SUZMYJTESA-N 2 0 296.212 2.013 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)ccc(Br)c1F ZINC000575440033 366287398 /nfs/dbraw/zinc/28/73/98/366287398.db2.gz RSOKQZJWRPRJRP-MRVPVSSYSA-N 2 0 279.128 2.466 10 0 CEAERP Cc1ccc([C@H](C)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151338148 366640023 /nfs/dbraw/zinc/64/00/23/366640023.db2.gz SFYGSMQDYYJRFN-DOTOQJQBSA-N 2 0 276.424 2.492 10 0 CEAERP CN(CCC[NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074142 364251103 /nfs/dbraw/zinc/25/11/03/364251103.db2.gz HUPLDORVGSXUED-UHFFFAOYSA-N 2 0 261.413 2.372 10 0 CEAERP CCCC[NH+]1CCC(NC(=O)[C@@H](CCC)[NH+](C)C)CC1 ZINC000162078602 367136458 /nfs/dbraw/zinc/13/64/58/367136458.db2.gz CNHFOERNDFJWIY-OAHLLOKOSA-N 2 0 283.460 2.097 10 0 CEAERP Cc1ccc(C)c(OCC[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842901 367582585 /nfs/dbraw/zinc/58/25/85/367582585.db2.gz HEUCPXNIENTIGG-GJZGRUSLSA-N 2 0 262.397 2.209 10 0 CEAERP CN(C)CC[NH+]1CCC(C[NH3+])(CCc2ccccc2)CC1 ZINC000219252836 370221156 /nfs/dbraw/zinc/22/11/56/370221156.db2.gz KMZNRQVPMNFOMY-UHFFFAOYSA-N 2 0 289.467 2.222 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@H]12 ZINC000261601254 371672537 /nfs/dbraw/zinc/67/25/37/371672537.db2.gz BSCSHSJNURZPPY-HYVNUMGLSA-N 2 0 282.391 2.041 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000261562745 371649926 /nfs/dbraw/zinc/64/99/26/371649926.db2.gz WOBMZNDDWCGTMD-CYBMUJFWSA-N 2 0 251.761 2.233 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@@H]12 ZINC000261721540 371710845 /nfs/dbraw/zinc/71/08/45/371710845.db2.gz KFYMQUMKPGFUSL-FVQBIDKESA-N 2 0 267.376 2.404 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000261792277 371734437 /nfs/dbraw/zinc/73/44/37/371734437.db2.gz GHFVTQIKRMWCOM-YDHLFZDLSA-N 2 0 278.371 2.394 10 0 CEAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC[C@H](C)C1 ZINC000261927692 371772482 /nfs/dbraw/zinc/77/24/82/371772482.db2.gz LEHHLRIKAVTNIE-ZNMIVQPWSA-N 2 0 254.418 2.123 10 0 CEAERP CCN1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000389460847 375303698 /nfs/dbraw/zinc/30/36/98/375303698.db2.gz SCLBFMMJFOUHIQ-GFCCVEGCSA-N 2 0 276.409 2.322 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000423109814 377003324 /nfs/dbraw/zinc/00/33/24/377003324.db2.gz UZVSJXHCKAXWLT-RJZRQDKASA-N 2 0 254.418 2.297 10 0 CEAERP CC[N@H+](CCO)CCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000302228811 379337830 /nfs/dbraw/zinc/33/78/30/379337830.db2.gz VSYCQAPURTTYEG-UHFFFAOYSA-N 2 0 291.370 2.408 10 0 CEAERP [NH3+][C@H]1CCC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000093224403 184656876 /nfs/dbraw/zinc/65/68/76/184656876.db2.gz UWPQDQFEHVINHO-GOEBONIOSA-N 2 0 265.445 2.207 10 0 CEAERP CC[C@@]1(C)C[C@H]([NH+]2CCC(OCCC[NH3+])CC2)CCO1 ZINC000094070394 184753499 /nfs/dbraw/zinc/75/34/99/184753499.db2.gz CLSGSSXNLIQNQU-ZBFHGGJFSA-N 2 0 284.444 2.164 10 0 CEAERP C[NH2+][C@@H]1[C@@H](N2CC[NH+](C3CCCC3)CC2)CCC1(C)C ZINC000094305576 184778178 /nfs/dbraw/zinc/77/81/78/184778178.db2.gz INQDPDMITMOVHS-JKSUJKDBSA-N 2 0 279.472 2.323 10 0 CEAERP C[NH+](C)CCCC[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094371347 184790447 /nfs/dbraw/zinc/79/04/47/184790447.db2.gz DAXPCYHYOAKLCZ-AWEZNQCLSA-N 2 0 286.485 2.363 10 0 CEAERP CC(C)C[C@H](C[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000094699450 184842225 /nfs/dbraw/zinc/84/22/25/184842225.db2.gz AAQYEAVJESFFMM-CVEARBPZSA-N 2 0 291.439 2.027 10 0 CEAERP CN(CCC[NH3+])C(=O)CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000094857873 184882957 /nfs/dbraw/zinc/88/29/57/184882957.db2.gz ZAMBWOSJTICXMF-UHFFFAOYSA-N 2 0 283.460 2.084 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000091546086 135072298 /nfs/dbraw/zinc/07/22/98/135072298.db2.gz ZYCIYVVCGVYLKR-JKSUJKDBSA-N 2 0 273.424 2.244 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000423027997 394884736 /nfs/dbraw/zinc/88/47/36/394884736.db2.gz SETUTBIUCYQKRE-IGQOVBAYSA-N 2 0 254.418 2.168 10 0 CEAERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1Cl ZINC000415091314 394886011 /nfs/dbraw/zinc/88/60/11/394886011.db2.gz YWXGIWJAKZCZAS-JQWIXIFHSA-N 2 0 268.788 2.436 10 0 CEAERP Cn1cc([C@H]2CCC[N@@H+]2CCCC2CC[NH2+]CC2)cn1 ZINC000383291585 395184815 /nfs/dbraw/zinc/18/48/15/395184815.db2.gz LFNZOTPBWHHOGS-MRXNPFEDSA-N 2 0 276.428 2.337 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000575372941 395661186 /nfs/dbraw/zinc/66/11/86/395661186.db2.gz JSZSJVZGSFKTNQ-OCCSQVGLSA-N 2 0 250.361 2.346 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCCCC3(F)F)C[C@H]12 ZINC000394502013 400549844 /nfs/dbraw/zinc/54/98/44/400549844.db2.gz RCESKRBSDBLXHU-FVCCEPFGSA-N 2 0 258.356 2.481 10 0 CEAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000218921231 153300872 /nfs/dbraw/zinc/30/08/72/153300872.db2.gz SJWLTQUGRVXCIV-LSDHHAIUSA-N 2 0 295.471 2.275 10 0 CEAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCC1 ZINC000178897617 165262833 /nfs/dbraw/zinc/26/28/33/165262833.db2.gz SBTDVPUSJAWUSO-CQSZACIVSA-N 2 0 266.433 2.163 10 0 CEAERP CC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000020129267 171017290 /nfs/dbraw/zinc/01/72/90/171017290.db2.gz HZECSOKSXQCSDI-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccccc2OCC)CC1 ZINC000020179694 171044363 /nfs/dbraw/zinc/04/43/63/171044363.db2.gz PFOOALLHUXKARY-MRXNPFEDSA-N 2 0 291.439 2.113 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)c1 ZINC000020179465 171044595 /nfs/dbraw/zinc/04/45/95/171044595.db2.gz VKOZWOXMYJTPJA-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@@H]1C ZINC000022152890 171360018 /nfs/dbraw/zinc/36/00/18/171360018.db2.gz ZYMOCJNIMHDLEL-STQMWFEESA-N 2 0 275.396 2.347 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCCCCC1 ZINC000022153634 171360524 /nfs/dbraw/zinc/36/05/24/171360524.db2.gz MELDXPPRATWCFB-CYBMUJFWSA-N 2 0 275.396 2.348 10 0 CEAERP CCC[NH+]1CCN(C[C@H]([NH3+])c2cc(C)ccc2OC)CC1 ZINC000022565338 171391740 /nfs/dbraw/zinc/39/17/40/171391740.db2.gz HFGDRCLEZVHSHJ-INIZCTEOSA-N 2 0 291.439 2.031 10 0 CEAERP CC[NH+](CC)CCCN[C@H](C)[C@H]1CCC[N@H+](CC)C1 ZINC000037209988 173031973 /nfs/dbraw/zinc/03/19/73/173031973.db2.gz WKJPIFAVUBCQDL-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)C1 ZINC000040672690 174370643 /nfs/dbraw/zinc/37/06/43/174370643.db2.gz YBXDWABRYNAJKV-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CSCC[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693735 174377944 /nfs/dbraw/zinc/37/79/44/174377944.db2.gz GAVFSOANENZEJC-OAHLLOKOSA-N 2 0 285.501 2.017 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cccn2)cc1 ZINC000040750308 174394807 /nfs/dbraw/zinc/39/48/07/174394807.db2.gz KBCPOQHKBUYOQA-ZXFUBFMLSA-N 2 0 282.391 2.326 10 0 CEAERP CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000040770196 174399935 /nfs/dbraw/zinc/39/99/35/174399935.db2.gz YFZQYPUNRMUGEO-OAGGEKHMSA-N 2 0 269.477 2.283 10 0 CEAERP COc1cccnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000128351918 414809024 /nfs/dbraw/zinc/80/90/24/414809024.db2.gz JFIILLKNJKRZJM-CYBMUJFWSA-N 2 0 261.369 2.059 10 0 CEAERP Cc1cc2c(n1C[C@H]1CCC[N@@H+](C)C1)CCC[C@@H]2[NH3+] ZINC000041733359 174620446 /nfs/dbraw/zinc/62/04/46/174620446.db2.gz VISXJEUJBBGZHY-ZFWWWQNUSA-N 2 0 261.413 2.474 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC([NH+](C)C)CC1 ZINC000042914469 174912756 /nfs/dbraw/zinc/91/27/56/174912756.db2.gz BZBMQRYHJNPSQJ-BLLLJJGKSA-N 2 0 279.403 2.240 10 0 CEAERP c1ccc([C@H](CN[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000043324491 175007123 /nfs/dbraw/zinc/00/71/23/175007123.db2.gz ZPEDGGOLPPUVNF-SJORKVTESA-N 2 0 273.424 2.165 10 0 CEAERP CCC[NH+]1CCN([C@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043363775 175024079 /nfs/dbraw/zinc/02/40/79/175024079.db2.gz JWNJVIJNNSONQL-ZFWWWQNUSA-N 2 0 265.401 2.004 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccc(C)cc1C ZINC000043810789 175110379 /nfs/dbraw/zinc/11/03/79/175110379.db2.gz RDPUUQLDIOFSHG-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1 ZINC000043818302 175112839 /nfs/dbraw/zinc/11/28/39/175112839.db2.gz IOGNDAVZLTZDQH-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896908 175119721 /nfs/dbraw/zinc/11/97/21/175119721.db2.gz WGXHTUBNZKYTRK-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000043897059 175120115 /nfs/dbraw/zinc/12/01/15/175120115.db2.gz RHOMWHRAHDEQPB-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043897195 175120189 /nfs/dbraw/zinc/12/01/89/175120189.db2.gz IJNPSYUXCVISCI-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897568 175120366 /nfs/dbraw/zinc/12/03/66/175120366.db2.gz QSTXDZGLZUIQCQ-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907808 175123259 /nfs/dbraw/zinc/12/32/59/175123259.db2.gz WGRWUSXWUZIWMA-SJORKVTESA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967569 175128531 /nfs/dbraw/zinc/12/85/31/175128531.db2.gz QBTUOGWYLUXUFU-CRAIPNDOSA-N 2 0 287.451 2.424 10 0 CEAERP CCc1ccc([C@@H](CN2CC[NH+](C3CC3)CC2)[NH2+]C)cc1 ZINC000043967600 175128785 /nfs/dbraw/zinc/12/87/85/175128785.db2.gz KMCSREHNGXLIIW-GOSISDBHSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH+]1CCC(CNC(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044764393 175248473 /nfs/dbraw/zinc/24/84/73/175248473.db2.gz RDZBKEAQXIBKRL-UHFFFAOYSA-N 2 0 295.471 2.134 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000044808428 175256945 /nfs/dbraw/zinc/25/69/45/175256945.db2.gz AGSUPGFOOBWJBA-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP C[C@H](CNC1=[NH+]C[C@@H](c2ccccc2)S1)[NH+](C)C ZINC000045108734 175308736 /nfs/dbraw/zinc/30/87/36/175308736.db2.gz DJOGOWISPFTNJH-YPMHNXCESA-N 2 0 263.410 2.370 10 0 CEAERP CC(C)CCOCC[N@@H+]1CC[C@@H](C)[NH2+]C[C@@H](C)C1 ZINC000045109371 175309191 /nfs/dbraw/zinc/30/91/91/175309191.db2.gz CHXITXMEDYLILC-HUUCEWRRSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)CCOCC[NH+]1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000045109376 175309466 /nfs/dbraw/zinc/30/94/66/175309466.db2.gz HTLXONJLOVKBLC-GJZGRUSLSA-N 2 0 256.434 2.227 10 0 CEAERP CC[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000045113989 175311154 /nfs/dbraw/zinc/31/11/54/175311154.db2.gz JBFZYUFFIMZWJM-OLZOCXBDSA-N 2 0 292.427 2.429 10 0 CEAERP CC[C@H]1CSC(NC[C@@H]2CC[N@@H+](C(C)C)C2)=[NH+]1 ZINC000045136105 175313354 /nfs/dbraw/zinc/31/33/54/175313354.db2.gz FSDHSVFNMKMBTR-RYUDHWBXSA-N 2 0 255.431 2.188 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2c(C)nn(C)c2C)C1 ZINC000045171408 175320857 /nfs/dbraw/zinc/32/08/57/175320857.db2.gz ORKBGXVJKPDODB-FZMZJTMJSA-N 2 0 264.417 2.029 10 0 CEAERP CCC[NH+](CCC)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045378642 175367665 /nfs/dbraw/zinc/36/76/65/175367665.db2.gz STORSOAVHXQOCV-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CCCC1 ZINC000045390664 175374282 /nfs/dbraw/zinc/37/42/82/175374282.db2.gz BZBYWEDNNUHFJL-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccccc2)C1 ZINC000070941101 176014624 /nfs/dbraw/zinc/01/46/24/176014624.db2.gz ISEDWODTYHSBCR-HZPDHXFCSA-N 2 0 290.407 2.004 10 0 CEAERP CC[C@@H](CC[NH3+])N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000070988417 176018689 /nfs/dbraw/zinc/01/86/89/176018689.db2.gz HXOPOMRYCVBNAN-WBVHZDCISA-N 2 0 275.440 2.493 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(CC[NH+](C(C)C)C(C)C)C1=O ZINC000071036171 176025567 /nfs/dbraw/zinc/02/55/67/176025567.db2.gz QDDLLCNVCMLYPK-OAHLLOKOSA-N 2 0 283.460 2.094 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1OCCc2ccccc21 ZINC000071044967 176029765 /nfs/dbraw/zinc/02/97/65/176029765.db2.gz SMNWFFJYFUHVPW-MRXNPFEDSA-N 2 0 276.424 2.478 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071162215 176046541 /nfs/dbraw/zinc/04/65/41/176046541.db2.gz HTRRETKXEXMOSI-YESZJQIVSA-N 2 0 279.472 2.454 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188332 176062691 /nfs/dbraw/zinc/06/26/91/176062691.db2.gz IHSPZFMBWSYYHK-NVXWUHKLSA-N 2 0 275.440 2.187 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188892 176063710 /nfs/dbraw/zinc/06/37/10/176063710.db2.gz QEEHYHXHMLUPEX-ZTFGCOKTSA-N 2 0 287.451 2.145 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000071189297 176064352 /nfs/dbraw/zinc/06/43/52/176064352.db2.gz UVFOIYLVRDKVNZ-JTQLQIEISA-N 2 0 280.803 2.012 10 0 CEAERP CCC[NH2+][C@@H](C)CCC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071188978 176064691 /nfs/dbraw/zinc/06/46/91/176064691.db2.gz CCDFZBYFYFFLKO-GJZGRUSLSA-N 3 0 255.450 2.038 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191380 176070692 /nfs/dbraw/zinc/07/06/92/176070692.db2.gz YSZJRHVRDJCJBL-BRWVUGGUSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191420 176070807 /nfs/dbraw/zinc/07/08/07/176070807.db2.gz SZLBMDOQSOATGM-CVEARBPZSA-N 2 0 269.477 2.286 10 0 CEAERP CCC[NH2+]Cc1ccc(CN(C)C[C@H]2CC[N@H+](C)C2)o1 ZINC000071191957 176072401 /nfs/dbraw/zinc/07/24/01/176072401.db2.gz INAPYWHKQHZLCV-AWEZNQCLSA-N 2 0 279.428 2.163 10 0 CEAERP CCC[NH2+][C@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1 ZINC000071200871 176077781 /nfs/dbraw/zinc/07/77/81/176077781.db2.gz WJHSQWIOFUKTBI-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H]1CCCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200578 176077855 /nfs/dbraw/zinc/07/78/55/176077855.db2.gz IJKWYEBEPNQQSH-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CCc1ccc(C[N@H+](CCC[NH3+])CCOC)cc1 ZINC000071224540 176088542 /nfs/dbraw/zinc/08/85/42/176088542.db2.gz GFVTYGFJWJPJGC-UHFFFAOYSA-N 2 0 250.386 2.046 10 0 CEAERP CCC[NH2+]CCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000071289925 176110183 /nfs/dbraw/zinc/11/01/83/176110183.db2.gz WMKZFUFTMNFSBP-UHFFFAOYSA-N 2 0 264.417 2.259 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)N(C)CC[NH+]1CCCC1 ZINC000079242157 177454840 /nfs/dbraw/zinc/45/48/40/177454840.db2.gz YYXNPJKYVZFDCO-OAHLLOKOSA-N 2 0 283.460 2.086 10 0 CEAERP CC(C)[C@H]([NH3+])CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000136335795 419444695 /nfs/dbraw/zinc/44/46/95/419444695.db2.gz GDSSVSDLSOSCDJ-CQSZACIVSA-N 2 0 263.385 2.060 10 0 CEAERP [NH3+]CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390531498 262210310 /nfs/dbraw/zinc/21/03/10/262210310.db2.gz DXHUJALJXHWYOZ-ALOPSCKCSA-N 2 0 273.424 2.120 10 0 CEAERP CCC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000187682645 270255649 /nfs/dbraw/zinc/25/56/49/270255649.db2.gz CUKVBWHLPLCGGI-UONOGXRCSA-N 2 0 256.434 2.200 10 0 CEAERP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098042 270835006 /nfs/dbraw/zinc/83/50/06/270835006.db2.gz JUMWREJQLZLYJX-AIEDFZFUSA-N 2 0 254.418 2.310 10 0 CEAERP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCO[C@@H](CN(C)C)C1 ZINC000248482427 280349776 /nfs/dbraw/zinc/34/97/76/280349776.db2.gz IWPBASLFPOHIFD-KFWWJZLASA-N 2 0 254.418 2.075 10 0 CEAERP CC1(C)C[N@H+](CCCOCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000310683429 281235914 /nfs/dbraw/zinc/23/59/14/281235914.db2.gz SVZGMMQIMOSXSJ-JTQLQIEISA-N 2 0 268.323 2.015 10 0 CEAERP CC[C@](C)(O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000249398464 281291174 /nfs/dbraw/zinc/29/11/74/281291174.db2.gz SFMPEBMRKUWOLL-CABCVRRESA-N 2 0 254.418 2.098 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571558 519815911 /nfs/dbraw/zinc/81/59/11/519815911.db2.gz JFWYKTSGIFSPJC-HNNXBMFYSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572401 519913430 /nfs/dbraw/zinc/91/34/30/519913430.db2.gz QMFSYLSASGHAAN-GJZGRUSLSA-N 2 0 274.449 2.138 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503418 519918830 /nfs/dbraw/zinc/91/88/30/519918830.db2.gz RBYVVUANWGLKLP-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[NH+](CC(C)C)CC2)s1 ZINC000055076340 519963297 /nfs/dbraw/zinc/96/32/97/519963297.db2.gz PQQOFIFVQPURTI-UHFFFAOYSA-N 2 0 296.484 2.421 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054997451 519975714 /nfs/dbraw/zinc/97/57/14/519975714.db2.gz MOEVTMXFEXUSPB-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN1CC[NH+](CC(C)C)CC1 ZINC000055078659 519993597 /nfs/dbraw/zinc/99/35/97/519993597.db2.gz VISNIBBYHIXGKV-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1ccc(COC2CC[NH+](C)CC2)cc1 ZINC000052596837 519994399 /nfs/dbraw/zinc/99/43/99/519994399.db2.gz QNOGUAACXDRTQR-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](CCOC)[C@H](C)COC)cc1C ZINC000052572470 520027221 /nfs/dbraw/zinc/02/72/21/520027221.db2.gz XOMDNMMZUXVERL-CQSZACIVSA-N 2 0 298.427 2.181 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](CCC[C@@H]2CCC[NH2+]2)C1 ZINC000052764494 520270638 /nfs/dbraw/zinc/27/06/38/520270638.db2.gz JVRGWNIOLZVUQN-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CCC(C)(C)[N@H+](C)C[C@H](O)COc1ccc(C[NH3+])cc1 ZINC000069429407 521305094 /nfs/dbraw/zinc/30/50/94/521305094.db2.gz IPUPLAOEHQFACR-AWEZNQCLSA-N 2 0 280.412 2.005 10 0 CEAERP CCCc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)sc1C[NH2+]C ZINC000054998309 521528395 /nfs/dbraw/zinc/52/83/95/521528395.db2.gz BXFSMHMYTMVNGE-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C)oc1C ZINC000052544271 521656320 /nfs/dbraw/zinc/65/63/20/521656320.db2.gz BBSVUZZVRPWFQM-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH2+]C(C)C)C(C)C ZINC000052544101 521657485 /nfs/dbraw/zinc/65/74/85/521657485.db2.gz OWJQELOXKZRMCD-OAHLLOKOSA-N 2 0 257.466 2.283 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCCC[C@H](C)[NH2+]C)CC1 ZINC000055065107 522117784 /nfs/dbraw/zinc/11/77/84/522117784.db2.gz GZHUZHILKFJLOS-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+]Cc1coc(C[N@H+](CCOC)[C@@H](C)C2CC2)c1 ZINC000052545399 522149895 /nfs/dbraw/zinc/14/98/95/522149895.db2.gz NDPXHPMLCQYOHV-LBPRGKRZSA-N 2 0 266.385 2.246 10 0 CEAERP C[C@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412322 533810757 /nfs/dbraw/zinc/81/07/57/533810757.db2.gz UKNDUZSHAZJHDC-DOTOQJQBSA-N 2 0 287.451 2.239 10 0 CEAERP C[NH2+][C@H](C)c1cnc(N(CC[NH+](C)C)CC(C)C)s1 ZINC000054906368 522454455 /nfs/dbraw/zinc/45/44/55/522454455.db2.gz TYCFTUQWLQNRIM-GFCCVEGCSA-N 2 0 284.473 2.448 10 0 CEAERP C[C@H]([NH2+]Cc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400545966 533932197 /nfs/dbraw/zinc/93/21/97/533932197.db2.gz WBFTUECCYXFGCW-JSGCOSHPSA-N 2 0 255.365 2.322 10 0 CEAERP CC(C)(C)C1CC[NH+](CCN2CCC[NH2+]CC2)CC1 ZINC000061275796 518607647 /nfs/dbraw/zinc/60/76/47/518607647.db2.gz VJYWKIKMHLBPQD-UHFFFAOYSA-N 2 0 267.461 2.040 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069311265 518761738 /nfs/dbraw/zinc/76/17/38/518761738.db2.gz NZKQQMDFCZFRDS-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@H](C)C[NH2+]C(C)C ZINC000052503298 519716108 /nfs/dbraw/zinc/71/61/08/519716108.db2.gz ANMCZYPZXLKANA-OAHLLOKOSA-N 2 0 257.466 2.140 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483154 519723484 /nfs/dbraw/zinc/72/34/84/519723484.db2.gz BMFHVEZWPGTORS-IRXDYDNUSA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444970 519723752 /nfs/dbraw/zinc/72/37/52/519723752.db2.gz OSHVQUBZHNSITG-LSDHHAIUSA-N 2 0 254.418 2.406 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000055076102 519725974 /nfs/dbraw/zinc/72/59/74/519725974.db2.gz MYLRSZHHZJSVND-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[NH2+]Cc1cc(OCC[NH+]2CCCCC2)ccn1 ZINC000051549045 519726742 /nfs/dbraw/zinc/72/67/42/519726742.db2.gz VACBXIIFQHJRHI-UHFFFAOYSA-N 2 0 277.412 2.444 10 0 CEAERP CC(C)[NH2+]Cc1cc(OC2CC[NH+](C)CC2)ccn1 ZINC000051522110 519726819 /nfs/dbraw/zinc/72/68/19/519726819.db2.gz VYHVTJDDHXZZJE-UHFFFAOYSA-N 2 0 263.385 2.053 10 0 CEAERP CC(C)[NH2+]Cc1ccc(OCCOCC[NH+](C)C)cc1 ZINC000052669686 519727241 /nfs/dbraw/zinc/72/72/41/519727241.db2.gz IRCRGJHSJFWKFY-UHFFFAOYSA-N 2 0 280.412 2.142 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654319 519727372 /nfs/dbraw/zinc/72/73/72/519727372.db2.gz OCUNMCGOPTUPTM-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000055079045 519728128 /nfs/dbraw/zinc/72/81/28/519728128.db2.gz JNDUQWXNCHKQIQ-WBVHZDCISA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573486 519745827 /nfs/dbraw/zinc/74/58/27/519745827.db2.gz NPWZMHGVATUGKT-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)N(CC[NH+](C)C)CC(C)C ZINC000052503272 519745835 /nfs/dbraw/zinc/74/58/35/519745835.db2.gz YBOOVXMUMKVNIL-HNNXBMFYSA-N 2 0 257.466 2.140 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)o1 ZINC000052424199 519747089 /nfs/dbraw/zinc/74/70/89/519747089.db2.gz UFAGYWUNVFBZIC-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)nc1 ZINC000061654231 519747240 /nfs/dbraw/zinc/74/72/40/519747240.db2.gz RKSHGNKNSRVHGJ-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1nc(CN2CCC[N@H+](C)CC2)cs1 ZINC000052424069 519748299 /nfs/dbraw/zinc/74/82/99/519748299.db2.gz HNHYLBPTCBDMFF-UHFFFAOYSA-N 2 0 296.484 2.026 10 0 CEAERP CCC[NH+]1CCC(NC(=O)C2(CCC)CC[NH2+]CC2)CC1 ZINC000062849719 519845053 /nfs/dbraw/zinc/84/50/53/519845053.db2.gz UJNKDKRWBKQASA-UHFFFAOYSA-N 2 0 295.471 2.147 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@@H+]1CC ZINC000054603229 519908522 /nfs/dbraw/zinc/90/85/22/519908522.db2.gz WCNYIGGRORFZDS-HMQMGEFJSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763377 519908555 /nfs/dbraw/zinc/90/85/55/519908555.db2.gz OOFRBKWMOQAREP-CQSZACIVSA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC[C@@H]1OC ZINC000054628532 519910539 /nfs/dbraw/zinc/91/05/39/519910539.db2.gz SRKSVUGPJBITJY-ZKXZWOTCSA-N 2 0 252.402 2.159 10 0 CEAERP CCC[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000048784506 519913023 /nfs/dbraw/zinc/91/30/23/519913023.db2.gz HTBLJYIOWPYIPI-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C2CCCC2)O1 ZINC000052444966 519924476 /nfs/dbraw/zinc/92/44/76/519924476.db2.gz JCXGEUGLKKIBIT-GJZGRUSLSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCC[C@@H]2C)O1 ZINC000052379023 519938531 /nfs/dbraw/zinc/93/85/31/519938531.db2.gz OLJZCHXBBOXSPP-RRFJBIMHSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]Cc1cc(C)nc(CC[NH+](CC)CC)n1 ZINC000054831434 519945819 /nfs/dbraw/zinc/94/58/19/519945819.db2.gz NTWRAWVCRIOCEV-UHFFFAOYSA-N 2 0 264.417 2.169 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@H](C)COC)oc1C ZINC000052511468 519986728 /nfs/dbraw/zinc/98/67/28/519986728.db2.gz JEONLJRIPZMZTF-LLVKDONJSA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374503 519981012 /nfs/dbraw/zinc/98/10/12/519981012.db2.gz UIAKBVWWHRIGRN-HZPDHXFCSA-N 2 0 260.381 2.159 10 0 CEAERP CC[NH2+]Cc1c(C)cc(C)nc1N1CCC[C@H]1C[NH+](C)C ZINC000061654190 519983135 /nfs/dbraw/zinc/98/31/35/519983135.db2.gz GFROWTPCXMTHOO-HNNXBMFYSA-N 2 0 290.455 2.338 10 0 CEAERP CC[NH2+]Cc1cc(COCCC[NH+](C)C)oc1C ZINC000052672346 519989450 /nfs/dbraw/zinc/98/94/50/519989450.db2.gz QEFZCJQKQPYPGL-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CC)[C@@H](C)COC)o1 ZINC000052504792 519995040 /nfs/dbraw/zinc/99/50/40/519995040.db2.gz RNWAOZREJWQSEP-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)[C@@H](C)COC)cc1 ZINC000052511659 519999478 /nfs/dbraw/zinc/99/94/78/519999478.db2.gz GXZHEXCUKMSGCC-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP CC[NH2+]Cc1cccc(OCC[N@H+](C)[C@H](C)COC)c1 ZINC000052511641 520007215 /nfs/dbraw/zinc/00/72/15/520007215.db2.gz LMQNEHMPYAKEKB-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CC[NH2+]Cc1ccccc1COCCC[NH+](C)C ZINC000052672688 520009344 /nfs/dbraw/zinc/00/93/44/520009344.db2.gz QUDZVLNPGXVQII-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]Cc1cccnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055073347 520010708 /nfs/dbraw/zinc/01/07/08/520010708.db2.gz QJGMVKVPBFEKJH-AWEZNQCLSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1occc1C[N@@H+]1CCCSCC1 ZINC000052371057 520030718 /nfs/dbraw/zinc/03/07/18/520030718.db2.gz PUHQIQDKSCGAJP-UHFFFAOYSA-N 2 0 254.399 2.328 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912273 520035213 /nfs/dbraw/zinc/03/52/13/520035213.db2.gz VWICYSMKBQOXDX-KRWDZBQOSA-N 2 0 289.423 2.026 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061272269 520060150 /nfs/dbraw/zinc/06/01/50/520060150.db2.gz YYTLHBSURSMFMR-HNNXBMFYSA-N 2 0 285.476 2.201 10 0 CEAERP CC[NH2+][C@H](C)c1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054899079 520182540 /nfs/dbraw/zinc/18/25/40/520182540.db2.gz QVIPZZXOFVHSAF-LLVKDONJSA-N 2 0 282.457 2.264 10 0 CEAERP CCCC[NH2+]C[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055075280 520691742 /nfs/dbraw/zinc/69/17/42/520691742.db2.gz LOKFHOISOTZNRC-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055079235 521153660 /nfs/dbraw/zinc/15/36/60/521153660.db2.gz RPRGYKYSRRONJE-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@H+](C[C@@H]1CCCO1)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052182544 521226654 /nfs/dbraw/zinc/22/66/54/521226654.db2.gz VWZHOFYDAZQDPH-INIZCTEOSA-N 2 0 298.471 2.282 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000069379695 521253030 /nfs/dbraw/zinc/25/30/30/521253030.db2.gz NGNDKFABZCPPFV-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000069380897 521253549 /nfs/dbraw/zinc/25/35/49/521253549.db2.gz NLSMZSIMZKNHES-HUUCEWRRSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@H+](C[C@H]1CC[C@H](C[NH2+]C(C)(C)C)O1)C1CC1 ZINC000052452242 521273897 /nfs/dbraw/zinc/27/38/97/521273897.db2.gz SXWFHEYXQVECFI-ZIAGYGMSSA-N 2 0 254.418 2.406 10 0 CEAERP CCCc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH2+]C ZINC000054998310 521529763 /nfs/dbraw/zinc/52/97/63/521529763.db2.gz BXFSMHMYTMVNGE-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000062999815 521581960 /nfs/dbraw/zinc/58/19/60/521581960.db2.gz PZTOTDDZCSPKQT-PBHICJAKSA-N 2 0 276.424 2.430 10 0 CEAERP CCN1CC[NH+]([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052422446 521694024 /nfs/dbraw/zinc/69/40/24/521694024.db2.gz OMXYUHPIPAUTHY-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1nc(C[NH3+])cc2ccccc21 ZINC000061654338 521844984 /nfs/dbraw/zinc/84/49/84/521844984.db2.gz GNTHHFHFLHJDRY-HNNXBMFYSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1ccccc1C[NH2+]C1CC1 ZINC000061646024 521845943 /nfs/dbraw/zinc/84/59/43/521845943.db2.gz OLGQBSFMVPQDKA-INIZCTEOSA-N 2 0 273.424 2.469 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1cccnc1 ZINC000054602171 521952982 /nfs/dbraw/zinc/95/29/82/521952982.db2.gz QDXIKLSIKLHNBJ-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)Cc2cccc(OC)c2)CCOCC1 ZINC000052198196 521965046 /nfs/dbraw/zinc/96/50/46/521965046.db2.gz ZNWWZYRGRPTVFD-UHFFFAOYSA-N 2 0 292.423 2.143 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417329 521998983 /nfs/dbraw/zinc/99/89/83/521998983.db2.gz JGOVVFVPJZDKGZ-OAHLLOKOSA-N 2 0 261.413 2.197 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)O1 ZINC000052482370 522062596 /nfs/dbraw/zinc/06/25/96/522062596.db2.gz BGUQYOPTEXMASA-XUWVNRHRSA-N 2 0 266.429 2.266 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000055065577 522124661 /nfs/dbraw/zinc/12/46/61/522124661.db2.gz FFVUTUUWVDULAZ-ZBFHGGJFSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccc(C[NH2+]C)cc2)CC1 ZINC000055074132 522126836 /nfs/dbraw/zinc/12/68/36/522126836.db2.gz BWLZHRDAUPBJHO-OAHLLOKOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000055063996 522132045 /nfs/dbraw/zinc/13/20/45/522132045.db2.gz KCECECIUHPOVGD-CZUORRHYSA-N 2 0 279.403 2.242 10 0 CEAERP C[NH2+]Cc1ccoc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484202 522139058 /nfs/dbraw/zinc/13/90/58/522139058.db2.gz GMQWWNAXVGGDMD-UHFFFAOYSA-N 2 0 291.439 2.449 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372418 522188840 /nfs/dbraw/zinc/18/88/40/522188840.db2.gz LRKFAAKFMHMREB-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CC[NH+](CC3CC3)CC2)nc1C ZINC000054909653 522456264 /nfs/dbraw/zinc/45/62/64/522456264.db2.gz GLEAGANHZPVEKI-LLVKDONJSA-N 2 0 294.468 2.264 10 0 CEAERP CC[C@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061646451 523205065 /nfs/dbraw/zinc/20/50/65/523205065.db2.gz LJLDEOGESVCHEI-XUWVNRHRSA-N 2 0 267.461 2.179 10 0 CEAERP COCC[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)C)O1)[C@@H](C)C1CC1 ZINC000052545451 523733404 /nfs/dbraw/zinc/73/34/04/523733404.db2.gz FJKSFGCEXCKLHM-BHYGNILZSA-N 2 0 298.471 2.279 10 0 CEAERP COCC[N@@H+](Cc1cc(C[NH3+])c(C)o1)CC(C)C ZINC000052508540 523740285 /nfs/dbraw/zinc/74/02/85/523740285.db2.gz FQEBBIUAYNACSD-UHFFFAOYSA-N 2 0 254.374 2.151 10 0 CEAERP C[NH+]1CCC(C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000062952681 523761153 /nfs/dbraw/zinc/76/11/53/523761153.db2.gz JIURVSTYMGCOPO-UHFFFAOYSA-N 2 0 265.445 2.066 10 0 CEAERP C[NH+]1CCC(OC[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052596890 523780168 /nfs/dbraw/zinc/78/01/68/523780168.db2.gz IQNQWGRDMLZZDA-HUUCEWRRSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000055071211 523948033 /nfs/dbraw/zinc/94/80/33/523948033.db2.gz WUECHRCERZLHQF-HNNXBMFYSA-N 2 0 295.471 2.228 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cccc(C[NH3+])c2)CC1 ZINC000055064266 523957364 /nfs/dbraw/zinc/95/73/64/523957364.db2.gz UWTIUXQPBDFXBA-AWEZNQCLSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C)c(C[NH2+]C)s2)CC1 ZINC000055076549 523961983 /nfs/dbraw/zinc/96/19/83/523961983.db2.gz CLWONVYWNKOALY-NSHDSACASA-N 2 0 282.457 2.091 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077938 524028479 /nfs/dbraw/zinc/02/84/79/524028479.db2.gz YMJNQMFJTQQUQS-OAHLLOKOSA-N 2 0 279.428 2.115 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCc2ccccc2N)CC1 ZINC000052918546 524050018 /nfs/dbraw/zinc/05/00/18/524050018.db2.gz JFGHGJZWJZSHDD-UHFFFAOYSA-N 2 0 261.413 2.085 10 0 CEAERP C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccnc2C(N)=[NH2+])C1 ZINC000061658201 524389778 /nfs/dbraw/zinc/38/97/78/524389778.db2.gz VNLXPQYMPGFEJD-YPMHNXCESA-N 2 0 260.385 2.376 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)CCc1ccncc1 ZINC000052483125 524458458 /nfs/dbraw/zinc/45/84/58/524458458.db2.gz RYZMAFNNLURYNJ-AWEZNQCLSA-N 2 0 261.413 2.477 10 0 CEAERP C[C@H](C[NH2+]C1CCCCC1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655065 524482210 /nfs/dbraw/zinc/48/22/10/524482210.db2.gz SLUAVPKIAVLMLM-GDBMZVCRSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515205 524733347 /nfs/dbraw/zinc/73/33/47/524733347.db2.gz USHZTWRIUCHJCJ-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977593 524837657 /nfs/dbraw/zinc/83/76/57/524837657.db2.gz CNUUKELQSKHAOO-JQFCIGGWSA-N 2 0 291.414 2.384 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977465 524854761 /nfs/dbraw/zinc/85/47/61/524854761.db2.gz WEGVIFLKBUBHJS-BHYGNILZSA-N 2 0 273.424 2.245 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642216 525005364 /nfs/dbraw/zinc/00/53/64/525005364.db2.gz BFXXCUHAJXGFTK-WQVCFCJDSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1F)N1CCC[C@@H]1C[NH+](C)C ZINC000061642189 525017766 /nfs/dbraw/zinc/01/77/66/525017766.db2.gz QDZGLMZLXZSXTL-XJKCOSOUSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@@H]([NH3+])c1cnc(N2CC[NH+](C3CCCC3)CC2)s1 ZINC000054896361 525033291 /nfs/dbraw/zinc/03/32/91/525033291.db2.gz ZWBZKXRJGPGOAU-LLVKDONJSA-N 2 0 280.441 2.227 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000068615190 525647569 /nfs/dbraw/zinc/64/75/69/525647569.db2.gz QNDHEWGABGLQLW-XHSDSOJGSA-N 2 0 281.488 2.427 10 0 CEAERP NC(=[NH2+])C[C@@H](c1ccccc1)[N@@H+]1CCCSCC1 ZINC000055023204 526816214 /nfs/dbraw/zinc/81/62/14/526816214.db2.gz GABDYJDQRJAFFD-ZDUSSCGKSA-N 2 0 263.410 2.493 10 0 CEAERP NC(=[NH2+])c1ccc(N2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000062794165 526823470 /nfs/dbraw/zinc/82/34/70/526823470.db2.gz NQVULXQKCGLIGE-UHFFFAOYSA-N 2 0 292.814 2.156 10 0 CEAERP NC(=[NH2+])c1ncccc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000061658390 526826059 /nfs/dbraw/zinc/82/60/59/526826059.db2.gz NKXYQJMINMZZHQ-AWEZNQCLSA-N 2 0 280.375 2.355 10 0 CEAERP Cc1nc(N(C)C2CC[NH+](C)CC2)sc1[C@@H](C)[NH3+] ZINC000054864010 526950855 /nfs/dbraw/zinc/95/08/55/526950855.db2.gz NQUDOVWVLAZOES-SECBINFHSA-N 2 0 268.430 2.002 10 0 CEAERP Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH2+]C(C)C ZINC000054998288 526952425 /nfs/dbraw/zinc/95/24/25/526952425.db2.gz GPQHWANVFGQQCC-ZDUSSCGKSA-N 2 0 296.484 2.480 10 0 CEAERP Cc1nc(N(CC[NH+](C)C)CC(C)C)sc1[C@H](C)[NH3+] ZINC000054896613 526953051 /nfs/dbraw/zinc/95/30/51/526953051.db2.gz HUZJYWWXNJOSNC-NSHDSACASA-N 2 0 284.473 2.495 10 0 CEAERP [NH3+]C[C@H]1CCCCC[C@@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758170 527230188 /nfs/dbraw/zinc/23/01/88/527230188.db2.gz KKXNLLPZCNZCDX-KFWWJZLASA-N 2 0 254.418 2.131 10 0 CEAERP [NH3+]C[C@H](c1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000052060131 527230722 /nfs/dbraw/zinc/23/07/22/527230722.db2.gz RJIURAJGXDEWQN-QGZVFWFLSA-N 2 0 273.424 2.247 10 0 CEAERP [NH3+]Cc1cc(Cl)ccc1N1CC[NH+](C2CC2)CC1 ZINC000052857145 527248941 /nfs/dbraw/zinc/24/89/41/527248941.db2.gz IKCUHCRHPRCXNC-UHFFFAOYSA-N 2 0 265.788 2.083 10 0 CEAERP FC(F)(F)COCCC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000049564877 527669697 /nfs/dbraw/zinc/66/96/97/527669697.db2.gz KNEOVGOKDHNALW-NEPJUHHUSA-N 2 0 280.334 2.172 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757154272 574511135 /nfs/dbraw/zinc/51/11/35/574511135.db2.gz ZQQRGEFERCKWAT-AWEZNQCLSA-N 2 0 252.402 2.223 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000261555198 628937819 /nfs/dbraw/zinc/93/78/19/628937819.db2.gz PLCRWJUZCZUVNX-AXFHLTTASA-N 2 0 251.761 2.217 10 0 CEAERP Cc1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3C[NH+](C)C)nn1C ZINC000096081871 185091231 /nfs/dbraw/zinc/09/12/31/185091231.db2.gz KHPZCKPIJHODEJ-ZMSDIMECSA-N 2 0 290.455 2.138 10 0 CEAERP CC1(C)CC[NH+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264623 539212801 /nfs/dbraw/zinc/21/28/01/539212801.db2.gz YRLGSMRWYVREDV-OLZOCXBDSA-N 2 0 252.402 2.005 10 0 CEAERP [NH3+]CCCN1CC[NH+]([C@@H]2CCCCc3ccccc32)CC1 ZINC000140954561 344399666 /nfs/dbraw/zinc/39/96/66/344399666.db2.gz FKSKQIYSXWUWRD-GOSISDBHSA-N 2 0 287.451 2.421 10 0 CEAERP C[C@@H](C[C@](C)(O)C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300943 179010421 /nfs/dbraw/zinc/01/04/21/179010421.db2.gz DJNFVFPUQHEXLC-CFVMTHIKSA-N 2 0 254.418 2.129 10 0 CEAERP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000085361665 179033764 /nfs/dbraw/zinc/03/37/64/179033764.db2.gz AEIRCISCYTYWGG-CVEARBPZSA-N 2 0 287.407 2.348 10 0 CEAERP C([C@@H]1CCOC1)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403764 179053179 /nfs/dbraw/zinc/05/31/79/179053179.db2.gz RPPCONIYAVCDRC-GOEBONIOSA-N 2 0 266.429 2.267 10 0 CEAERP C[C@@H](Cn1c2c(nc1C1CC1)C[NH2+]CC2)C[NH+]1CCCC1 ZINC000085572198 179096868 /nfs/dbraw/zinc/09/68/68/179096868.db2.gz ZLYZOOQHNYWNNP-CYBMUJFWSA-N 2 0 288.439 2.138 10 0 CEAERP C[C@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624042 179106553 /nfs/dbraw/zinc/10/65/53/179106553.db2.gz JQGYMJGSTJVUIK-GJZGRUSLSA-N 2 0 278.444 2.372 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573162 179098200 /nfs/dbraw/zinc/09/82/00/179098200.db2.gz GAEZGCUYMNANQX-OAHLLOKOSA-N 2 0 276.428 2.165 10 0 CEAERP Cc1cc[nH+]c(NCCC[NH2+]Cc2cccnc2)c1 ZINC000063197166 362758958 /nfs/dbraw/zinc/75/89/58/362758958.db2.gz VJEUAGZUYYBGNN-UHFFFAOYSA-N 2 0 256.353 2.377 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](CCCn2ccnc2)[C@@H](C)CC[NH2+]1 ZINC000085621712 179105355 /nfs/dbraw/zinc/10/53/55/179105355.db2.gz JNAYIITYWVYDIN-JKSUJKDBSA-N 2 0 278.444 2.372 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1CCn1cccn1 ZINC000085621011 179106002 /nfs/dbraw/zinc/10/60/02/179106002.db2.gz NQXUJFQEJKPVOM-OAHLLOKOSA-N 2 0 276.428 2.270 10 0 CEAERP CC[C@@H](C)[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086152513 179240632 /nfs/dbraw/zinc/24/06/32/179240632.db2.gz WBWGRBALPNLNLJ-LAVFITLUSA-N 2 0 293.499 2.425 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171854 179242749 /nfs/dbraw/zinc/24/27/49/179242749.db2.gz JQFLXVCVTCLRTR-HZMVEIRTSA-N 2 0 281.488 2.283 10 0 CEAERP COc1cc(F)cc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000312264821 232700730 /nfs/dbraw/zinc/70/07/30/232700730.db2.gz ROALMHBWIMZZOV-UHFFFAOYSA-N 2 0 252.333 2.194 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086173671 179244779 /nfs/dbraw/zinc/24/47/79/179244779.db2.gz PXNABJGOBWOLQW-IRXDYDNUSA-N 2 0 281.488 2.283 10 0 CEAERP CCC1(CC)CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086217763 179249619 /nfs/dbraw/zinc/24/96/19/179249619.db2.gz WJPQPOXWNFBLJU-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@]1(C)CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223092 179251207 /nfs/dbraw/zinc/25/12/07/179251207.db2.gz LPEHEFJTTRYPEH-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP C[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259360 179258226 /nfs/dbraw/zinc/25/82/26/179258226.db2.gz FQCVELWVUCJEQU-KKUMJFAQSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CC(C)(C)NC[C@@H]2C(C)C)CC1 ZINC000086259153 179258463 /nfs/dbraw/zinc/25/84/63/179258463.db2.gz XPKTXAUSHTVDFB-MRXNPFEDSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1CCC[NH2+]C2(CCCCC2)C1 ZINC000086290450 179265457 /nfs/dbraw/zinc/26/54/57/179265457.db2.gz HWTMNXLRTQVQOB-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)(C)[C@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288767 179264887 /nfs/dbraw/zinc/26/48/87/179264887.db2.gz VJZNWRQLKGOBMB-OAHLLOKOSA-N 2 0 261.413 2.334 10 0 CEAERP CC(C)C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291445 179265798 /nfs/dbraw/zinc/26/57/98/179265798.db2.gz UQYFZTYSPAZUER-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CCC1(CC)CN([C@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290512 179265825 /nfs/dbraw/zinc/26/58/25/179265825.db2.gz SJDAUFFCRBGKRX-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292972 179266110 /nfs/dbraw/zinc/26/61/10/179266110.db2.gz VFWWJQAFVIRVKE-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)C[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292991 179266978 /nfs/dbraw/zinc/26/69/78/179266978.db2.gz AITWLCAIYVXLJG-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086399463 179285392 /nfs/dbraw/zinc/28/53/92/179285392.db2.gz DZSXYUSCIVQEEB-JGVFFNPUSA-N 2 0 275.215 2.480 10 0 CEAERP C[NH+](C)CC1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443423 179294005 /nfs/dbraw/zinc/29/40/05/179294005.db2.gz GOOAPOCNNPNXCY-GFCCVEGCSA-N 2 0 294.468 2.257 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC1=[NH+]C[C@H](C)CS1 ZINC000086633006 179314776 /nfs/dbraw/zinc/31/47/76/179314776.db2.gz DLBIOTHSNVKTBH-RYUDHWBXSA-N 2 0 257.447 2.291 10 0 CEAERP CCC[NH+]1CCC(O)([C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000086666669 179317164 /nfs/dbraw/zinc/31/71/64/179317164.db2.gz NJGCFFMHNDPYHI-HNNXBMFYSA-N 2 0 260.381 2.068 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(OCCC[NH+]2CCCC2)C1 ZINC000086712302 179322999 /nfs/dbraw/zinc/32/29/99/179322999.db2.gz OMNKZEKGBDCJHJ-LSDHHAIUSA-N 2 0 254.418 2.397 10 0 CEAERP C[N@@H+]1CCC[C@](CN)([NH+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000086819501 179348279 /nfs/dbraw/zinc/34/82/79/179348279.db2.gz RYWRGDIYJGXHCG-SJORKVTESA-N 2 0 279.472 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)[C@@H](C)C(C)C)CC1 ZINC000086847148 179357271 /nfs/dbraw/zinc/35/72/71/179357271.db2.gz IDKSAFOTGFYQRI-GJZGRUSLSA-N 2 0 255.450 2.166 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CCOC)[C@@H](C)CC)CC1 ZINC000086848103 179357294 /nfs/dbraw/zinc/35/72/94/179357294.db2.gz SYSGWHGXYPNQRM-IRXDYDNUSA-N 2 0 299.503 2.327 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000086836003 179349850 /nfs/dbraw/zinc/34/98/50/179349850.db2.gz JXGPJNKEBRHLNE-INIZCTEOSA-N 2 0 289.423 2.010 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836544 179351663 /nfs/dbraw/zinc/35/16/63/179351663.db2.gz NVHPRNGJWNTICZ-HUUCEWRRSA-N 2 0 290.407 2.290 10 0 CEAERP CC(C)[C@@H](CN[C@@H]1CCC[N@@H+](C(C)C)CC1)[NH+](C)C ZINC000086836662 179351677 /nfs/dbraw/zinc/35/16/77/179351677.db2.gz BCPHVCUNPDVSDE-HZPDHXFCSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH+]1CCC(N[C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086836815 179351728 /nfs/dbraw/zinc/35/17/28/179351728.db2.gz QDOAMDAWERVTIW-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836927 179351812 /nfs/dbraw/zinc/35/18/12/179351812.db2.gz TVCAOPSKCVHSJS-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC000086836929 179351913 /nfs/dbraw/zinc/35/19/13/179351913.db2.gz TVCAOPSKCVHSJS-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843389 179353535 /nfs/dbraw/zinc/35/35/35/179353535.db2.gz FQEYIOLFYOVQRI-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CCCCN(C)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846555 179354394 /nfs/dbraw/zinc/35/43/94/179354394.db2.gz XRCMRXVHUFTDRO-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CCCN(CC)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846753 179354655 /nfs/dbraw/zinc/35/46/55/179354655.db2.gz WTGRZXSKZCKVBH-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCCN(CC)[C@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846762 179354767 /nfs/dbraw/zinc/35/47/67/179354767.db2.gz KVFUSTYSEPNYRV-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2CC[NH2+]C)CC1 ZINC000086851249 179359802 /nfs/dbraw/zinc/35/98/02/179359802.db2.gz GNBVOIXOCYNIMY-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H]1CCC[C@H]([NH2+]CCN2CC[NH+](C)CC2)CC1 ZINC000086904712 179366870 /nfs/dbraw/zinc/36/68/70/179366870.db2.gz JOZWXKHIQIUXLA-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086912012 179367218 /nfs/dbraw/zinc/36/72/18/179367218.db2.gz VZVGICVIZRCRGS-RDJZCZTQSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[N@H+](C)CC2)CC1 ZINC000086910566 179367342 /nfs/dbraw/zinc/36/73/42/179367342.db2.gz UFVSHQNKMRSUEL-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950408 179368841 /nfs/dbraw/zinc/36/88/41/179368841.db2.gz DMDVTWTUACRDFH-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)[C@H]1CCC[C@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086948971 179368902 /nfs/dbraw/zinc/36/89/02/179368902.db2.gz CMCSRRUWEWISIO-HOTGVXAUSA-N 2 0 269.477 2.414 10 0 CEAERP CC1CCC(O)(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000087062330 179389569 /nfs/dbraw/zinc/38/95/69/179389569.db2.gz FSYIHGQKUVACIW-PCKAHOCUSA-N 2 0 268.445 2.392 10 0 CEAERP CCn1nc(C)cc1C[NH+]1CCC([C@H](C)[NH2+]C)CC1 ZINC000089180633 179744443 /nfs/dbraw/zinc/74/44/43/179744443.db2.gz DNPVGDIVZRPFGB-ZDUSSCGKSA-N 2 0 264.417 2.031 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400712265 233181005 /nfs/dbraw/zinc/18/10/05/233181005.db2.gz MNZKQZSDVBLIJI-SGMGOOAPSA-N 2 0 278.396 2.352 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089393568 179779288 /nfs/dbraw/zinc/77/92/88/179779288.db2.gz QWJSENOZKGPOEX-GDBMZVCRSA-N 2 0 295.471 2.084 10 0 CEAERP Cc1csc(CC[NH2+]C[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089402810 179782169 /nfs/dbraw/zinc/78/21/69/179782169.db2.gz VTUKQKADEZRSBT-QWHCGFSZSA-N 2 0 267.442 2.349 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2CO)CC1 ZINC000089504948 179806505 /nfs/dbraw/zinc/80/65/05/179806505.db2.gz IEBHIMNWXJLGFI-BHYGNILZSA-N 2 0 282.472 2.495 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@@H+]1CCCc2ccccc2C1 ZINC000090566872 180006892 /nfs/dbraw/zinc/00/68/92/180006892.db2.gz JIPPIQXTLXRTNW-QZTJIDSGSA-N 2 0 288.435 2.449 10 0 CEAERP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693682 180026058 /nfs/dbraw/zinc/02/60/58/180026058.db2.gz MZTSNJKAXMHROR-RRFJBIMHSA-N 2 0 295.471 2.144 10 0 CEAERP C[NH2+][C@H](C)[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873626 180049951 /nfs/dbraw/zinc/04/99/51/180049951.db2.gz IDKYLMQMDFMWFS-KBMXLJTQSA-N 2 0 274.408 2.310 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878933 180052802 /nfs/dbraw/zinc/05/28/02/180052802.db2.gz OQWRKKYTBWOLKO-IAQYHMDHSA-N 2 0 278.371 2.188 10 0 CEAERP C(C[NH+]1CCC2(CCCC2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000091314210 180133655 /nfs/dbraw/zinc/13/36/55/180133655.db2.gz UJNKQAQTILIOLG-CQSZACIVSA-N 2 0 252.402 2.021 10 0 CEAERP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091358952 180140239 /nfs/dbraw/zinc/14/02/39/180140239.db2.gz WLYSIURMORJJAV-JYJNAYRXSA-N 2 0 295.471 2.145 10 0 CEAERP CC[NH2+]Cc1oc(CN2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091449832 180158055 /nfs/dbraw/zinc/15/80/55/180158055.db2.gz RHOLVCRXMLUGPZ-AWEZNQCLSA-N 2 0 279.428 2.224 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091391697 180144920 /nfs/dbraw/zinc/14/49/20/180144920.db2.gz MEUGTFNVYHDKGU-FPMFFAJLSA-N 2 0 267.442 2.162 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393977 180145645 /nfs/dbraw/zinc/14/56/45/180145645.db2.gz XEMDASKPUORCDC-CABCVRRESA-N 2 0 283.460 2.084 10 0 CEAERP C[C@H]([NH3+])C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000091402340 180147125 /nfs/dbraw/zinc/14/71/25/180147125.db2.gz BHRORUUYYBLJEE-HNNXBMFYSA-N 2 0 275.440 2.178 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404839 180147364 /nfs/dbraw/zinc/14/73/64/180147364.db2.gz FJRPYZWSAIPLGI-HNNXBMFYSA-N 3 0 281.488 2.428 10 0 CEAERP CCCN(CC[NH+](C)C)c1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091420448 180150823 /nfs/dbraw/zinc/15/08/23/180150823.db2.gz HFGNYRGVAYSXSP-UHFFFAOYSA-N 2 0 293.459 2.143 10 0 CEAERP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH2+]C1CCCCC1 ZINC000091527931 180179858 /nfs/dbraw/zinc/17/98/58/180179858.db2.gz NEIZRWVATRNGNE-GDBMZVCRSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H](C1CCOCC1)C1([NH+](C)C)CCCC1 ZINC000091637907 180212570 /nfs/dbraw/zinc/21/25/70/180212570.db2.gz UBMZEFKODYBCQN-AWEZNQCLSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1ncc(C)c(OC)c1C ZINC000091715720 180232738 /nfs/dbraw/zinc/23/27/38/180232738.db2.gz MJNUGWGQQANNOX-AWEZNQCLSA-N 2 0 279.428 2.309 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCC[NH+](C)CC1 ZINC000091851601 180272619 /nfs/dbraw/zinc/27/26/19/180272619.db2.gz SCBQCYZMHRZNDQ-PCKAHOCUSA-N 3 0 267.461 2.453 10 0 CEAERP CCC[N@H+](CCN1CCCCC1)C1CCC([NH3+])CC1 ZINC000091852238 180272785 /nfs/dbraw/zinc/27/27/85/180272785.db2.gz SFZSWAFUGYFDKJ-UHFFFAOYSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@H+](C[C@H]1CN(C(C)C)CCO1)C1CCC([NH3+])CC1 ZINC000091852498 180273153 /nfs/dbraw/zinc/27/31/53/180273153.db2.gz CQOTXYWZYXXKIA-OFLPRAFFSA-N 2 0 297.487 2.078 10 0 CEAERP C[N@H+](CC[C@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091846391 180270423 /nfs/dbraw/zinc/27/04/23/180270423.db2.gz SBHSKPRLGFCVCP-SHARSMKWSA-N 3 0 253.434 2.063 10 0 CEAERP CC[N@H+]([C@H](C)C(=O)NC1CCCCC1)C1CCC([NH3+])CC1 ZINC000091851075 180271915 /nfs/dbraw/zinc/27/19/15/180271915.db2.gz ILYWGNWJANBHAS-VQCLRJIVSA-N 2 0 295.471 2.416 10 0 CEAERP CC[N@H+](Cc1occc1C(=O)OC)C1CCC([NH3+])CC1 ZINC000091850898 180271962 /nfs/dbraw/zinc/27/19/62/180271962.db2.gz LTTRORFATYXMMC-UHFFFAOYSA-N 2 0 280.368 2.158 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N[C@H](C)CC)CC1 ZINC000091870103 180277158 /nfs/dbraw/zinc/27/71/58/180277158.db2.gz MUENMPUMKKULIO-WLYUNCDWSA-N 2 0 283.460 2.144 10 0 CEAERP CCC[NH+]1CCC(O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091906362 180283984 /nfs/dbraw/zinc/28/39/84/180283984.db2.gz RWFZGSZCOBLRIG-UHFFFAOYSA-N 2 0 268.445 2.379 10 0 CEAERP CC[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091922504 180286863 /nfs/dbraw/zinc/28/68/63/180286863.db2.gz CVYCMQIXDBBCGY-OAHLLOKOSA-N 2 0 254.418 2.133 10 0 CEAERP CC[N@@H+]1CCO[C@H](Cn2ccc3c2cccc3C[NH2+]C)C1 ZINC000092060161 180315044 /nfs/dbraw/zinc/31/50/44/180315044.db2.gz WRKZHKCCXQONKE-HNNXBMFYSA-N 2 0 287.407 2.081 10 0 CEAERP Cc1cc(CC[NH3+])ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092005029 180305112 /nfs/dbraw/zinc/30/51/12/180305112.db2.gz HAKHIUJENIFURU-CVEARBPZSA-N 2 0 273.424 2.169 10 0 CEAERP C[NH2+]Cc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000092089197 180321673 /nfs/dbraw/zinc/32/16/73/180321673.db2.gz GLXZSNMSQHBPTI-ZIAGYGMSSA-N 2 0 262.397 2.373 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092203742 180343430 /nfs/dbraw/zinc/34/34/30/180343430.db2.gz AOTCVCJMZFVAII-UKRRQHHQSA-N 2 0 287.407 2.370 10 0 CEAERP CC(C)[C@H]1C[N@H+](C[C@@H]2COc3ccccc32)CCC[NH2+]1 ZINC000092307382 180360292 /nfs/dbraw/zinc/36/02/92/180360292.db2.gz JFRBROXOLDJESK-GDBMZVCRSA-N 2 0 274.408 2.483 10 0 CEAERP C[N@H+](C[C@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267646 180355674 /nfs/dbraw/zinc/35/56/74/180355674.db2.gz GRSICLNMTXAPBM-CQSZACIVSA-N 2 0 262.422 2.387 10 0 CEAERP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300442 180358400 /nfs/dbraw/zinc/35/84/00/180358400.db2.gz IFNOLZONIXLSMA-UONOGXRCSA-N 2 0 260.381 2.094 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000092419019 180381957 /nfs/dbraw/zinc/38/19/57/180381957.db2.gz DOTCQGCODZXULA-OAHLLOKOSA-N 2 0 262.401 2.039 10 0 CEAERP CNc1cc[nH+]c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000092419153 180382122 /nfs/dbraw/zinc/38/21/22/180382122.db2.gz MAVZWDHFIWPSID-MRXNPFEDSA-N 2 0 274.412 2.184 10 0 CEAERP CC[C@@H](c1nc(CC[NH+](CC)CC)no1)[C@H](C)[NH2+]C ZINC000109496125 186256440 /nfs/dbraw/zinc/25/64/40/186256440.db2.gz GGOKOQGZIDBTEP-NWDGAFQWSA-N 2 0 268.405 2.055 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H]2CCCOC2)CC1 ZINC000109544617 186261900 /nfs/dbraw/zinc/26/19/00/186261900.db2.gz LZPAYZLMFJLWAA-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1cc(OCC[NH+](C)C)c2ccccc2n1 ZINC000109590638 186264598 /nfs/dbraw/zinc/26/45/98/186264598.db2.gz HDDZSJFYBBKBHI-UHFFFAOYSA-N 2 0 273.380 2.285 10 0 CEAERP COc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110648620 186310265 /nfs/dbraw/zinc/31/02/65/186310265.db2.gz DCTPQZUQTIWLPN-LBPRGKRZSA-N 2 0 290.407 2.457 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000110370622 186294759 /nfs/dbraw/zinc/29/47/59/186294759.db2.gz SDWVAGPRPIDFIV-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H](C)CC[NH+](C)C ZINC000110629884 186307152 /nfs/dbraw/zinc/30/71/52/186307152.db2.gz AKDPOKCKFJIULO-VIFPVBQESA-N 2 0 280.347 2.279 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703855 186314381 /nfs/dbraw/zinc/31/43/81/186314381.db2.gz ULQJZAMFGCNDJX-UMVBOHGHSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704829 186314405 /nfs/dbraw/zinc/31/44/05/186314405.db2.gz FSUOXBWSMGEOLH-JSGCOSHPSA-N 2 0 281.469 2.471 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717314 186315345 /nfs/dbraw/zinc/31/53/45/186315345.db2.gz LOPSNTGOPZMZNJ-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH3+])CC1(C)C ZINC000110716511 186316422 /nfs/dbraw/zinc/31/64/22/186316422.db2.gz AICFXUJJPYGMPF-UONOGXRCSA-N 2 0 253.434 2.063 10 0 CEAERP CCOc1ccc([C@H](C[NH3+])N2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000110709663 186316666 /nfs/dbraw/zinc/31/66/66/186316666.db2.gz UAINQTICMOEVCR-YOEHRIQHSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110746820 186319507 /nfs/dbraw/zinc/31/95/07/186319507.db2.gz SMOUGKHKCCYQBY-XHSDSOJGSA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C)c([C@@H](C)[NH2+]C)s2)C[C@@H]1C ZINC000110758463 186321194 /nfs/dbraw/zinc/32/11/94/186321194.db2.gz SFONFJJPTGGWPW-WDEREUQCSA-N 2 0 282.457 2.262 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN(C)CCC[NH+](C)C ZINC000111150450 186361141 /nfs/dbraw/zinc/36/11/41/186361141.db2.gz GCJPIPJJBHKYOK-UHFFFAOYSA-N 2 0 267.417 2.161 10 0 CEAERP CCOCC[N@H+](CC)CC[C@@H]([NH3+])c1ccccc1 ZINC000111122884 186354390 /nfs/dbraw/zinc/35/43/90/186354390.db2.gz IKLHEHMDCSIVEE-OAHLLOKOSA-N 2 0 250.386 2.435 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(OC)cc1)N(C)CCC[NH+](C)C ZINC000111130933 186356466 /nfs/dbraw/zinc/35/64/66/186356466.db2.gz LDMMCDOUZUIQBV-IRXDYDNUSA-N 2 0 293.455 2.357 10 0 CEAERP CN(CCC[NH+](C)C)C[C@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000111136111 186356977 /nfs/dbraw/zinc/35/69/77/186356977.db2.gz VAZSLDKJJPBSMP-LESVLKBLSA-N 2 0 293.499 2.414 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N(C)CC[NH+](C)C ZINC000111134389 186357094 /nfs/dbraw/zinc/35/70/94/186357094.db2.gz XNVAZCHIEBXKDA-DLBZAZTESA-N 2 0 275.440 2.145 10 0 CEAERP CCc1ccc([C@@H]([NH2+]C)[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134436 186357480 /nfs/dbraw/zinc/35/74/80/186357480.db2.gz XPRMBVKBTXSFHI-PBHICJAKSA-N 2 0 277.456 2.391 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)C12CC3CC(CC(C3)C1)C2 ZINC000111135128 186357708 /nfs/dbraw/zinc/35/77/08/186357708.db2.gz SBMKJUFEHBNVIA-AWDGRILASA-N 2 0 293.499 2.284 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN(C)CCC[NH+](C)C ZINC000111147943 186359568 /nfs/dbraw/zinc/35/95/68/186359568.db2.gz TXSHPXFMVZUKIX-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP C[N@H+](CC[C@H]([NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000111172174 186365031 /nfs/dbraw/zinc/36/50/31/186365031.db2.gz VPEYLLDJACROOV-HOCLYGCPSA-N 2 0 262.397 2.435 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCOC2)CCOCC1 ZINC000111172143 186365283 /nfs/dbraw/zinc/36/52/83/186365283.db2.gz YXQYUVPKOJGAEI-INIZCTEOSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@H+](CCC[NH2+]C1CCCC1)C[C@H]1CCCOC1 ZINC000111176475 186365561 /nfs/dbraw/zinc/36/55/61/186365561.db2.gz POOAYKFIFWHDEE-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323363 186396568 /nfs/dbraw/zinc/39/65/68/186396568.db2.gz FGMYCRPBGZVBMF-GJZGRUSLSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326441 186398039 /nfs/dbraw/zinc/39/80/39/186398039.db2.gz UQURAKKYOURJCQ-DLBZAZTESA-N 2 0 298.471 2.284 10 0 CEAERP CC[N@H+](C[C@@]1(C[NH2+]C)CCCOC1)C1CCCC1 ZINC000111325298 186398273 /nfs/dbraw/zinc/39/82/73/186398273.db2.gz OUTROUPNFIBMRK-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccc(C)cc2)CCCOC1 ZINC000111324504 186398394 /nfs/dbraw/zinc/39/83/94/186398394.db2.gz WOMKGBLKEVGYIH-KRWDZBQOSA-N 2 0 276.424 2.443 10 0 CEAERP [NH3+]C[C@@]1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCOC1 ZINC000111325855 186398657 /nfs/dbraw/zinc/39/86/57/186398657.db2.gz HDLPKFLTSNAPDA-ARFHVFGLSA-N 2 0 266.429 2.254 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266779 186382700 /nfs/dbraw/zinc/38/27/00/186382700.db2.gz UXXVGHPWXSQZIY-BBRMVZONSA-N 2 0 289.423 2.322 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2c(F)cc(CC[NH3+])cc2F)C1 ZINC000111482547 186422428 /nfs/dbraw/zinc/42/24/28/186422428.db2.gz DSZVKCWPWRCRSM-ZDUSSCGKSA-N 2 0 297.393 2.387 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2ccc(CC[NH3+])c(C)c2)C1 ZINC000111482527 186422628 /nfs/dbraw/zinc/42/26/28/186422628.db2.gz KNWRUKHHNVAWTM-KRWDZBQOSA-N 2 0 275.440 2.417 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2ccccc2C[C@@H](C)[NH3+])C1 ZINC000111500239 186424900 /nfs/dbraw/zinc/42/49/00/186424900.db2.gz RUZIFQUZKFZTLP-ZBFHGGJFSA-N 2 0 275.440 2.497 10 0 CEAERP CCC[NH2+]CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000111696299 186445043 /nfs/dbraw/zinc/44/50/43/186445043.db2.gz IGBCWXWCQSGISP-HUUCEWRRSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[NH+](CCNC(=O)C(C)(C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000120038671 186871204 /nfs/dbraw/zinc/87/12/04/186871204.db2.gz XGSKOFVQKKOBKM-OAHLLOKOSA-N 2 0 297.487 2.247 10 0 CEAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000133577020 366237065 /nfs/dbraw/zinc/23/70/65/366237065.db2.gz WIOCQMAKTLTJMR-CQSZACIVSA-N 2 0 272.396 2.158 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575438829 366287273 /nfs/dbraw/zinc/28/72/73/366287273.db2.gz CATYOEJHPXDYGQ-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP CCC[C@@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000087535193 535341600 /nfs/dbraw/zinc/34/16/00/535341600.db2.gz AMLREMOHERCIOW-AWEZNQCLSA-N 2 0 279.403 2.323 10 0 CEAERP Cc1ccc([C@@H](C)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151337964 366640186 /nfs/dbraw/zinc/64/01/86/366640186.db2.gz SFYGSMQDYYJRFN-WBVHZDCISA-N 2 0 276.424 2.492 10 0 CEAERP Clc1ccc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000019688652 361546604 /nfs/dbraw/zinc/54/66/04/361546604.db2.gz YQTNVSSOCIXDIY-UHFFFAOYSA-N 2 0 293.842 2.210 10 0 CEAERP Cc1ccc(C)c(OCC[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000631842903 367584450 /nfs/dbraw/zinc/58/44/50/367584450.db2.gz HEUCPXNIENTIGG-LSDHHAIUSA-N 2 0 262.397 2.209 10 0 CEAERP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000631843193 367585791 /nfs/dbraw/zinc/58/57/91/367585791.db2.gz KDZOZLPHZKITGN-RYUDHWBXSA-N 2 0 268.788 2.245 10 0 CEAERP Nc1cc(C[NH+]2CCCC2)cc(C[NH+]2CCCC2)c1 ZINC000216221829 370184787 /nfs/dbraw/zinc/18/47/87/370184787.db2.gz PZMIMKOVYATXQQ-UHFFFAOYSA-N 2 0 259.397 2.460 10 0 CEAERP CCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261588179 371665313 /nfs/dbraw/zinc/66/53/13/371665313.db2.gz KAWQKENHNMRJPA-IMJJTQAJSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)C[C@@H]12 ZINC000261601255 371673519 /nfs/dbraw/zinc/67/35/19/371673519.db2.gz BSCSHSJNURZPPY-USXIJHARSA-N 2 0 282.391 2.041 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](CCOCC2CC2)C[C@H]1c1ccccc1 ZINC000261725172 371712871 /nfs/dbraw/zinc/71/28/71/371712871.db2.gz LMXILAKTKHKHTG-SJORKVTESA-N 2 0 274.408 2.087 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cc(Cl)cc4c3OCC4)C[C@@H]12 ZINC000261857975 371753050 /nfs/dbraw/zinc/75/30/50/371753050.db2.gz XOOCAYBPABTXKP-NILFDRSVSA-N 2 0 292.810 2.444 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]12 ZINC000261986724 371790296 /nfs/dbraw/zinc/79/02/96/371790296.db2.gz RYGFGUBYGZFCND-LERXQTSPSA-N 2 0 288.420 2.307 10 0 CEAERP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000250966938 189968287 /nfs/dbraw/zinc/96/82/87/189968287.db2.gz CLEXVVSCXPSZKM-ZLDLUXBVSA-N 2 0 250.361 2.474 10 0 CEAERP CCC[NH2+]C[C@H](C)[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000093070591 184645857 /nfs/dbraw/zinc/64/58/57/184645857.db2.gz XJVVCWSZOIZHBJ-JYJNAYRXSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093461802 184677992 /nfs/dbraw/zinc/67/79/92/184677992.db2.gz CVSFLFUTQWNTNU-QXSJWSMHSA-N 2 0 268.445 2.294 10 0 CEAERP Cc1n[nH]cc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093471729 184680707 /nfs/dbraw/zinc/68/07/07/184680707.db2.gz GFVSUALRDHSLOH-SOUVJXGZSA-N 2 0 262.401 2.119 10 0 CEAERP CCC[NH2+]C1CCC([NH+]2CC3(C2)CCOCC3)CC1 ZINC000093965116 184746496 /nfs/dbraw/zinc/74/64/96/184746496.db2.gz GTXXEEWNCDYCJI-UHFFFAOYSA-N 2 0 266.429 2.410 10 0 CEAERP Cc1ccc(OC[C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000094010338 184749837 /nfs/dbraw/zinc/74/98/37/184749837.db2.gz VTRGGWNRJSMSAT-AWEZNQCLSA-N 2 0 262.397 2.352 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094280160 184775132 /nfs/dbraw/zinc/77/51/32/184775132.db2.gz BQJXXFUGPQIEGD-GJZGRUSLSA-N 2 0 268.445 2.200 10 0 CEAERP CC[NH2+][C@H]1[C@@H](CN2CC[NH+](C(C)C)CC2)CCC1(C)C ZINC000094316574 184779417 /nfs/dbraw/zinc/77/94/17/184779417.db2.gz BGOVSIZJUHZOCL-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000094383939 184792182 /nfs/dbraw/zinc/79/21/82/184792182.db2.gz HOOMNZBFVUWRNA-OAHLLOKOSA-N 2 0 266.429 2.410 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1[C@@H]1CCOC2(CCCC2)C1 ZINC000094384669 184792347 /nfs/dbraw/zinc/79/23/47/184792347.db2.gz KEYNUPHCKKKTBT-KLHDSHLOSA-N 2 0 278.440 2.408 10 0 CEAERP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000262708606 131253820 /nfs/dbraw/zinc/25/38/20/131253820.db2.gz OBYBWYNJEDXUIV-CJNGLKHVSA-N 2 0 295.427 2.296 10 0 CEAERP COc1ccccc1N1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000087535282 135051035 /nfs/dbraw/zinc/05/10/35/135051035.db2.gz VFKURHZLRJDMMW-HNNXBMFYSA-N 2 0 291.439 2.048 10 0 CEAERP OC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089495842 135059430 /nfs/dbraw/zinc/05/94/30/135059430.db2.gz LYTJXPYFSLOKJY-HUUCEWRRSA-N 2 0 289.423 2.049 10 0 CEAERP C[C@H](C[NH3+])[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000093068727 135079077 /nfs/dbraw/zinc/07/90/77/135079077.db2.gz CYYJBZRTYGTBAZ-OLZOCXBDSA-N 2 0 281.831 2.445 10 0 CEAERP [NH3+][C@@H]1CC[C@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000093224243 135079545 /nfs/dbraw/zinc/07/95/45/135079545.db2.gz KGAGJHPHXVMYLS-HIFRSBDPSA-N 2 0 279.815 2.342 10 0 CEAERP NC(=[NH2+])c1cc(Cl)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439599 135087772 /nfs/dbraw/zinc/08/77/72/135087772.db2.gz JBYHRQVXBGCVLX-GFCCVEGCSA-N 2 0 292.814 2.299 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000034501785 394493325 /nfs/dbraw/zinc/49/33/25/394493325.db2.gz QDSZTKVTBFVIQK-UHFFFAOYSA-N 2 0 267.804 2.201 10 0 CEAERP C[C@H]1CCN(C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000306791381 394517854 /nfs/dbraw/zinc/51/78/54/394517854.db2.gz XNEOXBOWOWJSRU-INIZCTEOSA-N 2 0 287.451 2.335 10 0 CEAERP C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1C[NH2+]C1 ZINC000422820188 394810556 /nfs/dbraw/zinc/81/05/56/394810556.db2.gz PJQNPWPJDPDZCH-PUSIOWJLSA-N 2 0 250.308 2.305 10 0 CEAERP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1Cl ZINC000415091312 394886239 /nfs/dbraw/zinc/88/62/39/394886239.db2.gz YWXGIWJAKZCZAS-CMPLNLGQSA-N 2 0 268.788 2.436 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1C ZINC000234741694 153425828 /nfs/dbraw/zinc/42/58/28/153425828.db2.gz AHNKLLHWJKOQEV-UONOGXRCSA-N 2 0 250.386 2.400 10 0 CEAERP [NH2+]=C(NO)c1ccc(Oc2ccc(C(=[NH2+])NO)cc2)cc1 ZINC000016082809 170686588 /nfs/dbraw/zinc/68/65/88/170686588.db2.gz SSRBFTSNCIQBIK-UHFFFAOYSA-N 2 0 286.291 2.087 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000020260527 171117073 /nfs/dbraw/zinc/11/70/73/171117073.db2.gz LFZWFZJYTMTLHW-GOEBONIOSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022170814 171368300 /nfs/dbraw/zinc/36/83/00/171368300.db2.gz CFOPUBWCCUUCPY-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP [NH3+]Cc1cccc(NC(=O)CCC[NH+]2CCCCC2)c1 ZINC000022173567 171369358 /nfs/dbraw/zinc/36/93/58/171369358.db2.gz OJZJJVRMSALWEE-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022210445 171373375 /nfs/dbraw/zinc/37/33/75/171373375.db2.gz LPLYJPZFDPGWCF-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP CCC[N@H+](CCC[NH3+])Cc1ccc(OC)c(OC)c1 ZINC000037299536 173103945 /nfs/dbraw/zinc/10/39/45/173103945.db2.gz QDSFIAXCIITQDS-UHFFFAOYSA-N 2 0 266.385 2.265 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC[C@@H](C)[NH+](C)C)C1 ZINC000038087975 174100747 /nfs/dbraw/zinc/10/07/47/174100747.db2.gz PSHNZWSETHQJSN-KFWWJZLASA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H](C)N(C)C)CC1 ZINC000038087985 174100905 /nfs/dbraw/zinc/10/09/05/174100905.db2.gz YIQPIAQCEDFNES-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC[C@@H]2CCCO2)CC1 ZINC000038096069 174110212 /nfs/dbraw/zinc/11/02/12/174110212.db2.gz XFNQGPZMZMOJHR-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000040592211 174347486 /nfs/dbraw/zinc/34/74/86/174347486.db2.gz BGHMOHLPJNRJTH-UKRRQHHQSA-N 2 0 260.381 2.442 10 0 CEAERP C[C@H]1CCC[C@](CNC(=O)C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000040670512 174368479 /nfs/dbraw/zinc/36/84/79/174368479.db2.gz KYLTYOFZTGQNOM-GIOUXUJVSA-N 2 0 295.471 2.131 10 0 CEAERP CCOC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000040678503 174374513 /nfs/dbraw/zinc/37/45/13/174374513.db2.gz PBGPIEAJBFVPHK-UMVBOHGHSA-N 2 0 254.418 2.251 10 0 CEAERP CCOC1CC[NH+](C[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000040678535 174374769 /nfs/dbraw/zinc/37/47/69/174374769.db2.gz JIAURBZXNLMTFW-OAHLLOKOSA-N 2 0 262.397 2.230 10 0 CEAERP Cc1ncc(CN[C@@H](C[NH+](C)C)c2ccccc2)n1C ZINC000657298475 414842173 /nfs/dbraw/zinc/84/21/73/414842173.db2.gz VLYJAJRZNKZKNN-INIZCTEOSA-N 2 0 272.396 2.121 10 0 CEAERP CCC[NH+]1CCN([C@@H]([C@H]([NH3+])CC)C(C)(C)C)CC1 ZINC000043291530 174997600 /nfs/dbraw/zinc/99/76/00/174997600.db2.gz WZFRKVMOLJJAGJ-KGLIPLIRSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335168 175011364 /nfs/dbraw/zinc/01/13/64/175011364.db2.gz PKEXNEJEJOWQTP-ZFWWWQNUSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CCC(C[NH+](C)C)CC1 ZINC000043335943 175011658 /nfs/dbraw/zinc/01/16/58/175011658.db2.gz PPZNCLRGAZBDOL-HOCLYGCPSA-N 2 0 279.428 2.332 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H](c1ccco1)[C@@H](C)[NH3+] ZINC000043336301 175011696 /nfs/dbraw/zinc/01/16/96/175011696.db2.gz CXKKGUMYECFPAD-UKRRQHHQSA-N 2 0 267.417 2.188 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043354133 175021307 /nfs/dbraw/zinc/02/13/07/175021307.db2.gz CGNHOZPHMHQCDI-HOTGVXAUSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](CC2CC2)CC1 ZINC000043364843 175025251 /nfs/dbraw/zinc/02/52/51/175025251.db2.gz JIYCWECETZMUAW-WBVHZDCISA-N 2 0 291.439 2.394 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](CC3CC3)CC2)o1 ZINC000043364838 175025331 /nfs/dbraw/zinc/02/53/31/175025331.db2.gz PXVMSDPFODKWJQ-CZUORRHYSA-N 2 0 277.412 2.004 10 0 CEAERP CC[NH+]1CCN(C[C@H]([NH2+]C)c2cc3ccccc3o2)CC1 ZINC000043805909 175108197 /nfs/dbraw/zinc/10/81/97/175108197.db2.gz FOPCGRDBXOVTBB-HNNXBMFYSA-N 2 0 287.407 2.331 10 0 CEAERP CCC[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810963 175110343 /nfs/dbraw/zinc/11/03/43/175110343.db2.gz WFWQPEGITFDKOG-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815177 175111951 /nfs/dbraw/zinc/11/19/51/175111951.db2.gz IQMZTSQJCNJAAH-YOEHRIQHSA-N 2 0 275.440 2.362 10 0 CEAERP CCC[NH2+][C@H](C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000043817815 175113427 /nfs/dbraw/zinc/11/34/27/175113427.db2.gz WBVTTYISKSLREI-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H](CN1CCC([NH+](C)C)CC1)c1ccccc1C ZINC000043897307 175119914 /nfs/dbraw/zinc/11/99/14/175119914.db2.gz KGAQJCKXEPDLET-KRWDZBQOSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897236 175120170 /nfs/dbraw/zinc/12/01/70/175120170.db2.gz SOXBNYSVCNHVBE-YOEHRIQHSA-N 2 0 275.440 2.362 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897565 175120335 /nfs/dbraw/zinc/12/03/35/175120335.db2.gz QSTXDZGLZUIQCQ-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897461 175120498 /nfs/dbraw/zinc/12/04/98/175120498.db2.gz XANKOIGYTURWJN-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H](CC)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965616 175126902 /nfs/dbraw/zinc/12/69/02/175126902.db2.gz QKWZJMPWZXSHNJ-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970568 175132171 /nfs/dbraw/zinc/13/21/71/175132171.db2.gz QQHBXIFCJJANNE-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@H+](CCC[C@](C)([NH3+])C(=O)OC)C1CCCCC1 ZINC000045372384 175364644 /nfs/dbraw/zinc/36/46/44/175364644.db2.gz CXURPXDDXVZIPJ-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CCC[NH2+][C@](C)(CCC[NH+](CCC)CCC)C(N)=O ZINC000045378630 175367474 /nfs/dbraw/zinc/36/74/74/175367474.db2.gz ONUKUNPMPLHBCR-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381734 175369623 /nfs/dbraw/zinc/36/96/23/175369623.db2.gz GKZAVBOGBOPXBI-INIZCTEOSA-N 2 0 285.476 2.377 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](CC)C(C)C ZINC000045383625 175371494 /nfs/dbraw/zinc/37/14/94/175371494.db2.gz NYTYTDAGXIFASR-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP CCCCC[N@H+](C)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045388093 175373966 /nfs/dbraw/zinc/37/39/66/175373966.db2.gz OAZKHYFADIHTDH-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C(C)C ZINC000045392100 175375369 /nfs/dbraw/zinc/37/53/69/175375369.db2.gz FKWIVIALSYNITN-JSGCOSHPSA-N 2 0 258.406 2.023 10 0 CEAERP C[C@]([NH3+])(CO)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000070513157 175961587 /nfs/dbraw/zinc/96/15/87/175961587.db2.gz CIFUPYBBRWPGGI-GOSISDBHSA-N 2 0 290.451 2.431 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576341 175991764 /nfs/dbraw/zinc/99/17/64/175991764.db2.gz KGMNHXMOZSIRGU-CVEARBPZSA-N 2 0 297.487 2.330 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2OCCc3ccccc32)CC1 ZINC000071044425 176029792 /nfs/dbraw/zinc/02/97/92/176029792.db2.gz DASYRNPSUDRLRW-DYVFJYSZSA-N 2 0 274.408 2.360 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000071124821 176034804 /nfs/dbraw/zinc/03/48/04/176034804.db2.gz NNTOKWSDWXDTNB-IXDOHACOSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000071124748 176034907 /nfs/dbraw/zinc/03/49/07/176034907.db2.gz FLYTVIGXTXNBTF-ZACQAIPSSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])([N@H+](C)C[C@@H]2CCCO2)C1 ZINC000071123786 176034986 /nfs/dbraw/zinc/03/49/86/176034986.db2.gz KRIPWZWFVRIPQK-KKUMJFAQSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H]1CCC[C@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147382 176043620 /nfs/dbraw/zinc/04/36/20/176043620.db2.gz VPKLLSXEVTYIDO-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CCCCCC[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148922 176044821 /nfs/dbraw/zinc/04/48/21/176044821.db2.gz QVOSJXITYFNUEV-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000071161857 176046009 /nfs/dbraw/zinc/04/60/09/176046009.db2.gz UBYOOEPWPAMBJI-HOCLYGCPSA-N 2 0 265.445 2.064 10 0 CEAERP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000071169806 176050492 /nfs/dbraw/zinc/05/04/92/176050492.db2.gz HLRSQXDGISWDAN-UKRRQHHQSA-N 2 0 262.397 2.297 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187850 176061868 /nfs/dbraw/zinc/06/18/68/176061868.db2.gz YNCLQNRWGQGTSC-ZMSDIMECSA-N 2 0 275.440 2.267 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188333 176062500 /nfs/dbraw/zinc/06/25/00/176062500.db2.gz IHSPZFMBWSYYHK-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000071188857 176063335 /nfs/dbraw/zinc/06/33/35/176063335.db2.gz OFNFCGNIVLKMDC-AEFFLSMTSA-N 2 0 289.467 2.447 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188870 176063934 /nfs/dbraw/zinc/06/39/34/176063934.db2.gz PXVQIFMVLGKBSH-ILXRZTDVSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189032 176065020 /nfs/dbraw/zinc/06/50/20/176065020.db2.gz XJVYHMZVWPYBHQ-KFWWJZLASA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191319 176069936 /nfs/dbraw/zinc/06/99/36/176069936.db2.gz INVKYCJNFPLHOU-HZMVEIRTSA-N 2 0 281.488 2.284 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191656 176070115 /nfs/dbraw/zinc/07/01/15/176070115.db2.gz QDTPDLVEGNISPB-OAHLLOKOSA-N 2 0 290.455 2.215 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C[NH3+])cc2ccccc21 ZINC000071191773 176071131 /nfs/dbraw/zinc/07/11/31/176071131.db2.gz LNAXSYNNPOOZIY-CYBMUJFWSA-N 2 0 284.407 2.081 10 0 CEAERP CC(C)[NH2+]CCCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191859 176072540 /nfs/dbraw/zinc/07/25/40/176072540.db2.gz UMZWYLSQHZJYNF-OAHLLOKOSA-N 3 0 255.450 2.038 10 0 CEAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192421 176073582 /nfs/dbraw/zinc/07/35/82/176073582.db2.gz OIUNCPRVIIYHOA-XHSDSOJGSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCCN(CC(C)(C)C[NH+](C)C)C1 ZINC000071197759 176076865 /nfs/dbraw/zinc/07/68/65/176076865.db2.gz WRYNGICLJOQOMW-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCN1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198133 176077148 /nfs/dbraw/zinc/07/71/48/176077148.db2.gz HPYVOWBTGSAYPM-ZBFHGGJFSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@H]1CCCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000071200520 176077585 /nfs/dbraw/zinc/07/75/85/176077585.db2.gz IZBVKUUMDZGUMK-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071201508 176078066 /nfs/dbraw/zinc/07/80/66/176078066.db2.gz UNQPAYRIAPPGOU-HOCLYGCPSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@]1(C[NH2+]Cc2scnc2C)CCC[NH2+]C1 ZINC000071213772 176085110 /nfs/dbraw/zinc/08/51/10/176085110.db2.gz AQQKXMXTLRSWLN-ZDUSSCGKSA-N 2 0 253.415 2.321 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000071293930 176111850 /nfs/dbraw/zinc/11/18/50/176111850.db2.gz DDQQOMYWMWJASS-AWEZNQCLSA-N 2 0 270.417 2.041 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000071297371 176112794 /nfs/dbraw/zinc/11/27/94/176112794.db2.gz RVOTYHBIIBWUOX-OAHLLOKOSA-N 2 0 284.444 2.431 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CCC[NH+]1CCCC1 ZINC000071297375 176112817 /nfs/dbraw/zinc/11/28/17/176112817.db2.gz JCEINKUKYSHSRG-UHFFFAOYSA-N 2 0 270.417 2.185 10 0 CEAERP C[C@H](CNC1=[NH+]C[C@H](C2CC2)S1)C[NH+]1CCCC1 ZINC000071308126 176116045 /nfs/dbraw/zinc/11/60/45/176116045.db2.gz MUBWGCPTFVTNJV-DGCLKSJQSA-N 2 0 267.442 2.189 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307849 176116178 /nfs/dbraw/zinc/11/61/78/176116178.db2.gz ZFPPNBQBNYAZEM-DGCLKSJQSA-N 2 0 267.442 2.188 10 0 CEAERP CCCC1(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000071378489 176142889 /nfs/dbraw/zinc/14/28/89/176142889.db2.gz IEGFMSYIELHIFG-UHFFFAOYSA-N 2 0 295.471 2.147 10 0 CEAERP [NH3+][C@@H](CCC[NH+]1CCN(C2CC2)CC1)c1ccccc1 ZINC000071401842 176153707 /nfs/dbraw/zinc/15/37/07/176153707.db2.gz GNHGFZDXOALMOW-KRWDZBQOSA-N 2 0 273.424 2.247 10 0 CEAERP C[N@H+](CCC[C@H]([NH3+])c1ccccc1)C[C@@H]1CC[NH+](C)C1 ZINC000071402120 176154033 /nfs/dbraw/zinc/15/40/33/176154033.db2.gz NYJBOIHXJYSUFO-RDJZCZTQSA-N 3 0 275.440 2.350 10 0 CEAERP CC/C=C/CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184522120 270243443 /nfs/dbraw/zinc/24/34/43/270243443.db2.gz SBSUCZWHZIBMJS-NFAHFFEMSA-N 2 0 268.445 2.367 10 0 CEAERP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000398362016 270358152 /nfs/dbraw/zinc/35/81/52/270358152.db2.gz NSOQXVXRDNKNQJ-SNVBAGLBSA-N 2 0 287.176 2.287 10 0 CEAERP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2N1 ZINC000333319721 275018321 /nfs/dbraw/zinc/01/83/21/275018321.db2.gz UHSNRBPHUUZVTE-OCCSQVGLSA-N 2 0 273.380 2.049 10 0 CEAERP CC(C)[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630902 277585662 /nfs/dbraw/zinc/58/56/62/277585662.db2.gz NRYTZJUEAQUQQK-KKUMJFAQSA-N 2 0 266.429 2.262 10 0 CEAERP C[C@@H]1C[NH+](CC2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000178989466 288152472 /nfs/dbraw/zinc/15/24/72/288152472.db2.gz WTNIKCNSYRMUBN-ZIAGYGMSSA-N 2 0 266.429 2.360 10 0 CEAERP CCC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249089656 280383390 /nfs/dbraw/zinc/38/33/90/280383390.db2.gz CUKVBWHLPLCGGI-KGLIPLIRSA-N 2 0 256.434 2.200 10 0 CEAERP COc1ccc(Br)cc1C[NH2+]CC[C@H](C)[NH3+] ZINC000258783735 280526848 /nfs/dbraw/zinc/52/68/48/280526848.db2.gz PKWYHUUMAKEKNA-VIFPVBQESA-N 2 0 287.201 2.285 10 0 CEAERP FC(F)(F)c1ccccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398323707 280692169 /nfs/dbraw/zinc/69/21/69/280692169.db2.gz NRRUHJDKLKIEKQ-JTQLQIEISA-N 2 0 258.287 2.405 10 0 CEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000245437984 281199622 /nfs/dbraw/zinc/19/96/22/281199622.db2.gz RVVBDSTYCHGDGB-HOTGVXAUSA-N 2 0 265.445 2.031 10 0 CEAERP CC(C)C[NH+]1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055078515 519725777 /nfs/dbraw/zinc/72/57/77/519725777.db2.gz ZVEDMSSLHUDCKX-UHFFFAOYSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419755 519744310 /nfs/dbraw/zinc/74/43/10/519744310.db2.gz XUQVFZBCFTUFBQ-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[C@H](C[NH2+]C1CC1)OCC[C@@H]1CCC[N@@H+]1C ZINC000052672825 519815908 /nfs/dbraw/zinc/81/59/08/519815908.db2.gz VDAMRJJPJXCHET-GJZGRUSLSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+][C@H](C)CCN1CC[NH+](CC(C)C)CC1 ZINC000055079404 520061266 /nfs/dbraw/zinc/06/12/66/520061266.db2.gz RRNPASPOMLBFFR-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655149 520224212 /nfs/dbraw/zinc/22/42/12/520224212.db2.gz PGQPGRNTRYZJHF-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](CCOC)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052542678 521135468 /nfs/dbraw/zinc/13/54/68/521135468.db2.gz AOUFAVKRTSJEKY-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CCC[C@](C)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763310 521267551 /nfs/dbraw/zinc/26/75/51/521267551.db2.gz MRVUCFNKLCWGLA-HUUCEWRRSA-N 2 0 256.434 2.249 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]CC)c(C)o1 ZINC000052544172 521656572 /nfs/dbraw/zinc/65/65/72/521656572.db2.gz LVLOHAATVQRGCM-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP CCC1(CC)CC[NH+](C[C@H]2CC[C@@H](C[NH3+])O2)CC1 ZINC000062958484 521687444 /nfs/dbraw/zinc/68/74/44/521687444.db2.gz FUQBYERKRNKZLK-UONOGXRCSA-N 2 0 254.418 2.395 10 0 CEAERP C(CN1CC[C@@H]([NH+]2CCCC2)C1)[NH2+]C1CCCCC1 ZINC000062974604 518391889 /nfs/dbraw/zinc/39/18/89/518391889.db2.gz CGUWUVIMBGAIDR-MRXNPFEDSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCOC(C)(C)C2)O1 ZINC000052481897 518763304 /nfs/dbraw/zinc/76/33/04/518763304.db2.gz URBUUPSRHAZLFI-ZIAGYGMSSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[NH+]1CCN(c2nc(C[NH3+])cc3ccccc32)CC1 ZINC000051396994 519683529 /nfs/dbraw/zinc/68/35/29/519683529.db2.gz PJFFNFNQAHFBSE-UHFFFAOYSA-N 2 0 284.407 2.224 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC([NH+](C)C)CC2)c1 ZINC000051444783 519727678 /nfs/dbraw/zinc/72/76/78/519727678.db2.gz BODDAUFSYYVOEF-UHFFFAOYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055077893 519728070 /nfs/dbraw/zinc/72/80/70/519728070.db2.gz JGOHHQHGMRZURJ-MRXNPFEDSA-N 2 0 297.393 2.238 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077568 519728601 /nfs/dbraw/zinc/72/86/01/519728601.db2.gz CBBJEKZAXYQOER-HOTGVXAUSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C)O1 ZINC000052376106 519746398 /nfs/dbraw/zinc/74/63/98/519746398.db2.gz DBWDRJPZWSNEHR-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052571930 519772607 /nfs/dbraw/zinc/77/26/07/519772607.db2.gz PNEWZMFRMPEGJS-CQSZACIVSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC000062771973 519795037 /nfs/dbraw/zinc/79/50/37/519795037.db2.gz CBDOSQOETUWWKQ-DOTOQJQBSA-N 2 0 293.455 2.072 10 0 CEAERP CCCC1CC[NH+](CC2(C[NH3+])CCOCC2)CC1 ZINC000052182118 519900669 /nfs/dbraw/zinc/90/06/69/519900669.db2.gz LWNNQXBFCHIXCA-UHFFFAOYSA-N 2 0 254.418 2.254 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000061298255 519904947 /nfs/dbraw/zinc/90/49/47/519904947.db2.gz XAGMNQQLIKSONB-CJNGLKHVSA-N 2 0 283.460 2.001 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000061292683 519906977 /nfs/dbraw/zinc/90/69/77/519906977.db2.gz NTKPTMQRXZNJCQ-UHFFFAOYSA-N 2 0 263.385 2.075 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](C)CC1 ZINC000054629328 519907795 /nfs/dbraw/zinc/90/77/95/519907795.db2.gz ZBTPUOHFKIMKRL-ALOPSCKCSA-N 3 0 279.472 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054602290 519909663 /nfs/dbraw/zinc/90/96/63/519909663.db2.gz PKSDJUNJLGYUQW-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H](C)COCC ZINC000054602832 519909687 /nfs/dbraw/zinc/90/96/87/519909687.db2.gz JGZILRVRZZDPIT-AVOUXACISA-N 2 0 254.418 2.406 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)C[C@@H](C)CC)CCOCC1 ZINC000052181438 519911882 /nfs/dbraw/zinc/91/18/82/519911882.db2.gz ONJNPPQPNFQOGW-AWEZNQCLSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061654636 519913506 /nfs/dbraw/zinc/91/35/06/519913506.db2.gz HEEUAOHSUJBHTB-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N(CC[NH+](C)C)CC(C)C ZINC000052503277 519921003 /nfs/dbraw/zinc/92/10/03/519921003.db2.gz JLSXCQPHGHNMGP-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH2+]C[C@@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000052372894 519943542 /nfs/dbraw/zinc/94/35/42/519943542.db2.gz BKBCAQVADPUVPW-CYBMUJFWSA-N 2 0 250.386 2.373 10 0 CEAERP CC[NH2+]C[C@@H](CC)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052416941 519944952 /nfs/dbraw/zinc/94/49/52/519944952.db2.gz SJTDUCPXZDOSSI-IAGOWNOFSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCCC2)O1 ZINC000052425067 519955091 /nfs/dbraw/zinc/95/50/91/519955091.db2.gz NPYUDUFKWLOKIX-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000054905571 519962652 /nfs/dbraw/zinc/96/26/52/519962652.db2.gz YCXZBMDUWMECEB-LBPRGKRZSA-N 2 0 282.457 2.173 10 0 CEAERP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000052541574 519970298 /nfs/dbraw/zinc/97/02/98/519970298.db2.gz ABVIMJWBXLVALD-ZDUSSCGKSA-N 2 0 250.386 2.373 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC[NH+]1CCCC1)C(C)(C)C ZINC000063051831 520006545 /nfs/dbraw/zinc/00/65/45/520006545.db2.gz VBTKPKNBSUJGIY-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1nc(C(C)C)ncc1OCCC[NH+](C)C ZINC000051549325 520020071 /nfs/dbraw/zinc/02/00/71/520020071.db2.gz CLUNZXQMDBMQJP-UHFFFAOYSA-N 2 0 280.416 2.040 10 0 CEAERP CCC[NH2+][C@H](C)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643382 520061362 /nfs/dbraw/zinc/06/13/62/520061362.db2.gz VMAFYDQXRFNLFM-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079369 520092847 /nfs/dbraw/zinc/09/28/47/520092847.db2.gz FMFMSAZNQCUGGJ-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000061268943 520165471 /nfs/dbraw/zinc/16/54/71/520165471.db2.gz YCAPGLVLSVNXOL-OAHLLOKOSA-N 2 0 291.439 2.013 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065648 520213236 /nfs/dbraw/zinc/21/32/36/520213236.db2.gz XOTSMKBLSRCJND-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054251 520223574 /nfs/dbraw/zinc/22/35/74/520223574.db2.gz XNKWYVACMNPAMM-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC1(C)CC[NH+](C[C@@H](O)COc2ccc(C[NH3+])cc2)CC1 ZINC000061818707 520378521 /nfs/dbraw/zinc/37/85/21/520378521.db2.gz IICKVWLUYQAALL-OAHLLOKOSA-N 2 0 292.423 2.007 10 0 CEAERP CCCC[N@H+](CCN1CCC[NH2+]CC1)[C@@H](C)CC ZINC000061275528 520508061 /nfs/dbraw/zinc/50/80/61/520508061.db2.gz JMGCEHBBUIQTIJ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054290158 520626599 /nfs/dbraw/zinc/62/65/99/520626599.db2.gz XYGGBXCVMFOZQB-CABCVRRESA-N 2 0 283.460 2.003 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2ccc(C[NH3+])cc2)C1 ZINC000062971960 520873743 /nfs/dbraw/zinc/87/37/43/520873743.db2.gz QXEQVDAGSIZQDV-INIZCTEOSA-N 2 0 261.413 2.061 10 0 CEAERP CC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)CC1 ZINC000052377152 521019278 /nfs/dbraw/zinc/01/92/78/521019278.db2.gz XFIOESFGROGWBV-CABCVRRESA-N 2 0 252.402 2.018 10 0 CEAERP CCC[C@H](CN1CC[NH+]([C@@H](C)CC)CC1)[NH2+]CC ZINC000055065009 521100013 /nfs/dbraw/zinc/10/00/13/521100013.db2.gz KAEXALFUDBNREW-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](Cc1cccc(C[NH2+]C)c1)[C@H](C)COC ZINC000052504740 521340069 /nfs/dbraw/zinc/34/00/69/521340069.db2.gz POFGTDAVUDQZPS-CYBMUJFWSA-N 2 0 250.386 2.263 10 0 CEAERP CCC(CC)C[N@H+](CC)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000052540681 521520181 /nfs/dbraw/zinc/52/01/81/521520181.db2.gz NYQSIMYQZRZLEB-UHFFFAOYSA-N 2 0 293.459 2.288 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150107 521650587 /nfs/dbraw/zinc/65/05/87/521650587.db2.gz WPGJYKOHHMZZFL-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484100 521656317 /nfs/dbraw/zinc/65/63/17/521656317.db2.gz SKUSPLCDQPEEAY-IAGOWNOFSA-N 2 0 298.471 2.281 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@H](C)C[NH2+]CC(C)C ZINC000052544156 521656668 /nfs/dbraw/zinc/65/66/68/521656668.db2.gz LECLOKVIEAIJOA-OAHLLOKOSA-N 2 0 257.466 2.142 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CC1(C[NH2+]C2CC2)CCCC1 ZINC000061653508 521836954 /nfs/dbraw/zinc/83/69/54/521836954.db2.gz BEHFRYMVXNYPNT-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)[NH+]1CCCCC1 ZINC000054629474 521955431 /nfs/dbraw/zinc/95/54/31/521955431.db2.gz DNQPTBCKMPFRHA-WZYMTQMTSA-N 2 0 265.445 2.076 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000052181015 521972431 /nfs/dbraw/zinc/97/24/31/521972431.db2.gz JJLGWCJHDNDZOY-UHFFFAOYSA-N 2 0 274.408 2.061 10 0 CEAERP C[NH2+]CC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000063165999 521978009 /nfs/dbraw/zinc/97/80/09/521978009.db2.gz QQGWKVXPULCTTN-UHFFFAOYSA-N 2 0 259.353 2.259 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374732 521997871 /nfs/dbraw/zinc/99/78/71/521997871.db2.gz GRTIJVYNUJSLSI-CQSZACIVSA-N 2 0 279.403 2.336 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482116 522094174 /nfs/dbraw/zinc/09/41/74/522094174.db2.gz SAHHBMMCNGEABS-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055082849 522117271 /nfs/dbraw/zinc/11/72/71/522117271.db2.gz SLQPWCSPAZFUQH-UHFFFAOYSA-N 2 0 275.440 2.180 10 0 CEAERP C[NH2+]Cc1coc(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000052503356 522148299 /nfs/dbraw/zinc/14/82/99/522148299.db2.gz YSUSPIHYGGPBHU-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP CCc1nc(N2CC[NH+](CC(C)C)CC2)sc1C[NH2+]C ZINC000055076617 522385809 /nfs/dbraw/zinc/38/58/09/522385809.db2.gz RADFXFNWIAQBRR-UHFFFAOYSA-N 2 0 296.484 2.203 10 0 CEAERP CN(C1CC[NH+](C)CC1)[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000052684808 522415314 /nfs/dbraw/zinc/41/53/14/522415314.db2.gz KIYLZVNILKGMOU-MSOLQXFVSA-N 2 0 287.451 2.417 10 0 CEAERP C[NH2+][C@H](C)c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054908865 522453713 /nfs/dbraw/zinc/45/37/13/522453713.db2.gz IOSWKWDAHQYXLQ-LLVKDONJSA-N 2 0 282.457 2.344 10 0 CEAERP CC[C@@H](C[NH2+]C)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702404 522545633 /nfs/dbraw/zinc/54/56/33/522545633.db2.gz FLTNIKMIJKXCOU-HOTGVXAUSA-N 2 0 262.397 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642248 522654262 /nfs/dbraw/zinc/65/42/62/522654262.db2.gz DMXDTUPIVQHWNL-IIAWOOMASA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643463 523088993 /nfs/dbraw/zinc/08/89/93/523088993.db2.gz HIVDPBNUTJSOBG-IXDOHACOSA-N 2 0 275.440 2.491 10 0 CEAERP COCCC[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000062035511 523228538 /nfs/dbraw/zinc/22/85/38/523228538.db2.gz IXJSHOCCBASZGT-ILXRZTDVSA-N 2 0 256.434 2.354 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C[NH3+] ZINC000069401740 523344274 /nfs/dbraw/zinc/34/42/74/523344274.db2.gz HPMKCPZTHYFORT-OAHLLOKOSA-N 2 0 294.370 2.202 10 0 CEAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643431 523353660 /nfs/dbraw/zinc/35/36/60/523353660.db2.gz LJLDEOGESVCHEI-KLHDSHLOSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1CSC(N[C@H](CC(C)C)C[NH+](C)C)=[NH+]1 ZINC000049559158 523356036 /nfs/dbraw/zinc/35/60/36/523356036.db2.gz PDTYFUISSKAAFU-NWDGAFQWSA-N 2 0 257.447 2.434 10 0 CEAERP CC[C@@H]1CC[C@H]([NH3+])[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000062979386 523368658 /nfs/dbraw/zinc/36/86/58/523368658.db2.gz PXSMSVLVQOSLGR-LTIDMASMSA-N 2 0 279.472 2.453 10 0 CEAERP COCC[N@H+](C)CCn1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000061380815 523618418 /nfs/dbraw/zinc/61/84/18/523618418.db2.gz KERRCHYEYKVBMN-AWEZNQCLSA-N 2 0 279.428 2.039 10 0 CEAERP COCC[NH+](CCOC)Cc1ccccc1C[NH2+]C(C)C ZINC000052571513 523718863 /nfs/dbraw/zinc/71/88/63/523718863.db2.gz FHNBSCBXRAANFH-UHFFFAOYSA-N 2 0 294.439 2.279 10 0 CEAERP COCC[N@H+](Cc1ccoc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052572353 523770407 /nfs/dbraw/zinc/77/04/07/523770407.db2.gz QRZJVIHLSQOSLM-CYBMUJFWSA-N 2 0 296.411 2.015 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055063649 523958431 /nfs/dbraw/zinc/95/84/31/523958431.db2.gz CLZQVZCDGXNQEP-JSGCOSHPSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055064245 523959373 /nfs/dbraw/zinc/95/93/73/523959373.db2.gz SINFHTCOKHQQDG-DOTOQJQBSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064070 523959425 /nfs/dbraw/zinc/95/94/25/523959425.db2.gz PQQYXDSCBQZTQE-GXTWGEPZSA-N 2 0 265.401 2.004 10 0 CEAERP C[NH+](C)C1CCN(Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052477618 524040076 /nfs/dbraw/zinc/04/00/76/524040076.db2.gz CJZJAUFVXHMQPF-UHFFFAOYSA-N 2 0 277.412 2.058 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cccc2cccnc21 ZINC000069502840 524053481 /nfs/dbraw/zinc/05/34/81/524053481.db2.gz RSUYFMCGFDSKLP-MRXNPFEDSA-N 2 0 286.423 2.118 10 0 CEAERP C[NH+](C)CCCN1CC(C)(C)[NH2+]C[C@H]1c1ccccc1 ZINC000062669323 524055429 /nfs/dbraw/zinc/05/54/29/524055429.db2.gz QHDQVUIQRDEION-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000049562080 524160885 /nfs/dbraw/zinc/16/08/85/524160885.db2.gz XPEISTXHKGJVTR-NEPJUHHUSA-N 2 0 278.400 2.168 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]CCCOc1ccccc1 ZINC000061815749 524162387 /nfs/dbraw/zinc/16/23/87/524162387.db2.gz WQFOMOBJQCMRDL-CQSZACIVSA-N 2 0 250.386 2.385 10 0 CEAERP C[C@H]1CCC[C@H]([NH3+])[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125549 524204842 /nfs/dbraw/zinc/20/48/42/524204842.db2.gz JOKPHYFNVRZQMH-YHUYYLMFSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571578 524732905 /nfs/dbraw/zinc/73/29/05/524732905.db2.gz UCNNTOGYMIOKKW-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642031 524854091 /nfs/dbraw/zinc/85/40/91/524854091.db2.gz LVLGGOQHMIGVFK-NUEKZKHPSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N2CCC[C@H]2C[NH+](C)C)c1 ZINC000061655766 524868795 /nfs/dbraw/zinc/86/87/95/524868795.db2.gz ZGSLDQKHMKKVFV-WFASDCNBSA-N 2 0 290.411 2.264 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)ccc1F ZINC000055077957 525535498 /nfs/dbraw/zinc/53/54/98/525535498.db2.gz RQOUJLQDBZWRAX-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@H]1CCC(=O)[C@@H](C[NH+]2CCC(C[NH+](C)C)CC2)C1 ZINC000053928898 526236540 /nfs/dbraw/zinc/23/65/40/526236540.db2.gz NTBFFEJXYAQPGJ-DZGCQCFKSA-N 2 0 266.429 2.265 10 0 CEAERP c1ccc2c(c1)C[NH2+]CCN2CC[NH+]1CCCCC1 ZINC000062655559 526506410 /nfs/dbraw/zinc/50/64/10/526506410.db2.gz BCURGCGBKPEPBM-UHFFFAOYSA-N 2 0 259.397 2.082 10 0 CEAERP NC(=[NH2+])c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)ccn1 ZINC000068761260 526819145 /nfs/dbraw/zinc/81/91/45/526819145.db2.gz NFXRYHSXWKVMEE-UONOGXRCSA-N 2 0 272.396 2.378 10 0 CEAERP OC1(C[NH+]2CCC3(CCCCC3)CC2)CC[NH2+]CC1 ZINC000061820096 527506396 /nfs/dbraw/zinc/50/63/96/527506396.db2.gz NVINJRZTVATCNM-UHFFFAOYSA-N 2 0 266.429 2.147 10 0 CEAERP CC(C)C[NH2+]Cc1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091431909 535169624 /nfs/dbraw/zinc/16/96/24/535169624.db2.gz UOHYJQFQYIDBKA-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000261553162 623374592 /nfs/dbraw/zinc/37/45/92/623374592.db2.gz SESSNRWAFOAXPJ-WDSOQIARSA-N 3 0 299.462 2.239 10 0 CEAERP [NH3+]Cc1ccc(-c2noc(C[C@H]3CCC[NH2+]CC3)n2)cc1 ZINC000262067360 624423504 /nfs/dbraw/zinc/42/35/04/624423504.db2.gz RSLNNWOZLDLOLS-LBPRGKRZSA-N 2 0 286.379 2.128 10 0 CEAERP CC/C=C(/C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCC2)C1 ZINC000229785280 639720008 /nfs/dbraw/zinc/72/00/08/639720008.db2.gz UERRTPYFPMBVNY-XXUROBRHSA-N 2 0 293.455 2.052 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000020128479 649728429 /nfs/dbraw/zinc/72/84/29/649728429.db2.gz UVPGMNLQIHFLKI-HZPDHXFCSA-N 2 0 281.488 2.428 10 0 CEAERP c1coc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000133567446 652665037 /nfs/dbraw/zinc/66/50/37/652665037.db2.gz NPRMFHVLQUQJMT-GJZGRUSLSA-N 2 0 277.412 2.148 10 0 CEAERP C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccc(F)cc21 ZINC000082509363 178076168 /nfs/dbraw/zinc/07/61/68/178076168.db2.gz MRSQURKIHMJTTH-CYBMUJFWSA-N 2 0 264.344 2.333 10 0 CEAERP C[C@@H]1CCC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000124112481 365645203 /nfs/dbraw/zinc/64/52/03/365645203.db2.gz PPSOUSSCKCTEKH-PMPSAXMXSA-N 2 0 268.445 2.249 10 0 CEAERP [NH3+]CC[C@@H]([NH3+])c1ccc(Cl)cc1Br ZINC000306959900 344718989 /nfs/dbraw/zinc/71/89/89/344718989.db2.gz YNNGYLATQKCRAI-SECBINFHSA-N 2 0 263.566 2.451 10 0 CEAERP C[N@@H+](Cc1ccc(CO)cc1)C[C@@H]1CCc2nccn2C1 ZINC000328652640 344757932 /nfs/dbraw/zinc/75/79/32/344757932.db2.gz WOBKIFCJZJIBNZ-INIZCTEOSA-N 2 0 285.391 2.070 10 0 CEAERP C[NH+](C)C1(CNC(=O)CC2([NH3+])CCCCC2)CCCCC1 ZINC000084183990 178817868 /nfs/dbraw/zinc/81/78/68/178817868.db2.gz QOSLKJIXDVICEV-UHFFFAOYSA-N 2 0 295.471 2.419 10 0 CEAERP CCC[NH+]1CCN(C2(C[NH3+])C[C@H](C)C[C@H](C)C2)CC1 ZINC000084469791 178893505 /nfs/dbraw/zinc/89/35/05/178893505.db2.gz AHWICAUZKWSNRM-XYPWUTKMSA-N 2 0 267.461 2.168 10 0 CEAERP C[NH2+][C@](C)(CO)CCC[NH+](CC(C)C)CC(C)C ZINC000085241498 178981531 /nfs/dbraw/zinc/98/15/31/178981531.db2.gz FBMXDIXCMUWOTI-HNNXBMFYSA-N 2 0 258.450 2.351 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000085364728 179036205 /nfs/dbraw/zinc/03/62/05/179036205.db2.gz JGKTWKRVXSSTPH-LSDHHAIUSA-N 2 0 287.407 2.348 10 0 CEAERP COCCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403709 179053351 /nfs/dbraw/zinc/05/33/51/179053351.db2.gz WCQJHBSOHRPHGF-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626604 179106665 /nfs/dbraw/zinc/10/66/65/179106665.db2.gz RBUAJFVMVWFMNX-QEJZJMRPSA-N 2 0 252.402 2.018 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@H](CC(C)C)[NH2+]CC[C@@H]1C ZINC000085621888 179105429 /nfs/dbraw/zinc/10/54/29/179105429.db2.gz YJNGXFGGIFMZNH-HOCLYGCPSA-N 2 0 278.444 2.290 10 0 CEAERP CCCO[C@H]1CCC[N@@H+]([C@@](CC)(CN)C2CC2)C1 ZINC000086120433 179234924 /nfs/dbraw/zinc/23/49/24/179234924.db2.gz PGLVEFLRXLCQOV-GJZGRUSLSA-N 2 0 254.418 2.395 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000086146567 179238707 /nfs/dbraw/zinc/23/87/07/179238707.db2.gz YWEIMYMTVOOWJV-WMZOPIPTSA-N 2 0 287.451 2.363 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CN2CC[NH2+]C3(CCCCC3)C2)C1 ZINC000086146530 179238295 /nfs/dbraw/zinc/23/82/95/179238295.db2.gz BRTGOLDAYQMNII-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[C@@H]1CN(C[C@@H]2CCCC[N@@H+]2C)[C@H](C(C)C)C[NH2+]1 ZINC000086173759 179244786 /nfs/dbraw/zinc/24/47/86/179244786.db2.gz CPGBFYFSCGXKOI-ULQDDVLXSA-N 2 0 281.488 2.425 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000086145727 179239257 /nfs/dbraw/zinc/23/92/57/179239257.db2.gz KGAZNWSCDHYSPJ-GOSISDBHSA-N 2 0 287.451 2.365 10 0 CEAERP CC[C@H]1C[NH2+]C(CC)(CC)CN1C1CC[NH+](C)CC1 ZINC000086217802 179249299 /nfs/dbraw/zinc/24/92/99/179249299.db2.gz JHNGHMCSJDVUGL-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225420 179252913 /nfs/dbraw/zinc/25/29/13/179252913.db2.gz GZKWTPSKMUPNGJ-HZPDHXFCSA-N 2 0 279.472 2.467 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086225398 179253000 /nfs/dbraw/zinc/25/30/00/179253000.db2.gz MRSMMEGWSYUMEU-HOTGVXAUSA-N 2 0 279.472 2.467 10 0 CEAERP CC[C@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259160 179257886 /nfs/dbraw/zinc/25/78/86/179257886.db2.gz FJDUOXKXZZCJMJ-DLBZAZTESA-N 2 0 279.472 2.181 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086291430 179265421 /nfs/dbraw/zinc/26/54/21/179265421.db2.gz OMTUTZQLRKPGDN-UHFFFAOYSA-N 3 0 279.472 2.326 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259224 179258586 /nfs/dbraw/zinc/25/85/86/179258586.db2.gz OLRRCYQUADKSIX-HYVNUMGLSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@@H]1CN[C@@H](CC(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261127 179260517 /nfs/dbraw/zinc/26/05/17/179260517.db2.gz NFFLNLIJHADBFD-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP COC[C@@H](C)[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000086269642 179262239 /nfs/dbraw/zinc/26/22/39/179262239.db2.gz MWXSBNLVXHMONW-HIFRSBDPSA-N 2 0 254.418 2.266 10 0 CEAERP CCC1(CC)C[N@@H+]([C@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287125 179264343 /nfs/dbraw/zinc/26/43/43/179264343.db2.gz RXFYWTXRWGXGSR-KGLIPLIRSA-N 2 0 254.418 2.408 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290462 179265265 /nfs/dbraw/zinc/26/52/65/179265265.db2.gz NCMGODXOFYGGGZ-SOUVJXGZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086259076 179256773 /nfs/dbraw/zinc/25/67/73/179256773.db2.gz NQPQAPLILGUWNL-CVEARBPZSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@H](C(C)C)C2)CC1 ZINC000086290280 179265823 /nfs/dbraw/zinc/26/58/23/179265823.db2.gz QGIREIVKXBCNOT-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@H](CC(C)C)C2)CC1 ZINC000086291493 179266419 /nfs/dbraw/zinc/26/64/19/179266419.db2.gz GYOIIMWWNGSTKD-QGZVFWFLSA-N 2 0 281.488 2.428 10 0 CEAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086400830 179285039 /nfs/dbraw/zinc/28/50/39/179285039.db2.gz RHYYITNDLOHUQX-BDAKNGLRSA-N 2 0 275.215 2.480 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086399467 179285367 /nfs/dbraw/zinc/28/53/67/179285367.db2.gz DZSXYUSCIVQEEB-HTQZYQBOSA-N 2 0 275.215 2.480 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086399729 179285371 /nfs/dbraw/zinc/28/53/71/179285371.db2.gz ROIKHTZIIOOGLB-NWDGAFQWSA-N 2 0 269.186 2.419 10 0 CEAERP C[N@H+](CCc1cccs1)Cc1cc[nH+]c(NN)c1 ZINC000086441615 179293068 /nfs/dbraw/zinc/29/30/68/179293068.db2.gz BQZLBFAYKVOBGQ-UHFFFAOYSA-N 2 0 262.382 2.103 10 0 CEAERP C[C@@H]1CN([C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000086466759 179297210 /nfs/dbraw/zinc/29/72/10/179297210.db2.gz UIDHHIIIXGQROD-SOLBZPMBSA-N 2 0 287.451 2.333 10 0 CEAERP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000086585496 179309819 /nfs/dbraw/zinc/30/98/19/179309819.db2.gz AHOHCJPLEOPUTR-GFCCVEGCSA-N 2 0 268.788 2.390 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817225 179344860 /nfs/dbraw/zinc/34/48/60/179344860.db2.gz GRZHGVURSRMQLL-AWEZNQCLSA-N 2 0 276.380 2.032 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847597 179356279 /nfs/dbraw/zinc/35/62/79/179356279.db2.gz BWZQKYBEZPHIJM-MRXNPFEDSA-N 2 0 279.428 2.305 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848500 179356385 /nfs/dbraw/zinc/35/63/85/179356385.db2.gz CKRPTXCUZPLFNX-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840342 179351591 /nfs/dbraw/zinc/35/15/91/179351591.db2.gz FQRDGFUMUBDEGL-HNNXBMFYSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000086843447 179353853 /nfs/dbraw/zinc/35/38/53/179353853.db2.gz FOXOXDGDZCRGGJ-LSDHHAIUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845188 179354581 /nfs/dbraw/zinc/35/45/81/179354581.db2.gz VAUPCHZIWCOFTD-LBPRGKRZSA-N 2 0 282.350 2.419 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](CO)([NH2+]C2CCCC2)CC1 ZINC000086868234 179360896 /nfs/dbraw/zinc/36/08/96/179360896.db2.gz YRUNYKAQJAZGOX-HNNXBMFYSA-N 2 0 254.418 2.144 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086867743 179360997 /nfs/dbraw/zinc/36/09/97/179360997.db2.gz XZNKHZJOFZTOBQ-GJZGRUSLSA-N 2 0 254.418 2.144 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000086891453 179365965 /nfs/dbraw/zinc/36/59/65/179365965.db2.gz WKLFHSKKJRSIFZ-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(OC)c(F)c1 ZINC000086992006 179375402 /nfs/dbraw/zinc/37/54/02/179375402.db2.gz NBGJPGWWZBAGSY-OAHLLOKOSA-N 2 0 297.418 2.108 10 0 CEAERP CC(C)CC[NH+]1CCN(C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087696973 179472157 /nfs/dbraw/zinc/47/21/57/179472157.db2.gz CRZUCSWIAXEJOM-JKSUJKDBSA-N 2 0 297.487 2.330 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1OC ZINC000400712261 233180983 /nfs/dbraw/zinc/18/09/83/233180983.db2.gz MNZKQZSDVBLIJI-OUCADQQQSA-N 2 0 278.396 2.352 10 0 CEAERP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400753363 233181401 /nfs/dbraw/zinc/18/14/01/233181401.db2.gz WGVJDUNCFSRJLO-SZMVWBNQSA-N 2 0 287.451 2.239 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[N@H+](C)Cc1ccc(C)cc1 ZINC000090566077 180006032 /nfs/dbraw/zinc/00/60/32/180006032.db2.gz VAHJOHBGKIIGNW-IRXDYDNUSA-N 2 0 276.424 2.441 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH2+]CC1(C)CCCC1 ZINC000090566999 180006500 /nfs/dbraw/zinc/00/65/00/180006500.db2.gz RZZORHQQTBMXJB-KBPBESRZSA-N 2 0 254.418 2.171 10 0 CEAERP C[N@H+](CCOCC(F)(F)F)CC[C@@H]1CCCC[NH2+]1 ZINC000090693449 180025355 /nfs/dbraw/zinc/02/53/55/180025355.db2.gz WKSQOVTXJOSQGJ-NSHDSACASA-N 2 0 268.323 2.029 10 0 CEAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694533 180026181 /nfs/dbraw/zinc/02/61/81/180026181.db2.gz XBUIKRUFSKTOEF-SQWLQELKSA-N 2 0 295.471 2.144 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773159 180037958 /nfs/dbraw/zinc/03/79/58/180037958.db2.gz JPPGLVQJZLPJQS-HZPDHXFCSA-N 2 0 297.487 2.343 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@H]2Cc3ccccc3O2)CC1 ZINC000090874473 180050208 /nfs/dbraw/zinc/05/02/08/180050208.db2.gz ZCBPMHMSVFTACF-MRXNPFEDSA-N 2 0 274.408 2.312 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090875386 180050801 /nfs/dbraw/zinc/05/08/01/180050801.db2.gz CNDVIVQZOIYBEY-INIZCTEOSA-N 2 0 274.408 2.312 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[N@@H+](CCC[NH3+])C(C)C)O2 ZINC000090896977 180057043 /nfs/dbraw/zinc/05/70/43/180057043.db2.gz LNZIEPNBPOBYAM-HNNXBMFYSA-N 2 0 262.397 2.358 10 0 CEAERP [NH3+]CC1CC[NH+](C[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000090900063 180058627 /nfs/dbraw/zinc/05/86/27/180058627.db2.gz VMJJWWONDWUZJW-CQSZACIVSA-N 2 0 280.799 2.314 10 0 CEAERP CC(C)CN(CC[NH+](C)C)Cc1csc([C@H](C)[NH3+])n1 ZINC000090958366 180075105 /nfs/dbraw/zinc/07/51/05/180075105.db2.gz SOVTVSSXUAOPPU-LBPRGKRZSA-N 2 0 284.473 2.182 10 0 CEAERP C[C@@H]1CC[C@@H](C)[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958812 180075265 /nfs/dbraw/zinc/07/52/65/180075265.db2.gz DMBPZBSTJMFWHH-GHMZBOCLSA-N 2 0 253.415 2.265 10 0 CEAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000091019732 180087882 /nfs/dbraw/zinc/08/78/82/180087882.db2.gz DUTBIGTUQHOLAZ-VXGBXAGGSA-N 2 0 258.369 2.122 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019759 180088087 /nfs/dbraw/zinc/08/80/87/180088087.db2.gz AIXBXWJPZJSOMR-NEPJUHHUSA-N 2 0 258.369 2.122 10 0 CEAERP C[N@@H+](Cc1ccc2ccccc2n1)CC1CC([NH3+])C1 ZINC000091477728 180165932 /nfs/dbraw/zinc/16/59/32/180165932.db2.gz WZLZLKONVUKUGZ-UHFFFAOYSA-N 2 0 255.365 2.404 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCC(C)CC1 ZINC000091499444 180173851 /nfs/dbraw/zinc/17/38/51/180173851.db2.gz YJKYDWIGCQDHNH-UHFFFAOYSA-N 2 0 282.472 2.495 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091393874 180145524 /nfs/dbraw/zinc/14/55/24/180145524.db2.gz WEMHLKKFOIESNN-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393314 180145769 /nfs/dbraw/zinc/14/57/69/180145769.db2.gz GTFXAUAFQBLXSH-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2cc3ccccc3o2)C1 ZINC000091395478 180146596 /nfs/dbraw/zinc/14/65/96/180146596.db2.gz QQPYPMOIDJMDEC-GJZGRUSLSA-N 2 0 287.407 2.459 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000091405126 180147245 /nfs/dbraw/zinc/14/72/45/180147245.db2.gz MXSVLKOZIMILKM-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000091405065 180147489 /nfs/dbraw/zinc/14/74/89/180147489.db2.gz FRFMGCUARKASDX-LSDHHAIUSA-N 2 0 269.477 2.284 10 0 CEAERP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C[NH2+]C(C)C ZINC000091430346 180152775 /nfs/dbraw/zinc/15/27/75/180152775.db2.gz ADRPBGZYIGKKIW-ZDUSSCGKSA-N 2 0 296.484 2.480 10 0 CEAERP CC[NH+](CC)[C@@](C)(CC)[C@H](O)Cc1c[nH+]ccc1N ZINC000091573028 180196174 /nfs/dbraw/zinc/19/61/74/180196174.db2.gz WLZCJYWXMMEHFB-CABCVRRESA-N 2 0 265.401 2.078 10 0 CEAERP CC[C@](C)([C@@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606081 180204127 /nfs/dbraw/zinc/20/41/27/180204127.db2.gz SLVGHALVQZDSSZ-GDBMZVCRSA-N 2 0 276.428 2.059 10 0 CEAERP CCc1cc(C[C@@H]([NH3+])CC[NH+](CC)CC)n(CC)n1 ZINC000091715847 180232902 /nfs/dbraw/zinc/23/29/02/180232902.db2.gz BXENYAKKSNJUEN-ZDUSSCGKSA-N 2 0 266.433 2.067 10 0 CEAERP CC[NH2+][C@H](CC[NH+](CC)CC)Cc1cnn(CC)c1 ZINC000091716479 180232919 /nfs/dbraw/zinc/23/29/19/180232919.db2.gz VNGJQYJRDIKYMP-OAHLLOKOSA-N 2 0 266.433 2.156 10 0 CEAERP CCC[N@H+](Cc1nccn1CC)C1CCC([NH3+])CC1 ZINC000091852627 180272767 /nfs/dbraw/zinc/27/27/67/180272767.db2.gz ITMYXOCQXXZMNQ-UHFFFAOYSA-N 2 0 264.417 2.385 10 0 CEAERP CCC[N@H+](C[C@@H](C)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852399 180273173 /nfs/dbraw/zinc/27/31/73/180273173.db2.gz DASXJJCJZZAXNH-IYXRBSQSSA-N 2 0 270.417 2.168 10 0 CEAERP CC[C@@H]([NH3+])c1ccn(C[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091816428 180261700 /nfs/dbraw/zinc/26/17/00/180261700.db2.gz NMHRGXUJUSDFCY-HUUCEWRRSA-N 2 0 265.401 2.007 10 0 CEAERP CC[C@H]([NH3+])c1ccn(C[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091816429 180262098 /nfs/dbraw/zinc/26/20/98/180262098.db2.gz NMHRGXUJUSDFCY-GJZGRUSLSA-N 2 0 265.401 2.007 10 0 CEAERP CC(C)[C@@H]1C[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091844003 180269126 /nfs/dbraw/zinc/26/91/26/180269126.db2.gz LAYPZJAHGSFMDH-WUCCLRPBSA-N 2 0 254.418 2.392 10 0 CEAERP Cc1ccc(F)cc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000091847191 180270385 /nfs/dbraw/zinc/27/03/85/180270385.db2.gz HCVVVHRLWAOSHW-UHFFFAOYSA-N 2 0 293.386 2.274 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H]2COc3cc(O)ccc32)CC1 ZINC000091870945 180277182 /nfs/dbraw/zinc/27/71/82/180277182.db2.gz UYGWCGPPTWUGOF-QOZQQMKHSA-N 2 0 276.380 2.288 10 0 CEAERP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870684 180277330 /nfs/dbraw/zinc/27/73/30/180277330.db2.gz FEGSERYYOIPNBV-IYXRBSQSSA-N 2 0 283.460 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCCOCC(F)(F)F)CC1 ZINC000091870481 180277557 /nfs/dbraw/zinc/27/75/57/180277557.db2.gz WORGLMUKOYKGGS-UHFFFAOYSA-N 2 0 282.350 2.418 10 0 CEAERP C[C@](O)([C@H]1CCC[NH2+]C1)C1(C[NH3+])CCC(C)(C)CC1 ZINC000091907935 180284281 /nfs/dbraw/zinc/28/42/81/180284281.db2.gz JYCUXHBMUMDTFM-ZFWWWQNUSA-N 2 0 268.445 2.282 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922723 180286900 /nfs/dbraw/zinc/28/69/00/180286900.db2.gz APJXZTRVICKPNR-HNNXBMFYSA-N 2 0 254.418 2.131 10 0 CEAERP CC[NH2+]Cc1cccc2c1ccn2C[C@@H]1C[N@H+](C)CCO1 ZINC000092060165 180315146 /nfs/dbraw/zinc/31/51/46/180315146.db2.gz RPTKSDOIWTZKDP-HNNXBMFYSA-N 2 0 287.407 2.081 10 0 CEAERP C[NH2+]C1(CCN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000092005507 180305581 /nfs/dbraw/zinc/30/55/81/180305581.db2.gz QYZBKGVTDLPMBW-CVEARBPZSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092203689 180343317 /nfs/dbraw/zinc/34/33/17/180343317.db2.gz YUWRYHRQMXUJTJ-GJZGRUSLSA-N 2 0 287.407 2.370 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092300545 180358440 /nfs/dbraw/zinc/35/84/40/180358440.db2.gz UMEQQQYGCFNRTD-LSDHHAIUSA-N 2 0 274.408 2.483 10 0 CEAERP CCCCC[C@@](C)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000106025509 186098941 /nfs/dbraw/zinc/09/89/41/186098941.db2.gz NSAIOWDHSHIKRJ-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP Cc1cc(NS(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)cc[nH+]1 ZINC000092364748 180368191 /nfs/dbraw/zinc/36/81/91/180368191.db2.gz SIUOSEAJTPFDLV-NSHDSACASA-N 2 0 291.376 2.211 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC2=[NH+][C@@H](C(C)C)CS2)C1 ZINC000092402330 180377370 /nfs/dbraw/zinc/37/73/70/180377370.db2.gz YUJFFHPFXLEFAJ-VXGBXAGGSA-N 2 0 255.431 2.188 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000092419133 180381914 /nfs/dbraw/zinc/38/19/14/180381914.db2.gz ULMGWOJFLLYQGF-MRXNPFEDSA-N 2 0 276.428 2.430 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H]2CCCC[C@H]2[NH2+]C)n1 ZINC000109496223 186256890 /nfs/dbraw/zinc/25/68/90/186256890.db2.gz CYCTUQQOGHSABC-QWHCGFSZSA-N 2 0 280.416 2.200 10 0 CEAERP CC[NH2+][C@H]1c2ccc(OCC[NH+](CC)CC)cc2NC1=O ZINC000109576252 186263987 /nfs/dbraw/zinc/26/39/87/186263987.db2.gz UZKCMZOLSGMRRU-HNNXBMFYSA-N 2 0 291.395 2.010 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@@H+]1[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000109685174 186268970 /nfs/dbraw/zinc/26/89/70/186268970.db2.gz ZSIYNJVHMMKYCT-GBJTYRQASA-N 2 0 282.428 2.168 10 0 CEAERP Cc1cc(C)c(C[NH+]2CCN(C(C)(C)C[NH3+])CC2)c(C)c1 ZINC000109463729 186253735 /nfs/dbraw/zinc/25/37/35/186253735.db2.gz WGHGHJYCUUURRE-UHFFFAOYSA-N 2 0 289.467 2.467 10 0 CEAERP C(C[C@@H]1CCC[NH2+]C1)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371289 186294663 /nfs/dbraw/zinc/29/46/63/186294663.db2.gz AQJLOTMRBDPUEP-DLBZAZTESA-N 2 0 279.472 2.326 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1cccc(Cl)c1C[NH3+] ZINC000110459597 186296873 /nfs/dbraw/zinc/29/68/73/186296873.db2.gz IOFFOPVWDWDOGK-NSHDSACASA-N 2 0 267.804 2.187 10 0 CEAERP CSc1ccc(OCC[NH2+]CCC[NH+](C)C)cc1 ZINC000110986165 186339074 /nfs/dbraw/zinc/33/90/74/186339074.db2.gz JPYNDPAOQRLEPI-UHFFFAOYSA-N 2 0 268.426 2.329 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705205 186315039 /nfs/dbraw/zinc/31/50/39/186315039.db2.gz YQDXANILDQAXLV-IUODEOHRSA-N 2 0 279.403 2.240 10 0 CEAERP COc1ccc([C@@H](C)[NH3+])cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716951 186315418 /nfs/dbraw/zinc/31/54/18/186315418.db2.gz AEVBDDHLAKYACG-CYBMUJFWSA-N 2 0 291.439 2.241 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110717341 186315452 /nfs/dbraw/zinc/31/54/52/186315452.db2.gz JCRKTGOWYGNBMN-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)CC[C@@](C)(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711974 186316243 /nfs/dbraw/zinc/31/62/43/186316243.db2.gz WQQLLVVPASEGCT-HNNXBMFYSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC[N@@H+]1C ZINC000110710276 186316758 /nfs/dbraw/zinc/31/67/58/186316758.db2.gz KKBVZETZPRBUNP-XIRDDKMYSA-N 2 0 275.440 2.143 10 0 CEAERP CC[C@@H]1CN([C@@H](CC(N)=[NH2+])c2ccccc2)CC[N@@H+]1C ZINC000110722305 186318239 /nfs/dbraw/zinc/31/82/39/186318239.db2.gz VDBLWUKSICUDKZ-CABCVRRESA-N 2 0 274.412 2.080 10 0 CEAERP CC[C@H]1CN(CC[NH2+]CCCC(C)C)CC[N@@H+]1C ZINC000110757485 186321743 /nfs/dbraw/zinc/32/17/43/186321743.db2.gz QRHYMDIBKAURDH-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149724 186361016 /nfs/dbraw/zinc/36/10/16/186361016.db2.gz BGKMUELGZFYOJC-GFCCVEGCSA-N 2 0 278.400 2.122 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149708 186361125 /nfs/dbraw/zinc/36/11/25/186361125.db2.gz AWMCTWNBTSNFKT-CYBMUJFWSA-N 2 0 292.427 2.382 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000111132400 186355912 /nfs/dbraw/zinc/35/59/12/186355912.db2.gz WEIUPKXGQAOUID-CYBMUJFWSA-N 2 0 290.238 2.487 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1OC)N(C)CCC[NH+](C)C ZINC000111131701 186355963 /nfs/dbraw/zinc/35/59/63/186355963.db2.gz WEROPPJDPFLLKE-DOTOQJQBSA-N 2 0 293.455 2.357 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131488 186356802 /nfs/dbraw/zinc/35/68/02/186356802.db2.gz LTXIZZAVXRLXKA-SWLSCSKDSA-N 2 0 267.392 2.098 10 0 CEAERP Cc1cc(C)c([C@@H]([NH3+])CN(C)CC[NH+](C)C)c(C)c1 ZINC000111134368 186356919 /nfs/dbraw/zinc/35/69/19/186356919.db2.gz JHGAKFZPCDFJBL-HNNXBMFYSA-N 2 0 263.429 2.105 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)CCC[NH+](C)C)c(C)c1 ZINC000111136273 186357341 /nfs/dbraw/zinc/35/73/41/186357341.db2.gz SXTGIYSHYXUFED-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccccc1OCC ZINC000111134782 186357792 /nfs/dbraw/zinc/35/77/92/186357792.db2.gz HOYLRSFCDRBXBH-INIZCTEOSA-N 2 0 293.455 2.229 10 0 CEAERP C[NH2+][C@@H](c1ccc(OC)cc1)[C@H](C)N(C)CCC[NH+](C)C ZINC000111136768 186357968 /nfs/dbraw/zinc/35/79/68/186357968.db2.gz SMRGOODIILGJTA-WMLDXEAASA-N 2 0 293.455 2.228 10 0 CEAERP CC(C)[NH2+]C[C@@H](c1ccccc1)N(C)CC[NH+](C)C ZINC000111149516 186358520 /nfs/dbraw/zinc/35/85/20/186358520.db2.gz HFKLDXXAAOFSCZ-INIZCTEOSA-N 2 0 263.429 2.219 10 0 CEAERP CC[NH2+]Cc1cc(CN(C)CCC[NH+](C)C)oc1C ZINC000111150400 186359834 /nfs/dbraw/zinc/35/98/34/186359834.db2.gz XGGBTAGFCKJQFM-UHFFFAOYSA-N 2 0 267.417 2.081 10 0 CEAERP CCC[N@H+](C[C@@]1(C[NH2+]CC)CCCOC1)C1CC1 ZINC000111324926 186398576 /nfs/dbraw/zinc/39/85/76/186398576.db2.gz DPKMHYWGDLUEBJ-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[N@H+](C[C@@]1(C[NH2+]C2CC2)CCCOC1)C1CC1 ZINC000111324936 186398746 /nfs/dbraw/zinc/39/87/46/186398746.db2.gz XDCFJVVQHFCSFA-INIZCTEOSA-N 2 0 266.429 2.410 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cccc(C)c2)C[C@@H]1C ZINC000111237341 186373213 /nfs/dbraw/zinc/37/32/13/186373213.db2.gz RCOZYUWGMZRFDU-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP CCCN(CC[NH+](C)C)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000111506650 186425288 /nfs/dbraw/zinc/42/52/88/186425288.db2.gz KHAORQHWIGJIEB-CQSZACIVSA-N 2 0 263.429 2.354 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[NH+]2CCCCC2)CCCOC1 ZINC000111890762 186464158 /nfs/dbraw/zinc/46/41/58/186464158.db2.gz KGOQFPLKHNTIIO-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCCCC1 ZINC000261850307 540154382 /nfs/dbraw/zinc/15/43/82/540154382.db2.gz VSBLHJNJJGKLJJ-HUUCEWRRSA-N 2 0 295.471 2.132 10 0 CEAERP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)CC(C)(C)C1 ZINC000226744919 291083410 /nfs/dbraw/zinc/08/34/10/291083410.db2.gz VAWCJRWVFROVEY-UONOGXRCSA-N 2 0 256.434 2.369 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(I)c1 ZINC000575438945 366288030 /nfs/dbraw/zinc/28/80/30/366288030.db2.gz NKLDEDYKGZHAOI-SNVBAGLBSA-N 2 0 290.148 2.030 10 0 CEAERP Cc1cc(Br)cc([C@@H]([NH3+])CC[NH3+])c1F ZINC000575440420 366288851 /nfs/dbraw/zinc/28/88/51/366288851.db2.gz UJOYQIMYWWTAQZ-VIFPVBQESA-N 2 0 261.138 2.245 10 0 CEAERP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000310954702 540450448 /nfs/dbraw/zinc/45/04/48/540450448.db2.gz ZNDNDPOSKDRLSN-KGLIPLIRSA-N 2 0 256.434 2.105 10 0 CEAERP Cc1ccccc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151313526 366638864 /nfs/dbraw/zinc/63/88/64/366638864.db2.gz VHCVHXAGSKMRCS-HZPDHXFCSA-N 2 0 276.424 2.492 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000177133447 189031504 /nfs/dbraw/zinc/03/15/04/189031504.db2.gz LNVQPTFSTBCBFP-CABCVRRESA-N 2 0 291.439 2.167 10 0 CEAERP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400442675 299321952 /nfs/dbraw/zinc/32/19/52/299321952.db2.gz MUONQSVPAZMOTE-QXSJWSMHSA-N 2 0 267.461 2.085 10 0 CEAERP C[C@@H]1CCC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000245542429 370836273 /nfs/dbraw/zinc/83/62/73/370836273.db2.gz PPSOUSSCKCTEKH-BZUAXINKSA-N 2 0 268.445 2.249 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000251524598 299369267 /nfs/dbraw/zinc/36/92/67/299369267.db2.gz LPNNKQUCAIDMIL-WCFLWFBJSA-N 2 0 288.395 2.024 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1CCCCC1 ZINC000175054902 368093699 /nfs/dbraw/zinc/09/36/99/368093699.db2.gz RVVBDSTYCHGDGB-HZPDHXFCSA-N 2 0 265.445 2.031 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000246341882 370947603 /nfs/dbraw/zinc/94/76/03/370947603.db2.gz LNVQPTFSTBCBFP-HUUCEWRRSA-N 2 0 291.439 2.167 10 0 CEAERP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000190483491 369627705 /nfs/dbraw/zinc/62/77/05/369627705.db2.gz OLSGFZKTRGEGGA-KRWDZBQOSA-N 2 0 296.418 2.431 10 0 CEAERP C[NH+](C)CCC[NH+]1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254077 370221234 /nfs/dbraw/zinc/22/12/34/370221234.db2.gz ATYMCAUVEHAAGE-UHFFFAOYSA-N 3 0 289.467 2.222 10 0 CEAERP Brc1ccc(CCN[C@H]2CC[NH2+]C2)s1 ZINC000226375804 370338272 /nfs/dbraw/zinc/33/82/72/370338272.db2.gz QWPSMQBNHTWXKH-QMMMGPOBSA-N 2 0 275.215 2.005 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccccc1F)[C@@H]1CCC[NH2+]CC1 ZINC000231670190 370487131 /nfs/dbraw/zinc/48/71/31/370487131.db2.gz IXWOIHFAIPYBNF-CYBMUJFWSA-N 2 0 293.386 2.228 10 0 CEAERP CCCCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000248650255 371230300 /nfs/dbraw/zinc/23/03/00/371230300.db2.gz LXDMCDGOSQYJHO-IAGOWNOFSA-N 2 0 298.471 2.114 10 0 CEAERP CN1CC[C@@H](C[NH3+])[C@H]1c1ccc(Br)s1 ZINC000250647364 371388932 /nfs/dbraw/zinc/38/89/32/371388932.db2.gz VRTDNNMRSZEZRJ-XVKPBYJWSA-N 2 0 275.215 2.462 10 0 CEAERP C[C@@H]1CC[C@@H]([NH3+])[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252175162 371433144 /nfs/dbraw/zinc/43/31/44/371433144.db2.gz RWGGHNZHOXOURZ-NXHRZFHOSA-N 2 0 287.451 2.320 10 0 CEAERP CC(C)(C)OC(=O)NC1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000253573577 371530571 /nfs/dbraw/zinc/53/05/71/371530571.db2.gz ROTKDDFFHGFDPE-UHFFFAOYSA-N 2 0 297.443 2.245 10 0 CEAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261590909 371667265 /nfs/dbraw/zinc/66/72/65/371667265.db2.gz LSJRUEXVVVLBGM-NWANDNLSSA-N 2 0 260.381 2.173 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3ccccc3OC(F)F)C[C@H]12 ZINC000261743653 371717513 /nfs/dbraw/zinc/71/75/13/371717513.db2.gz MGNQVTSCIAADGG-KGYLQXTDSA-N 2 0 282.334 2.457 10 0 CEAERP c1csc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261882701 371760769 /nfs/dbraw/zinc/76/07/69/371760769.db2.gz FNLIPDBSCRCKDT-ZNMIVQPWSA-N 2 0 280.437 2.037 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000414809487 375995548 /nfs/dbraw/zinc/99/55/48/375995548.db2.gz UGVKMRSMNJKVQZ-JQWIXIFHSA-N 2 0 284.201 2.061 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH2+]CC1C(C)(C)C1(C)C ZINC000092820032 184629282 /nfs/dbraw/zinc/62/92/82/184629282.db2.gz PASDDCNJHHDNSA-STQMWFEESA-N 2 0 268.445 2.273 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N(C)[C@@H](C)Cc2cccs2)CC1 ZINC000093267381 184659581 /nfs/dbraw/zinc/65/95/81/184659581.db2.gz UGTOMXDJFBZUOB-AWEZNQCLSA-N 2 0 295.496 2.424 10 0 CEAERP C[NH2+][C@@H]1CCC[C@@H]1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000093552916 184690219 /nfs/dbraw/zinc/69/02/19/184690219.db2.gz GWHQVQSZZPYSPE-HZPDHXFCSA-N 3 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[NH+]1CCC(CC)CC1 ZINC000093592453 184693489 /nfs/dbraw/zinc/69/34/89/184693489.db2.gz FBGUUDYKZORMIO-WBVHZDCISA-N 2 0 295.471 2.132 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094459675 184804232 /nfs/dbraw/zinc/80/42/32/184804232.db2.gz KNYIANHCDLDORX-BPQIPLTHSA-N 2 0 285.435 2.042 10 0 CEAERP CC[N@@H+](Cc1ccc(O)c(OC)c1)CC1CC[NH2+]CC1 ZINC000094011342 184750309 /nfs/dbraw/zinc/75/03/09/184750309.db2.gz BOMXCHHTAQURHB-UHFFFAOYSA-N 2 0 278.396 2.222 10 0 CEAERP CC(C)[N@H+](CC[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000094025998 184751882 /nfs/dbraw/zinc/75/18/82/184751882.db2.gz XTSXDVWVFUPTKX-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+][C@H]1[C@@H](CN(C)CC[NH+]2CCCC2)CCCC1(C)C ZINC000094288461 184775585 /nfs/dbraw/zinc/77/55/85/184775585.db2.gz MQRXLUKKXAMVGX-CVEARBPZSA-N 2 0 281.488 2.428 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCN(C)CCC[NH+](C)C)cc1F ZINC000094840991 184877728 /nfs/dbraw/zinc/87/77/28/184877728.db2.gz SHANYNYYLTWORN-MRXNPFEDSA-N 2 0 281.419 2.408 10 0 CEAERP C[C@H]([NH3+])c1ccnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000094999725 184912664 /nfs/dbraw/zinc/91/26/64/184912664.db2.gz KGCFYRQBZBRMKY-DZGCQCFKSA-N 2 0 274.412 2.166 10 0 CEAERP CC[C@@H](C[NH3+])C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000087535249 135050718 /nfs/dbraw/zinc/05/07/18/135050718.db2.gz UXQBEAMEPGEXCK-ZDUSSCGKSA-N 2 0 281.831 2.447 10 0 CEAERP C[C@H]([NH3+])c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393430 135068369 /nfs/dbraw/zinc/06/83/69/135068369.db2.gz BDSZXBYGUQENAK-AAEUAGOBSA-N 2 0 265.376 2.376 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091432343 135069939 /nfs/dbraw/zinc/06/99/39/135069939.db2.gz UFCMCKQMCMFONV-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000091539830 135071519 /nfs/dbraw/zinc/07/15/19/135071519.db2.gz SPXAQKBSWTWBAK-KGLIPLIRSA-N 2 0 277.387 2.075 10 0 CEAERP Cc1cccc(N2CC[NH+](CCC3([NH3+])CCC3)CC2)c1 ZINC000094295816 135085853 /nfs/dbraw/zinc/08/58/53/135085853.db2.gz ORJNNPYWHQFGRD-UHFFFAOYSA-N 2 0 273.424 2.389 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1 ZINC000094444590 135088536 /nfs/dbraw/zinc/08/85/36/135088536.db2.gz LTIYQZSKTVJUQE-WMLDXEAASA-N 2 0 273.424 2.251 10 0 CEAERP C[C@@H](COCc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422794985 394792621 /nfs/dbraw/zinc/79/26/21/394792621.db2.gz VCSMTMBOLVMILB-JTUUTPGSSA-N 2 0 274.408 2.464 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000575438761 400609643 /nfs/dbraw/zinc/60/96/43/400609643.db2.gz IPWFYMWVEIBNKF-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000651199295 401293802 /nfs/dbraw/zinc/29/38/02/401293802.db2.gz XDNJHLRICXBWKY-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CCOc1cc(C[NH3+])ccc1OCC[NH+](CC)CC ZINC000011993982 170465738 /nfs/dbraw/zinc/46/57/38/170465738.db2.gz PPYYVTUIKXGHFK-UHFFFAOYSA-N 2 0 266.385 2.265 10 0 CEAERP [NH3+]C[C@@H](O)C[NH+](C1CCCCC1)C1CCCCC1 ZINC000019387475 170779976 /nfs/dbraw/zinc/77/99/76/170779976.db2.gz SATJAGYQLJZEBD-OAHLLOKOSA-N 2 0 254.418 2.273 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000020260531 171117280 /nfs/dbraw/zinc/11/72/80/171117280.db2.gz LFZWFZJYTMTLHW-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022217919 171376203 /nfs/dbraw/zinc/37/62/03/171376203.db2.gz DTMXQBCIOHLASQ-CHWSQXEVSA-N 2 0 275.396 2.062 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC(C)(C)N(C)C)CC1 ZINC000037220633 173038759 /nfs/dbraw/zinc/03/87/59/173038759.db2.gz QQVKUJVNISWCRB-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038044633 174052954 /nfs/dbraw/zinc/05/29/54/174052954.db2.gz OANGKMILYDGUHB-KBPBESRZSA-N 2 0 254.418 2.123 10 0 CEAERP CC[NH+]1CCC([NH2+]Cc2ccccc2-n2cccn2)CC1 ZINC000040495421 174294404 /nfs/dbraw/zinc/29/44/04/174294404.db2.gz ZUTSJQDWSRLWMV-UHFFFAOYSA-N 2 0 284.407 2.446 10 0 CEAERP CCC[C@@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693797 174377667 /nfs/dbraw/zinc/37/76/67/174377667.db2.gz DABNRIDMIRXZLB-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP [NH3+]C[C@H](c1ccccn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693781 174377705 /nfs/dbraw/zinc/37/77/05/174377705.db2.gz VXWCBCPRFCBNOI-QGZVFWFLSA-N 2 0 288.439 2.032 10 0 CEAERP C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717010 174384168 /nfs/dbraw/zinc/38/41/68/174384168.db2.gz YSGSXQMYODZMRA-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP CC(C)C[N@H+](C[C@@H](O)COc1ccc(C[NH3+])cc1)C1CC1 ZINC000042554616 174792015 /nfs/dbraw/zinc/79/20/15/174792015.db2.gz LLWOPGXHFWIDHT-MRXNPFEDSA-N 2 0 292.423 2.005 10 0 CEAERP CCC[NH+]1CCN([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC1 ZINC000042970837 174933225 /nfs/dbraw/zinc/93/32/25/174933225.db2.gz YTPBSKOFPCEUEF-CZUORRHYSA-N 2 0 279.403 2.242 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043292793 174998510 /nfs/dbraw/zinc/99/85/10/174998510.db2.gz JFCNONCRAZHZET-UONOGXRCSA-N 2 0 255.450 2.164 10 0 CEAERP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000043324709 175006793 /nfs/dbraw/zinc/00/67/93/175006793.db2.gz DYPDXHAHHHWMMZ-KRWDZBQOSA-N 2 0 275.440 2.370 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043335718 175011017 /nfs/dbraw/zinc/01/10/17/175011017.db2.gz GSQYHIDJBBYEJA-UKRRQHHQSA-N 2 0 279.428 2.474 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2ccc(Cl)c(F)c2)CC1 ZINC000043390172 175033509 /nfs/dbraw/zinc/03/35/09/175033509.db2.gz TVMXWXJBNYVZJO-CQSZACIVSA-N 2 0 285.794 2.116 10 0 CEAERP CC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043805835 175108483 /nfs/dbraw/zinc/10/84/83/175108483.db2.gz GORDVTDDJPWEAC-DOTOQJQBSA-N 2 0 275.440 2.282 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897099 175119901 /nfs/dbraw/zinc/11/99/01/175119901.db2.gz BUPOFDHILCMXER-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897367 175120158 /nfs/dbraw/zinc/12/01/58/175120158.db2.gz AZHTVCHLTZDBCY-ROUUACIJSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@H]1CCC2(C[C@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903812 175122371 /nfs/dbraw/zinc/12/23/71/175122371.db2.gz HBSDFTPGKDHSLH-SOUVJXGZSA-N 2 0 282.428 2.135 10 0 CEAERP CC[NH2+][C@H](C)[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907894 175123290 /nfs/dbraw/zinc/12/32/90/175123290.db2.gz UQDVEKKBEWGLCA-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967722 175128849 /nfs/dbraw/zinc/12/88/49/175128849.db2.gz RLAJGIUHYTWIEL-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000043967917 175128974 /nfs/dbraw/zinc/12/89/74/175128974.db2.gz MYKGHMNXPIORHC-GOSISDBHSA-N 2 0 287.451 2.365 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967678 175129078 /nfs/dbraw/zinc/12/90/78/175129078.db2.gz ZEXPHABWMASMSN-CVEARBPZSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CCC(C[NH+](C)C)CC1 ZINC000043970715 175131735 /nfs/dbraw/zinc/13/17/35/175131735.db2.gz FYIPQFHUOHKVPL-HIFRSBDPSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970624 175131822 /nfs/dbraw/zinc/13/18/22/175131822.db2.gz JEDRHMWTXZKDNZ-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172718 175321887 /nfs/dbraw/zinc/32/18/87/175321887.db2.gz SCXVCEYCEQCVNA-LBPRGKRZSA-N 2 0 278.444 2.419 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000045172710 175321913 /nfs/dbraw/zinc/32/19/13/175321913.db2.gz HGZOMITVGZSAPL-LLVKDONJSA-N 2 0 264.417 2.029 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[N@H+](C)C1CCCCC1)C(N)=O ZINC000045379167 175368376 /nfs/dbraw/zinc/36/83/76/175368376.db2.gz XOMWARGQGMYNPD-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)CC(C)C ZINC000045380832 175370464 /nfs/dbraw/zinc/37/04/64/175370464.db2.gz BLEDUQVYGBKOBD-AWEZNQCLSA-N 2 0 258.406 2.025 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045383719 175370906 /nfs/dbraw/zinc/37/09/06/175370906.db2.gz WMTQOTDOEAQLFA-HNNXBMFYSA-N 2 0 271.449 2.129 10 0 CEAERP COC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C(C)C)CC1 ZINC000070513287 175961836 /nfs/dbraw/zinc/96/18/36/175961836.db2.gz RHWLMOOKWFHVTI-INIZCTEOSA-N 2 0 286.460 2.017 10 0 CEAERP CO[C@@H](C[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000665283813 415673816 /nfs/dbraw/zinc/67/38/16/415673816.db2.gz VOFGIGPLPDKERA-NRXISQOPSA-N 2 0 254.418 2.441 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)C2CC[NH+](C)CC2)C1 ZINC000071122738 176034913 /nfs/dbraw/zinc/03/49/13/176034913.db2.gz MVOIRKVSRRQUSV-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000071124752 176034951 /nfs/dbraw/zinc/03/49/51/176034951.db2.gz FLYTVIGXTXNBTF-BBWFWOEESA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])([N@H+](CCOC)C2CC2)C1 ZINC000071123982 176035417 /nfs/dbraw/zinc/03/54/17/176035417.db2.gz HWJPUQGDPCVPBB-HIFRSBDPSA-N 2 0 254.418 2.395 10 0 CEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)CCc2ccc(O)cc2)C1 ZINC000071141942 176040124 /nfs/dbraw/zinc/04/01/24/176040124.db2.gz WDSFHQFVRIGGBC-DZGCQCFKSA-N 2 0 262.397 2.255 10 0 CEAERP C[C@H]1CCC[C@@H]([N@@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147425 176043252 /nfs/dbraw/zinc/04/32/52/176043252.db2.gz MALFUXHMXQYHQQ-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)C1CCC(C(C)(C)C)CC1 ZINC000071148756 176044780 /nfs/dbraw/zinc/04/47/80/176044780.db2.gz XZZPEBJXMBBRSS-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@H]1CCC[C@H]([N@H+](CCOC)CCC(N)=[NH2+])C1 ZINC000071149876 176045313 /nfs/dbraw/zinc/04/53/13/176045313.db2.gz KCLXJUHSDJZLQS-STQMWFEESA-N 2 0 255.406 2.230 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188077 176061942 /nfs/dbraw/zinc/06/19/42/176061942.db2.gz DRDSOOVJWFFGEJ-XJKCOSOUSA-N 2 0 279.403 2.098 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188912 176063407 /nfs/dbraw/zinc/06/34/07/176063407.db2.gz VEKYICADVUSPIG-JJXSEGSLSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@H]1CC(C)(C)C[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188585 176063922 /nfs/dbraw/zinc/06/39/22/176063922.db2.gz WNXOOXYZJWDQHR-ZMSDIMECSA-N 2 0 281.488 2.414 10 0 CEAERP COc1ccc([C@@H](O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190641 176068417 /nfs/dbraw/zinc/06/84/17/176068417.db2.gz PLAVFWITHWRGIC-VBQJREDUSA-N 2 0 292.423 2.001 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N(C)C[C@@H]2CC[N@H+](C)C2)nc1 ZINC000071191670 176072082 /nfs/dbraw/zinc/07/20/82/176072082.db2.gz PTJLJLTXPCYDPR-MRXNPFEDSA-N 2 0 290.455 2.215 10 0 CEAERP C[C@H](CNc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192183 176073047 /nfs/dbraw/zinc/07/30/47/176073047.db2.gz OASFJAVELCVBDM-HUUCEWRRSA-N 2 0 261.413 2.371 10 0 CEAERP CN(CC[NH2+]C1CCCCCC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071192277 176073578 /nfs/dbraw/zinc/07/35/78/176073578.db2.gz LAXJQYIYPUVUOT-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+][C@H]1CCCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198158 176077058 /nfs/dbraw/zinc/07/70/58/176077058.db2.gz XJBPBQUAZAFAGS-KRWDZBQOSA-N 2 0 275.440 2.192 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263516 176096510 /nfs/dbraw/zinc/09/65/10/176096510.db2.gz UITCOKRARRNWKD-UHFFFAOYSA-N 2 0 279.403 2.201 10 0 CEAERP CC(C)C[N@H+](CCN(C)C)Cc1ccc(F)cc1C[NH3+] ZINC000071263538 176096530 /nfs/dbraw/zinc/09/65/30/176096530.db2.gz GEMQOHBNMYIZMS-UHFFFAOYSA-N 2 0 281.419 2.304 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000071263601 176096566 /nfs/dbraw/zinc/09/65/66/176096566.db2.gz QNXWJLYYADFPIZ-UHFFFAOYSA-N 2 0 288.366 2.279 10 0 CEAERP C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267602 176100970 /nfs/dbraw/zinc/10/09/70/176100970.db2.gz BMSDHWXLKVCLAT-UHFFFAOYSA-N 2 0 286.354 2.179 10 0 CEAERP CCOC(=O)CCCCC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000071297826 176112471 /nfs/dbraw/zinc/11/24/71/176112471.db2.gz PMEDHKODPJJQTN-UONOGXRCSA-N 2 0 270.417 2.169 10 0 CEAERP CCN([C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000071312125 176118983 /nfs/dbraw/zinc/11/89/83/176118983.db2.gz BTHXMQFSFMIGIH-GOSISDBHSA-N 2 0 287.451 2.335 10 0 CEAERP CC(C)n1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000071374449 176140022 /nfs/dbraw/zinc/14/00/22/176140022.db2.gz CIBUIJJEYTVJMR-GFCCVEGCSA-N 2 0 297.472 2.284 10 0 CEAERP Cc1nc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)CC2)sc1C ZINC000072150558 176326269 /nfs/dbraw/zinc/32/62/69/176326269.db2.gz VLRCIJAKBMEGMI-HNNXBMFYSA-N 2 0 297.468 2.039 10 0 CEAERP Cc1cc(N2CC3CC2(C[NH3+])C3)c2ccccc2[nH+]1 ZINC000656611890 415787235 /nfs/dbraw/zinc/78/72/35/415787235.db2.gz NREPAKUNQVIFNJ-UHFFFAOYSA-N 2 0 253.349 2.471 10 0 CEAERP COC1CC[NH+](CCC[C@@H](CC[NH3+])C(C)C)CC1 ZINC000079279556 177463198 /nfs/dbraw/zinc/46/31/98/177463198.db2.gz ADLSOVIAUJDNEG-AWEZNQCLSA-N 2 0 256.434 2.498 10 0 CEAERP CC1(C)CC[C@H]([NH3+])[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000079625961 177528903 /nfs/dbraw/zinc/52/89/03/177528903.db2.gz RPFPHJHNKUIVPW-KKUMJFAQSA-N 2 0 265.445 2.063 10 0 CEAERP C[NH2+][C@H]1CCC(C)(C)C[C@H]1CN(C)CC[NH+]1CCCC1 ZINC000079672867 177534683 /nfs/dbraw/zinc/53/46/83/177534683.db2.gz CPMBKWRXPOFQAI-HOTGVXAUSA-N 2 0 281.488 2.428 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000667008573 419513051 /nfs/dbraw/zinc/51/30/51/419513051.db2.gz UDRRIEAOYMSWRK-KCQAQPDRSA-N 2 0 260.381 2.488 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211816412 260354872 /nfs/dbraw/zinc/35/48/72/260354872.db2.gz JYOLUBWUAHUSHS-GOSISDBHSA-N 2 0 287.451 2.248 10 0 CEAERP C[C@@H](C[NH2+]C1CCC([NH3+])CC1)N(C)Cc1ccccc1 ZINC000390557363 262217350 /nfs/dbraw/zinc/21/73/50/262217350.db2.gz IWYFNAAZGMCQTO-OOHWJJMZSA-N 3 0 275.440 2.366 10 0 CEAERP CN1c2ccccc2[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1=O ZINC000044516850 277026618 /nfs/dbraw/zinc/02/66/18/277026618.db2.gz PDTQMDDKGFYEGG-OAHLLOKOSA-N 2 0 287.407 2.026 10 0 CEAERP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151142280 277215685 /nfs/dbraw/zinc/21/56/85/277215685.db2.gz GTWIVWFVWIMDBV-HOTGVXAUSA-N 2 0 298.471 2.113 10 0 CEAERP C[C@@H]1CN(C2CC[NH+](C3CCCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000335210890 288134682 /nfs/dbraw/zinc/13/46/82/288134682.db2.gz XDDSJKVASDUMQO-RHSMWYFYSA-N 2 0 279.472 2.310 10 0 CEAERP CCC[C@H](C(=O)NCCC[NH+](C(C)C)C(C)C)[NH+](C)C ZINC000126753921 279841508 /nfs/dbraw/zinc/84/15/08/279841508.db2.gz NXKOFFXYLCGSTR-OAHLLOKOSA-N 2 0 285.476 2.342 10 0 CEAERP CCC[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH+](C)C ZINC000245506578 280245670 /nfs/dbraw/zinc/24/56/70/280245670.db2.gz HKTKXAQOZPEDQP-KLHDSHLOSA-N 2 0 297.487 2.199 10 0 CEAERP CCC[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[NH+](C)C ZINC000155037761 289162989 /nfs/dbraw/zinc/16/29/89/289162989.db2.gz UXCXVTCXTSCZBF-MRXNPFEDSA-N 2 0 297.487 2.489 10 0 CEAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000365707600 289309825 /nfs/dbraw/zinc/30/98/25/289309825.db2.gz HKQQCAVATUGUIE-ZQNQSHIBSA-N 2 0 266.429 2.262 10 0 CEAERP C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000568748947 313975581 /nfs/dbraw/zinc/97/55/81/313975581.db2.gz PRYZCIQFPRRLLS-BPUTZDHNSA-N 2 0 268.445 2.295 10 0 CEAERP C[C@H](CCOCc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000389957633 321892805 /nfs/dbraw/zinc/89/28/05/321892805.db2.gz XTAWFISKWCFGGY-CQSZACIVSA-N 2 0 262.397 2.323 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515160 519722484 /nfs/dbraw/zinc/72/24/84/519722484.db2.gz CLDLSLDEYBFEFI-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000054905574 519728286 /nfs/dbraw/zinc/72/82/86/519728286.db2.gz DULWJPLHPKNVJR-LBPRGKRZSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654679 519744329 /nfs/dbraw/zinc/74/43/29/519744329.db2.gz AAJFHRBKGGOVSI-CVEARBPZSA-N 2 0 269.477 2.283 10 0 CEAERP CCC[NH2+]C1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000049557855 519906415 /nfs/dbraw/zinc/90/64/15/519906415.db2.gz XMSYSVGEQKEVFE-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655469 520079807 /nfs/dbraw/zinc/07/98/07/520079807.db2.gz UURZXGAJYVZNEN-NWDGAFQWSA-N 2 0 282.457 2.344 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccccc1F ZINC000062740901 520306585 /nfs/dbraw/zinc/30/65/85/520306585.db2.gz DNMWJEMPKSAJGT-CYBMUJFWSA-N 2 0 254.349 2.011 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@H]([NH3+])c1ccc(C)cc1 ZINC000045687610 521656840 /nfs/dbraw/zinc/65/68/40/521656840.db2.gz ZDEFZLSEUMMAOE-INIZCTEOSA-N 2 0 263.429 2.268 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055072501 522125046 /nfs/dbraw/zinc/12/50/46/522125046.db2.gz YSQOFTTZKANLOX-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000055074117 522130111 /nfs/dbraw/zinc/13/01/11/522130111.db2.gz BFKQCUJEGPXBNM-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH2+]CCc1cc(F)cc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000400409605 533867343 /nfs/dbraw/zinc/86/73/43/533867343.db2.gz STJIYMIWMMTOAC-CMPLNLGQSA-N 2 0 254.324 2.095 10 0 CEAERP C1C[NH2+][C@@H]([C@@H]2CCC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590655 518580076 /nfs/dbraw/zinc/58/00/76/518580076.db2.gz KVAOPPYOWDZIGK-MGPQQGTHSA-N 2 0 254.443 2.346 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000048927098 518712708 /nfs/dbraw/zinc/71/27/08/518712708.db2.gz VBWPFKQAGMKYIE-OAHLLOKOSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)C[NH+]1CCN(C(=[NH2+])NC2CCCCC2)CC1 ZINC000055083360 519723259 /nfs/dbraw/zinc/72/32/59/519723259.db2.gz ARRAEEHGZKJVEO-UHFFFAOYSA-N 2 0 266.433 2.117 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)CCc2ccccn2)O1 ZINC000052423978 519723593 /nfs/dbraw/zinc/72/35/93/519723593.db2.gz AZTUILDTVROBRO-IRXDYDNUSA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[NH2+]C2CCCC2)CC1 ZINC000055075707 519725661 /nfs/dbraw/zinc/72/56/61/519725661.db2.gz FGJSJEVKULAOIF-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH+]1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000055077710 519726994 /nfs/dbraw/zinc/72/69/94/519726994.db2.gz DADAQOVPLGBHGC-UHFFFAOYSA-N 2 0 279.403 2.058 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccccc2F)[C@H](C)[NH3+])CC1 ZINC000055077400 519727660 /nfs/dbraw/zinc/72/76/60/519727660.db2.gz WIFHVSVJEVCZAG-WMLDXEAASA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1CN1CC[NH+](C2CC2)CC1 ZINC000052371420 519727747 /nfs/dbraw/zinc/72/77/47/519727747.db2.gz DUINUFCFQLDBDR-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccc(C[NH2+]C3CC3)cn2)CC1 ZINC000055082490 519728510 /nfs/dbraw/zinc/72/85/10/519728510.db2.gz AIPQNZVZGFBYND-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507667 519744823 /nfs/dbraw/zinc/74/48/23/519744823.db2.gz DJFNAIBBOZQNMP-ULQDDVLXSA-N 2 0 298.471 2.281 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943332 519775207 /nfs/dbraw/zinc/77/52/07/519775207.db2.gz WZEWCSBCJOAWQJ-CABCVRRESA-N 2 0 283.460 2.001 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000050910687 519842363 /nfs/dbraw/zinc/84/23/63/519842363.db2.gz ZAPTWTPLLQVZQD-UHFFFAOYSA-N 2 0 273.424 2.206 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2C)CC1 ZINC000050578223 519859649 /nfs/dbraw/zinc/85/96/49/519859649.db2.gz LNEADZNDOCFUGI-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP CCC[NH+]1CCN(c2ncc([C@@H](C)[NH2+]CC)s2)CC1 ZINC000054899193 519860859 /nfs/dbraw/zinc/86/08/59/519860859.db2.gz PUMOWNLMZGHBTJ-GFCCVEGCSA-N 2 0 282.457 2.346 10 0 CEAERP CCC[NH2+]CC1(C[N@H+](CC)C2CC2)CCOCC1 ZINC000052181254 519909742 /nfs/dbraw/zinc/90/97/42/519909742.db2.gz WUNOELKJYHYIJT-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000061711760 519910888 /nfs/dbraw/zinc/91/08/88/519910888.db2.gz NQMDKBDSFXGIED-CQSZACIVSA-N 2 0 254.418 2.003 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccncc1 ZINC000054628342 519911104 /nfs/dbraw/zinc/91/11/04/519911104.db2.gz UMYBHKNINLOQID-MQVJKMGUSA-N 2 0 259.397 2.229 10 0 CEAERP CCC[NH2+]CC1(CN2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000062969945 519911416 /nfs/dbraw/zinc/91/14/16/519911416.db2.gz WKGHNORKACSCQR-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[NH2+]CCCCC[N@H+](CCC)CCN(C)C ZINC000052544245 519912468 /nfs/dbraw/zinc/91/24/68/519912468.db2.gz XHFYKSIUNCNCMA-UHFFFAOYSA-N 2 0 257.466 2.430 10 0 CEAERP CCC[NH2+]CC[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074854 519919194 /nfs/dbraw/zinc/91/91/94/519919194.db2.gz TZRZAYRFJRNWDQ-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+]CCC[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074321 519919926 /nfs/dbraw/zinc/91/99/26/519919926.db2.gz UVTPABQZARKEDQ-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478883 519924253 /nfs/dbraw/zinc/92/42/53/519924253.db2.gz LECQDWQPDDPIQD-JKSUJKDBSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]C[C@H](C)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545308 519931060 /nfs/dbraw/zinc/93/10/60/519931060.db2.gz PODXPSUUXGPNCQ-KBPBESRZSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074814 519931220 /nfs/dbraw/zinc/93/12/20/519931220.db2.gz ORGUSVYNTSNMCA-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]C[C@]1(C[N@H+](CC)CC2CC2)CCOC1 ZINC000069239878 519940894 /nfs/dbraw/zinc/94/08/94/519940894.db2.gz FMLXGHGIBCSKAG-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000052372535 519949047 /nfs/dbraw/zinc/94/90/47/519949047.db2.gz QNPPVVKUBPSURW-SFHVURJKSA-N 2 0 287.451 2.365 10 0 CEAERP CC[NH2+]C[C@@H]1CCCC[N@H+](C)[C@@H]1c1c(C)nn(C)c1C ZINC000070289955 519949348 /nfs/dbraw/zinc/94/93/48/519949348.db2.gz QIKOQXWXBCIZGG-HOCLYGCPSA-N 2 0 278.444 2.419 10 0 CEAERP CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(OC)c(OC)c2)C1 ZINC000053011639 519951936 /nfs/dbraw/zinc/95/19/36/519951936.db2.gz NCPBDUKKWACSQU-HNNXBMFYSA-N 2 0 292.423 2.178 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2)O1 ZINC000052417528 519952008 /nfs/dbraw/zinc/95/20/08/519952008.db2.gz XVANIWHLFFYMTB-HOTGVXAUSA-N 2 0 262.397 2.276 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061654317 519955127 /nfs/dbraw/zinc/95/51/27/519955127.db2.gz BKMPQXKOMXPGRF-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062971372 519959922 /nfs/dbraw/zinc/95/99/22/519959922.db2.gz SJVQBCNXGFPMGY-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643752 519992325 /nfs/dbraw/zinc/99/23/25/519992325.db2.gz GIMMUVWKKFRQKZ-ZNMIVQPWSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](CCOC)C1CC1 ZINC000052542540 520006481 /nfs/dbraw/zinc/00/64/81/520006481.db2.gz HWEZKGJRMJAKNW-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000052476742 520009421 /nfs/dbraw/zinc/00/94/21/520009421.db2.gz RAXIKXOUYQFQPJ-UONOGXRCSA-N 2 0 262.397 2.405 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079381 520069504 /nfs/dbraw/zinc/06/95/04/520069504.db2.gz UPPURYPUDNTFNC-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H](CCN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061653626 520088263 /nfs/dbraw/zinc/08/82/63/520088263.db2.gz UGJPWAMQXVWIIJ-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055086687 520632730 /nfs/dbraw/zinc/63/27/30/520632730.db2.gz YVRYFPYYNUXVIX-ZNMIVQPWSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[C@@H](C)[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078070 520668421 /nfs/dbraw/zinc/66/84/21/520668421.db2.gz PGUNHWJMSPAJNV-HUUCEWRRSA-N 2 0 255.450 2.024 10 0 CEAERP CC[NH+](CC)CCOC[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052672037 520694212 /nfs/dbraw/zinc/69/42/12/520694212.db2.gz CIZJAZMIWFTTIT-LSDHHAIUSA-N 2 0 286.460 2.281 10 0 CEAERP CCC[C@@H](CN1CC[NH+](CC(C)C)CC1)[NH2+]CC ZINC000055078654 520704690 /nfs/dbraw/zinc/70/46/90/520704690.db2.gz BYFBJTKHEJXATG-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@H](C)[NH2+]CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062974250 521060147 /nfs/dbraw/zinc/06/01/47/521060147.db2.gz GVOGAILYYNMJFT-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](CCOC)Cc1c2ccccc2oc1C[NH3+] ZINC000052542686 521134817 /nfs/dbraw/zinc/13/48/17/521134817.db2.gz CNIKHGPIXPGPJG-UHFFFAOYSA-N 2 0 262.353 2.360 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN(C)CC[NH+]1CCCC1 ZINC000063053508 521267307 /nfs/dbraw/zinc/26/73/07/521267307.db2.gz GFXXXDMQUFBPOD-OAHLLOKOSA-N 2 0 255.450 2.040 10 0 CEAERP CC[NH+]1CCC(N(C)CCC[NH2+]CC(C)C)CC1 ZINC000052543984 521561383 /nfs/dbraw/zinc/56/13/83/521561383.db2.gz SHHGTGBRJYVGQW-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197546 521650453 /nfs/dbraw/zinc/65/04/53/521650453.db2.gz STCJJRUJZANUKC-PMPSAXMXSA-N 2 0 269.477 2.283 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000052483989 521655953 /nfs/dbraw/zinc/65/59/53/521655953.db2.gz PPBPSCIJRUXNER-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP CCC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C(C)C ZINC000052450416 521674609 /nfs/dbraw/zinc/67/46/09/521674609.db2.gz LSRZTGORQSCOFW-UHFFFAOYSA-N 2 0 281.448 2.287 10 0 CEAERP CCc1ccccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000052200627 521838694 /nfs/dbraw/zinc/83/86/94/521838694.db2.gz SROFNIDPRGLLJB-UHFFFAOYSA-N 2 0 289.467 2.365 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1ccc(Cl)cc1C[NH3+] ZINC000061641577 521842911 /nfs/dbraw/zinc/84/29/11/521842911.db2.gz YZDYCSIOCYUQIC-ZDUSSCGKSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000052417328 521999904 /nfs/dbraw/zinc/99/99/04/521999904.db2.gz JGOVVFVPJZDKGZ-HNNXBMFYSA-N 2 0 261.413 2.197 10 0 CEAERP C[NH+](C)[C@@H]1CCN([C@@H](C[NH3+])c2cccc3ccccc32)C1 ZINC000062964742 522054382 /nfs/dbraw/zinc/05/43/82/522054382.db2.gz UYSDBGARCBVRFR-QAPCUYQASA-N 2 0 283.419 2.476 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@H]2CCSC2)c(C)o1 ZINC000052453617 522104145 /nfs/dbraw/zinc/10/41/45/522104145.db2.gz KGXFNGMIYGBZFR-LBPRGKRZSA-N 2 0 254.399 2.245 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)on1 ZINC000052546716 522105052 /nfs/dbraw/zinc/10/50/52/522105052.db2.gz VQNVFQFBYUSYMQ-SMDDNHRTSA-N 2 0 251.374 2.405 10 0 CEAERP C[NH+](C)[C@H]1CCN(c2cccc(C[NH2+]C(C)(C)C)n2)C1 ZINC000062971189 522105231 /nfs/dbraw/zinc/10/52/31/522105231.db2.gz OBRDCFOOKSUUAC-AWEZNQCLSA-N 2 0 276.428 2.110 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055075405 522121931 /nfs/dbraw/zinc/12/19/31/522121931.db2.gz GKPITRNJPZIQMX-MRXNPFEDSA-N 2 0 275.440 2.192 10 0 CEAERP C[NH2+]Cc1cccc(CN2CC[NH+](CC(C)C)CC2)c1 ZINC000055082723 522128758 /nfs/dbraw/zinc/12/87/58/522128758.db2.gz SOIKGCFBPGDWEV-UHFFFAOYSA-N 2 0 275.440 2.180 10 0 CEAERP C[NH2+][C@@H](CC[N@@H+]1CCC[C@@H]1CCCO)C(C)(C)C ZINC000054046677 522343344 /nfs/dbraw/zinc/34/33/44/522343344.db2.gz PLNVKUIHVORBNQ-KGLIPLIRSA-N 2 0 256.434 2.248 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1C[N@H+](CCO)C1CCCC1 ZINC000053875303 522377182 /nfs/dbraw/zinc/37/71/82/522377182.db2.gz VUBSBSQHHWOEDL-GDBMZVCRSA-N 2 0 268.445 2.392 10 0 CEAERP C[N@H+](CCN1CCC[NH2+]CC1)Cc1ccc(Cl)cc1 ZINC000061275216 522831453 /nfs/dbraw/zinc/83/14/53/522831453.db2.gz LXRVPKLRGGEUGE-UHFFFAOYSA-N 2 0 281.831 2.067 10 0 CEAERP COCC[N@H+](CC(C)C)C[C@H](C)C[NH2+]CC(C)C ZINC000052508469 523678997 /nfs/dbraw/zinc/67/89/97/523678997.db2.gz YJSGLIVAKOIYOR-OAHLLOKOSA-N 2 0 258.450 2.473 10 0 CEAERP COCC[N@H+](CCCCC[NH2+]CC(C)C)[C@H](C)COC ZINC000052572422 523693262 /nfs/dbraw/zinc/69/32/62/523693262.db2.gz HDFHNVVPBKLYHT-MRXNPFEDSA-N 2 0 288.476 2.386 10 0 CEAERP COCC[NH+](CCOC)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052571475 523718640 /nfs/dbraw/zinc/71/86/40/523718640.db2.gz RRDMQQVFWLEVPS-UHFFFAOYSA-N 2 0 294.439 2.279 10 0 CEAERP C[NH+]1CCC(CNC2=[NH+]C3(CCCC3)CS2)CC1 ZINC000053066889 523764431 /nfs/dbraw/zinc/76/44/31/523764431.db2.gz UMCGTWCMPRACJJ-UHFFFAOYSA-N 2 0 267.442 2.333 10 0 CEAERP C[NH+]1CCN([C@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052379611 523921004 /nfs/dbraw/zinc/92/10/04/523921004.db2.gz WHRVZXYVEFSFMB-MRXNPFEDSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccc(C(N)=[NH2+])cc2F)CC1 ZINC000055067181 523961051 /nfs/dbraw/zinc/96/10/51/523961051.db2.gz FKLFYUNSRRZDEW-NSHDSACASA-N 2 0 278.375 2.030 10 0 CEAERP C[NH+](C)CC1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625006 524049678 /nfs/dbraw/zinc/04/96/78/524049678.db2.gz VGNGKTQDZHZESO-GOSISDBHSA-N 2 0 289.467 2.220 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507534 524143257 /nfs/dbraw/zinc/14/32/57/524143257.db2.gz NNZVULFRCJAPAN-HIFRSBDPSA-N 2 0 254.418 2.408 10 0 CEAERP Cc1cccc(C[N@@H+](C)Cc2cccnc2C[NH3+])c1 ZINC000061656665 524375469 /nfs/dbraw/zinc/37/54/69/524375469.db2.gz ILTIWOWTIZWERC-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP C[C@@H](C[NH2+]C1CC1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417110 524734655 /nfs/dbraw/zinc/73/46/55/524734655.db2.gz GTZQBVHMGQRTSS-INIZCTEOSA-N 2 0 287.451 2.192 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000052420726 525210303 /nfs/dbraw/zinc/21/03/03/525210303.db2.gz FWHIHCRUKOCVCS-ZIAGYGMSSA-N 2 0 293.459 2.144 10 0 CEAERP Cc1ccccc1[C@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642229 525423694 /nfs/dbraw/zinc/42/36/94/525423694.db2.gz BPZVRSRIWQKQPY-ZBFHGGJFSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)ccc1F ZINC000050545839 525481681 /nfs/dbraw/zinc/48/16/81/525481681.db2.gz NOMLZDJYDOTDCB-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@H]2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000069267451 526508995 /nfs/dbraw/zinc/50/89/95/526508995.db2.gz NZXBAYQMYDUYCT-FUHWJXTLSA-N 2 0 285.435 2.391 10 0 CEAERP Cc1nc(N(C)C2CC[NH+](C)CC2)sc1[C@H](C)[NH3+] ZINC000054864012 526949874 /nfs/dbraw/zinc/94/98/74/526949874.db2.gz NQUDOVWVLAZOES-VIFPVBQESA-N 2 0 268.430 2.002 10 0 CEAERP CC(C)[C@@H]1[NH2+][C@@]2(CCC[N@H+](C)CC2)OCC1(C)C ZINC000757142704 574510331 /nfs/dbraw/zinc/51/03/31/574510331.db2.gz DGASPWYKVFWDAY-ZFWWWQNUSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757146016 574510399 /nfs/dbraw/zinc/51/03/99/574510399.db2.gz JEJLZRPPPFKNCS-CYBMUJFWSA-N 2 0 254.418 2.469 10 0 CEAERP CO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000308378482 623644289 /nfs/dbraw/zinc/64/42/89/623644289.db2.gz UZFQSJVYXMFYBN-QWHCGFSZSA-N 2 0 254.418 2.121 10 0 CEAERP Cn1cc([C@H]2CCC[N@@H+]2CCCCCC[NH3+])cn1 ZINC000311107979 627367169 /nfs/dbraw/zinc/36/71/69/627367169.db2.gz RCNPMJBINNXSMO-CQSZACIVSA-N 2 0 250.390 2.076 10 0 CEAERP c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c2c(c1)C[NH2+]CC2 ZINC000123948656 539179731 /nfs/dbraw/zinc/17/97/31/539179731.db2.gz YAFJVZSSYLXNBE-ROUUACIJSA-N 2 0 286.419 2.476 10 0 CEAERP CCC[NH+]1CCN(c2ccccc2[C@H](C)[NH2+]C)CC1 ZINC000034663805 534936286 /nfs/dbraw/zinc/93/62/86/534936286.db2.gz PVFQQXYDPXULJW-AWEZNQCLSA-N 2 0 261.413 2.499 10 0 CEAERP C[NH2+][C@@H]1CCN(c2cc[nH+]c(NCC3CCCC3)c2)C1 ZINC000114700424 344280957 /nfs/dbraw/zinc/28/09/57/344280957.db2.gz ASNFGXUCTAGINL-CQSZACIVSA-N 2 0 274.412 2.482 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000054307359 362525304 /nfs/dbraw/zinc/52/53/04/362525304.db2.gz UNBAELQMMAUMNY-AWEZNQCLSA-N 2 0 275.396 2.076 10 0 CEAERP C[N@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054308279 362526272 /nfs/dbraw/zinc/52/62/72/362526272.db2.gz QXPOEHLDLIOVRI-HNNXBMFYSA-N 2 0 295.471 2.147 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC2([NH3+])CCCC2)CC1 ZINC000084188843 178821887 /nfs/dbraw/zinc/82/18/87/178821887.db2.gz UAMKJMDEZBRUQG-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085611276 179103469 /nfs/dbraw/zinc/10/34/69/179103469.db2.gz YDMWZXSVLCCKIM-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@]1(C)C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085617110 179104540 /nfs/dbraw/zinc/10/45/40/179104540.db2.gz IMHXMZSMKMFICC-GFCCVEGCSA-N 2 0 282.350 2.419 10 0 CEAERP C[C@H]1CC[NH2+][C@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618879 179104649 /nfs/dbraw/zinc/10/46/49/179104649.db2.gz APFZFYCHXYRLII-JQHSSLGASA-N 2 0 288.435 2.461 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085637181 179109911 /nfs/dbraw/zinc/10/99/11/179109911.db2.gz HQSLJAOPYKXDQM-ILXRZTDVSA-N 2 0 266.429 2.121 10 0 CEAERP C[N@H+](CCCN[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153495 365830148 /nfs/dbraw/zinc/83/01/48/365830148.db2.gz XRUIJWWJIJXFSQ-OAHLLOKOSA-N 2 0 267.461 2.373 10 0 CEAERP CC[C@]1(C)CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146731 179240029 /nfs/dbraw/zinc/24/00/29/179240029.db2.gz WQANWYPQCWMFEV-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](CC)C2)[C@@H](CC)C[NH2+]1 ZINC000086171832 179242901 /nfs/dbraw/zinc/24/29/01/179242901.db2.gz FWMWFIMPVJNRRW-YVSFHVDLSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173734 179244681 /nfs/dbraw/zinc/24/46/81/179244681.db2.gz SNJHGDNDPGEULX-JYJNAYRXSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086173255 179244750 /nfs/dbraw/zinc/24/47/50/179244750.db2.gz IWZTZLYHSKLYTH-RRFJBIMHSA-N 2 0 255.450 2.035 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@H](C(C)C)NC[C@@H]2C)CC1 ZINC000086173693 179244850 /nfs/dbraw/zinc/24/48/50/179244850.db2.gz JVEAOPOKGVOLFJ-GOEBONIOSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1CN(CCCC[N@H+](C)C(C)C)[C@@H](C)C[NH2+]1 ZINC000086174326 179245917 /nfs/dbraw/zinc/24/59/17/179245917.db2.gz INZRINJNGBKPIA-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217848 179249474 /nfs/dbraw/zinc/24/94/74/179249474.db2.gz IAILPRMEEUTWHK-AWEZNQCLSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C1CC[NH+](C)CC1 ZINC000086217797 179249844 /nfs/dbraw/zinc/24/98/44/179249844.db2.gz GHVJUFGLJZFRSG-IRXDYDNUSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223103 179250409 /nfs/dbraw/zinc/25/04/09/179250409.db2.gz OKKXXQPCBDAVJH-QLFBSQMISA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223013 179250454 /nfs/dbraw/zinc/25/04/54/179250454.db2.gz AWFHLZPDJFJBRU-PMPSAXMXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223022 179250685 /nfs/dbraw/zinc/25/06/85/179250685.db2.gz BJRDWAXKBJZAIU-LSDHHAIUSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223014 179251159 /nfs/dbraw/zinc/25/11/59/179251159.db2.gz AWFHLZPDJFJBRU-BZUAXINKSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223120 179251873 /nfs/dbraw/zinc/25/18/73/179251873.db2.gz WYGSVBKYWMXQJS-BFYDXBDKSA-N 2 0 279.472 2.181 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223166 179252102 /nfs/dbraw/zinc/25/21/02/179252102.db2.gz CQBDGRSKPSVKBM-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCC(N2C[C@H](C3CC3)[NH2+]C[C@@H]2CC)CC1 ZINC000086227300 179254479 /nfs/dbraw/zinc/25/44/79/179254479.db2.gz BSFRKSSJVZUNPH-DOTOQJQBSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291438 179265431 /nfs/dbraw/zinc/26/54/31/179265431.db2.gz QSLSKMQMGJRCST-GDBMZVCRSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H]1CN[C@H](c2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261031 179260452 /nfs/dbraw/zinc/26/04/52/179260452.db2.gz HVXLCQWBUPARNM-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CCC[NH2+][C@H](C(C)(C)C)C2)C1 ZINC000086289428 179264978 /nfs/dbraw/zinc/26/49/78/179264978.db2.gz XVIAUSSJDHVKEP-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@H]1CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086255955 179257066 /nfs/dbraw/zinc/25/70/66/179257066.db2.gz RLRQRMIFBSWRHJ-JYJNAYRXSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293265 179266384 /nfs/dbraw/zinc/26/63/84/179266384.db2.gz IXAVOSWYHIJNAA-HUUCEWRRSA-N 3 0 255.450 2.038 10 0 CEAERP CCOC[C@H](C)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086292005 179266769 /nfs/dbraw/zinc/26/67/69/179266769.db2.gz XOXMKNRUIUHVQR-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP CN(CC[NH+]1CCCC1)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086444099 179293771 /nfs/dbraw/zinc/29/37/71/179293771.db2.gz HJVISDCNSQKFOC-LLVKDONJSA-N 2 0 280.441 2.011 10 0 CEAERP [NH3+][C@@H]1CCCc2sc(N3CC[NH+](CC4CC4)CC3)nc21 ZINC000086443939 179293872 /nfs/dbraw/zinc/29/38/72/179293872.db2.gz PFOKDZUZWUYMLU-GFCCVEGCSA-N 2 0 292.452 2.011 10 0 CEAERP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000086585497 179309938 /nfs/dbraw/zinc/30/99/38/179309938.db2.gz AHOHCJPLEOPUTR-LBPRGKRZSA-N 2 0 268.788 2.390 10 0 CEAERP CN(c1ccccc1F)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819528 179347972 /nfs/dbraw/zinc/34/79/72/179347972.db2.gz SLFWTBFOSQQGGH-OAHLLOKOSA-N 2 0 265.376 2.075 10 0 CEAERP CN(Cc1ccccc1F)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819351 179348535 /nfs/dbraw/zinc/34/85/35/179348535.db2.gz DMJQZJWPQOGLBW-INIZCTEOSA-N 2 0 279.403 2.071 10 0 CEAERP CC[N@@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835001 179349735 /nfs/dbraw/zinc/34/97/35/179349735.db2.gz VXHPERBFWBCDBC-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000086848171 179356597 /nfs/dbraw/zinc/35/65/97/179356597.db2.gz FBVWOHYYLMANJL-QGZVFWFLSA-N 2 0 291.439 2.447 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)Cn2ccnc2)CC1 ZINC000086840504 179352608 /nfs/dbraw/zinc/35/26/08/179352608.db2.gz WFWLECVRFUAXRL-LSDHHAIUSA-N 2 0 264.417 2.124 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843392 179353015 /nfs/dbraw/zinc/35/30/15/179353015.db2.gz POJTVUJHWOAPGE-HOTGVXAUSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843405 179353164 /nfs/dbraw/zinc/35/31/64/179353164.db2.gz FUXVNLKDPFAXSR-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842895 179353279 /nfs/dbraw/zinc/35/32/79/179353279.db2.gz TXARZUFEXHGWKK-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](CN(C)C)C(C)C)CC1 ZINC000086842886 179353601 /nfs/dbraw/zinc/35/36/01/179353601.db2.gz RSXBFVPUYUKWRK-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCCC2)CC1 ZINC000086846329 179354329 /nfs/dbraw/zinc/35/43/29/179354329.db2.gz HSHCUAPNERQYIZ-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCCC(=O)OCC)CC1 ZINC000086845747 179355637 /nfs/dbraw/zinc/35/56/37/179355637.db2.gz PJHKRZOVWRMSON-CQSZACIVSA-N 2 0 270.417 2.184 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848887 179358014 /nfs/dbraw/zinc/35/80/14/179358014.db2.gz IGHBEORIHQRFML-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000086891311 179366259 /nfs/dbraw/zinc/36/62/59/179366259.db2.gz OCXUTLUPSKDHCL-OAGGEKHMSA-N 2 0 267.461 2.310 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087049542 179388870 /nfs/dbraw/zinc/38/88/70/179388870.db2.gz XWCDJLUIYAISSX-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP CCOc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH3+])C1)CCC2 ZINC000067674051 362915847 /nfs/dbraw/zinc/91/58/47/362915847.db2.gz VJTKSHKDMKGJJJ-ZDUSSCGKSA-N 2 0 274.408 2.355 10 0 CEAERP C[C@@H]([NH3+])CCC[C@H](C)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000087697775 179472439 /nfs/dbraw/zinc/47/24/39/179472439.db2.gz JENRDIRLTHOSFG-LSDHHAIUSA-N 2 0 295.471 2.227 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])NCC[NH+](CC)CC ZINC000087912649 179520424 /nfs/dbraw/zinc/52/04/24/179520424.db2.gz QYOBSWCNKMUSET-INIZCTEOSA-N 2 0 263.429 2.180 10 0 CEAERP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400414590 233178276 /nfs/dbraw/zinc/17/82/76/233178276.db2.gz VADMUNJMIUQYEA-UOVPBQLFSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@H](NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400753361 233181246 /nfs/dbraw/zinc/18/12/46/233181246.db2.gz WGVJDUNCFSRJLO-JQHSSLGASA-N 2 0 287.451 2.239 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1C ZINC000090566294 180005620 /nfs/dbraw/zinc/00/56/20/180005620.db2.gz VLNSRHMWYOIWKJ-IAGOWNOFSA-N 2 0 276.424 2.441 10 0 CEAERP C[C@@]1(C[NH+]2CCC3(CCCCC3)CC2)COC[C@H]1[NH3+] ZINC000090620939 180014026 /nfs/dbraw/zinc/01/40/26/180014026.db2.gz RXWODWOQUZEYRB-HUUCEWRRSA-N 2 0 266.429 2.397 10 0 CEAERP C[N@H+](CCCOCC(F)(F)F)CCC1CC[NH2+]CC1 ZINC000090694041 180026248 /nfs/dbraw/zinc/02/62/48/180026248.db2.gz CKFCMIBUXLQISD-UHFFFAOYSA-N 2 0 282.350 2.277 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878936 180052847 /nfs/dbraw/zinc/05/28/47/180052847.db2.gz XFAGXBIRFXFDNF-BLLLJJGKSA-N 2 0 292.398 2.449 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893495 180054738 /nfs/dbraw/zinc/05/47/38/180054738.db2.gz YWUIXLVSZBVLQA-JMSVASOKSA-N 2 0 278.371 2.188 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]CC(C)(C)C[NH+](C)C)O2 ZINC000090897124 180057448 /nfs/dbraw/zinc/05/74/48/180057448.db2.gz JFITVVIHOOGUOX-OAHLLOKOSA-N 2 0 276.424 2.476 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897477 180057520 /nfs/dbraw/zinc/05/75/20/180057520.db2.gz RKUPLMGRVSBCJK-PBHICJAKSA-N 2 0 286.419 2.372 10 0 CEAERP CC[N@H+](C[C@H]1Cc2cc(C)ccc2O1)C1CC[NH2+]CC1 ZINC000090900040 180058961 /nfs/dbraw/zinc/05/89/61/180058961.db2.gz SBEHAPYMBZNSSL-MRXNPFEDSA-N 2 0 274.408 2.372 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[N@@H+](C)[C@@H]1CCC[C@@H]1C[NH3+])O2 ZINC000090900311 180059215 /nfs/dbraw/zinc/05/92/15/180059215.db2.gz MVPBEQNNYFORNQ-FVQBIDKESA-N 2 0 274.408 2.358 10 0 CEAERP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958813 180075461 /nfs/dbraw/zinc/07/54/61/180075461.db2.gz DMBPZBSTJMFWHH-WDEREUQCSA-N 2 0 253.415 2.265 10 0 CEAERP CC[NH+]1CCC(C[NH2+]Cc2sccc2N)CC1 ZINC000090960501 180075724 /nfs/dbraw/zinc/07/57/24/180075724.db2.gz OFVZQDFFBNCPAD-UHFFFAOYSA-N 2 0 253.415 2.152 10 0 CEAERP CCCn1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000091012212 180086458 /nfs/dbraw/zinc/08/64/58/180086458.db2.gz PIWCZEXZFOLLLO-HNNXBMFYSA-N 2 0 261.413 2.472 10 0 CEAERP C[NH2+]CCC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000091273063 180118169 /nfs/dbraw/zinc/11/81/69/180118169.db2.gz AWXUUVGTRBMBPS-UHFFFAOYSA-N 2 0 264.417 2.286 10 0 CEAERP C(C[C@@H]1CSCC[NH2+]1)[NH2+]CC(C1CC1)C1CC1 ZINC000091292370 180123395 /nfs/dbraw/zinc/12/33/95/180123395.db2.gz NLXJEHCEIBAGJA-CYBMUJFWSA-N 2 0 254.443 2.107 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2nc(C3CC3)c(C[NH3+])s2)C1 ZINC000091429165 180152836 /nfs/dbraw/zinc/15/28/36/180152836.db2.gz DTLNHGJHCSUKFE-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC[C@H]([NH+](C)C)C1 ZINC000091428526 180153207 /nfs/dbraw/zinc/15/32/07/180153207.db2.gz LIUZOVNGKHBLRT-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC[NH2+]C2CCCCCC2)C1 ZINC000091432668 180153789 /nfs/dbraw/zinc/15/37/89/180153789.db2.gz JBYPMFKKQDCYRT-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091449867 180158311 /nfs/dbraw/zinc/15/83/11/180158311.db2.gz IXCCBEKEFBHXIK-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP CC[NH2+]C[C@](C)(C[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091490347 180170289 /nfs/dbraw/zinc/17/02/89/180170289.db2.gz VZGGMGWFGJHFNK-VMWRSERWSA-N 2 0 290.451 2.257 10 0 CEAERP CC(C)C[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091502885 180175226 /nfs/dbraw/zinc/17/52/26/180175226.db2.gz FRZQLRHBESJHID-DLBZAZTESA-N 2 0 276.424 2.260 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499465 180173937 /nfs/dbraw/zinc/17/39/37/180173937.db2.gz HYNOZFBERFDQPV-GRAKBVBRSA-N 2 0 268.445 2.248 10 0 CEAERP CC[NH2+][C@H](CC[N@H+](C)CC1CC(O)C1)C(C)(C)C ZINC000091499037 180173943 /nfs/dbraw/zinc/17/39/43/180173943.db2.gz DLZVCQAXIPOVAN-JXQTWKCFSA-N 2 0 256.434 2.103 10 0 CEAERP CCC[NH2+][C@H](C)C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393405 180145309 /nfs/dbraw/zinc/14/53/09/180145309.db2.gz KXVYMGXHBPOKNB-ILXRZTDVSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393714 180145601 /nfs/dbraw/zinc/14/56/01/180145601.db2.gz IEFBYBIYTPJYLN-HUUCEWRRSA-N 2 0 297.487 2.330 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393327 180145654 /nfs/dbraw/zinc/14/56/54/180145654.db2.gz FPBDSVQBBUEALT-GJZGRUSLSA-N 2 0 255.450 2.310 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091393023 180145781 /nfs/dbraw/zinc/14/57/81/180145781.db2.gz BWWJAGBMWNBHJE-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091395744 180146677 /nfs/dbraw/zinc/14/66/77/180146677.db2.gz ICKPHMFSEBGAMR-IRXDYDNUSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+]C1(CCN2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC000091395344 180146693 /nfs/dbraw/zinc/14/66/93/180146693.db2.gz JZNRPBUBFJJFKZ-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091405552 180146881 /nfs/dbraw/zinc/14/68/81/180146881.db2.gz CDADFBCNMYBZDF-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@@H+]1CCCC[C@@H]1CCO ZINC000091402633 180147215 /nfs/dbraw/zinc/14/72/15/180147215.db2.gz VSVRGEWYQPGCMX-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](CCCOC)CCOC ZINC000091403769 180147458 /nfs/dbraw/zinc/14/74/58/180147458.db2.gz TUJYYDOAEGZVTO-HNNXBMFYSA-N 2 0 288.476 2.386 10 0 CEAERP CCC[NH2+]CCCCC[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000091430279 180152720 /nfs/dbraw/zinc/15/27/20/180152720.db2.gz QQICMDCCCOYOJU-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)([C@@H]([NH3+])CC1CCOCC1)[NH+]1CCCCC1 ZINC000091564492 180193734 /nfs/dbraw/zinc/19/37/34/180193734.db2.gz DERSDXQLBLSEEZ-AWEZNQCLSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@](C)([C@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091606083 180203875 /nfs/dbraw/zinc/20/38/75/180203875.db2.gz SLVGHALVQZDSSZ-HOCLYGCPSA-N 2 0 276.428 2.059 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544345 180185532 /nfs/dbraw/zinc/18/55/32/180185532.db2.gz AOPYWDIOTZBBIW-CABCVRRESA-N 3 0 265.445 2.064 10 0 CEAERP CCC(CC)([C@H](Cc1cccnc1N)[NH2+]C)[NH+]1CCCC1 ZINC000091635137 180210780 /nfs/dbraw/zinc/21/07/80/180210780.db2.gz PKPHVKPSEDCMIQ-HNNXBMFYSA-N 2 0 290.455 2.449 10 0 CEAERP CCc1cc(C[C@H](CC[NH+](CC)CC)[NH2+]C)n(CC)n1 ZINC000091716191 180232631 /nfs/dbraw/zinc/23/26/31/180232631.db2.gz DKOQHXNCQUOZLD-HNNXBMFYSA-N 2 0 280.460 2.328 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1cnn(C)c1 ZINC000091716799 180232640 /nfs/dbraw/zinc/23/26/40/180232640.db2.gz PMMOKKUSCUSPEN-OAHLLOKOSA-N 2 0 266.433 2.063 10 0 CEAERP CCC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C1CCC([NH3+])CC1 ZINC000091852457 180272919 /nfs/dbraw/zinc/27/29/19/180272919.db2.gz ZTTVMFNVLZKBEQ-QQFBHYJXSA-N 2 0 295.471 2.227 10 0 CEAERP CC[N@H+](C[C@@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850740 180272033 /nfs/dbraw/zinc/27/20/33/180272033.db2.gz QKTSMQWDVSKLCT-OFLPRAFFSA-N 2 0 276.424 2.486 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCN(C)CC1 ZINC000091849842 180272106 /nfs/dbraw/zinc/27/21/06/180272106.db2.gz UBMGGQKDSCGHPA-SHARSMKWSA-N 2 0 253.434 2.063 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCN(CC)CC)CC1 ZINC000091870253 180277295 /nfs/dbraw/zinc/27/72/95/180277295.db2.gz INNPVYPHTVIJAJ-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC1CCC(C[NH3+])([C@]2(O)CC[N@@H+](C3CC3)C2)CC1 ZINC000091907331 180283750 /nfs/dbraw/zinc/28/37/50/180283750.db2.gz XITGXKTXSRSJGI-BCLQGDPASA-N 2 0 266.429 2.131 10 0 CEAERP CCC[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003844 180304870 /nfs/dbraw/zinc/30/48/70/180304870.db2.gz KNTRVHYFLLUEFR-CVEARBPZSA-N 2 0 291.439 2.448 10 0 CEAERP CC(C)CCC[NH2+]CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092004506 180304903 /nfs/dbraw/zinc/30/49/03/180304903.db2.gz OHBRBPNDFYNAFZ-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092082161 180319368 /nfs/dbraw/zinc/31/93/68/180319368.db2.gz YMJCCWNNVNZKDL-XQQFMLRXSA-N 2 0 275.396 2.060 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C(N)=[NH2+] ZINC000092085692 180320618 /nfs/dbraw/zinc/32/06/18/180320618.db2.gz IDFXQGIENBWYBY-PHIMTYICSA-N 2 0 261.369 2.067 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298035 180358620 /nfs/dbraw/zinc/35/86/20/180358620.db2.gz PCVQHDXONHKQLE-GXTWGEPZSA-N 2 0 260.381 2.222 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC000092417223 180381088 /nfs/dbraw/zinc/38/10/88/180381088.db2.gz OBBTWWZFZNPGGX-SNVBAGLBSA-N 2 0 253.777 2.294 10 0 CEAERP Nc1cc[nH+]c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000092418299 180381477 /nfs/dbraw/zinc/38/14/77/180381477.db2.gz CTIMLBOMVQOWDU-UHFFFAOYSA-N 2 0 274.412 2.114 10 0 CEAERP Nc1cc[nH+]c(C[NH+]2CCc3ccccc3CC2)c1 ZINC000092419344 180382043 /nfs/dbraw/zinc/38/20/43/180382043.db2.gz TYMPZNVCVLKBNZ-UHFFFAOYSA-N 2 0 253.349 2.265 10 0 CEAERP CCC[NH2+][C@@H](CCC)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092626885 180419443 /nfs/dbraw/zinc/41/94/43/180419443.db2.gz ZKTUZCAJXRKKQS-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496113 186256870 /nfs/dbraw/zinc/25/68/70/186256870.db2.gz JTGJTWHBOLHNRQ-NSHDSACASA-N 2 0 254.378 2.015 10 0 CEAERP CC[NH2+][C@H]1C(=O)Nc2cc(-n3ccnc3CC)ccc21 ZINC000109573056 186264156 /nfs/dbraw/zinc/26/41/56/186264156.db2.gz FOPPEBPTUOSGJW-CQSZACIVSA-N 2 0 270.336 2.037 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@@H]([NH+](CC)CC)C2)nc1C ZINC000110275498 186289653 /nfs/dbraw/zinc/28/96/53/186289653.db2.gz ORGLHEYAEOXQTQ-CYBMUJFWSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC2([NH3+])CCCCC2)C1 ZINC000110370688 186294354 /nfs/dbraw/zinc/29/43/54/186294354.db2.gz GOFULFWIKMMWNQ-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[NH+](CCNC(=O)CC1CCC(C[NH3+])CC1)C(C)C ZINC000110617245 186304808 /nfs/dbraw/zinc/30/48/08/186304808.db2.gz XZSZRCYNOAUXIO-UHFFFAOYSA-N 2 0 297.487 2.377 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2C1CC[NH+](C)CC1 ZINC000110629575 186307417 /nfs/dbraw/zinc/30/74/17/186307417.db2.gz KERIWGUMSTZOFL-UHFFFAOYSA-N 2 0 278.331 2.033 10 0 CEAERP CC[N@@H+]1CC[C@H](Cn2c(N)[nH+]c3cc(F)c(OC)cc32)C1 ZINC000110629656 186307457 /nfs/dbraw/zinc/30/74/57/186307457.db2.gz SYDFNHBPXXBVCX-JTQLQIEISA-N 2 0 292.358 2.108 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCC[N@H+](C)C1 ZINC000110629939 186307774 /nfs/dbraw/zinc/30/77/74/186307774.db2.gz UCPFKJSVXOABTO-JTQLQIEISA-N 2 0 292.358 2.108 10 0 CEAERP CCn1cc([C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cn1 ZINC000110645687 186308829 /nfs/dbraw/zinc/30/88/29/186308829.db2.gz LSDHHTFNEHSMFD-VXGBXAGGSA-N 2 0 250.390 2.023 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110645666 186308896 /nfs/dbraw/zinc/30/88/96/186308896.db2.gz NIEIIUUVBVBRJP-GXFFZTMASA-N 2 0 264.417 2.157 10 0 CEAERP C[N@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC1CCCC1 ZINC000110837396 186327968 /nfs/dbraw/zinc/32/79/68/186327968.db2.gz MWBGMHFNJZZUDV-UHFFFAOYSA-N 2 0 275.396 2.471 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110921491 186332006 /nfs/dbraw/zinc/33/20/06/186332006.db2.gz KGTBVDMAMLBIPQ-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CCCN(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000110940347 186334472 /nfs/dbraw/zinc/33/44/72/186334472.db2.gz GQHBRDDPUWFKRH-XUWVNRHRSA-N 2 0 295.471 2.238 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000110977909 186339166 /nfs/dbraw/zinc/33/91/66/186339166.db2.gz KZZOIVDYJWLLHG-WBVHZDCISA-N 2 0 291.414 2.304 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccsc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705155 186314208 /nfs/dbraw/zinc/31/42/08/186314208.db2.gz XLUBEWODOHONKA-DGCLKSJQSA-N 2 0 267.442 2.162 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716410 186315457 /nfs/dbraw/zinc/31/54/57/186315457.db2.gz ITWLNTWQYGAOBM-GOEBONIOSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000110711670 186315769 /nfs/dbraw/zinc/31/57/69/186315769.db2.gz UNIOWTUPNOEMDN-HNNXBMFYSA-N 2 0 279.403 2.160 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716425 186315836 /nfs/dbraw/zinc/31/58/36/186315836.db2.gz PYIZHRHZGNQCAF-CZUORRHYSA-N 2 0 291.439 2.110 10 0 CEAERP CCc1ccc([C@H]([NH3+])CN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716290 186316329 /nfs/dbraw/zinc/31/63/29/186316329.db2.gz GGCWHQGWYLQAQR-MRXNPFEDSA-N 2 0 275.440 2.275 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711448 186316437 /nfs/dbraw/zinc/31/64/37/186316437.db2.gz VZJAKANWMPFZMD-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CC(C)[NH2+]CC1(CN2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC000110744904 186319464 /nfs/dbraw/zinc/31/94/64/186319464.db2.gz CODNIOBZSRDGFG-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H](CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110746901 186319858 /nfs/dbraw/zinc/31/98/58/186319858.db2.gz WUGOFPTUODGZEB-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH2+]CC(C)C)C(C)C)CC[N@@H+]1C ZINC000110754193 186320285 /nfs/dbraw/zinc/32/02/85/186320285.db2.gz XWFCLIUTWVBDEH-CVEARBPZSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CC[N@H+](C)[C@@H](CC)C2)c1 ZINC000110753983 186320560 /nfs/dbraw/zinc/32/05/60/186320560.db2.gz DDIOZKSMPCZLME-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H]1CN(c2ncc(C[NH2+]CC(C)C)s2)CC[N@@H+]1C ZINC000110758640 186320707 /nfs/dbraw/zinc/32/07/07/186320707.db2.gz YICAQHLLRAKOJV-ZDUSSCGKSA-N 2 0 296.484 2.419 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111039845 186346468 /nfs/dbraw/zinc/34/64/68/186346468.db2.gz MQEASUUVKXAFKC-AWEZNQCLSA-N 2 0 285.382 2.238 10 0 CEAERP COCC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000337042950 365997187 /nfs/dbraw/zinc/99/71/87/365997187.db2.gz COLKMNMBBJJHBG-IMJJTQAJSA-N 2 0 262.397 2.086 10 0 CEAERP C[NH2+][C@@H]1CC(C)(C)Cc2nc(N(C)CC[NH+](C)C)sc21 ZINC000111151324 186360957 /nfs/dbraw/zinc/36/09/57/186360957.db2.gz OSAMLBHAGUONLK-LLVKDONJSA-N 2 0 296.484 2.374 10 0 CEAERP CCOCC[N@H+](CC)[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+] ZINC000111117114 186355435 /nfs/dbraw/zinc/35/54/35/186355435.db2.gz PKNNAVNGAZLVAZ-RRFJBIMHSA-N 2 0 256.434 2.498 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)CCC[NH+](C)C ZINC000111130799 186355806 /nfs/dbraw/zinc/35/58/06/186355806.db2.gz XLSBQJCAIZQCEH-HZPDHXFCSA-N 2 0 281.419 2.488 10 0 CEAERP CCc1ccc([C@@H]([NH2+]C)[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134444 186357336 /nfs/dbraw/zinc/35/73/36/186357336.db2.gz XPRMBVKBTXSFHI-YOEHRIQHSA-N 2 0 277.456 2.391 10 0 CEAERP CCCOc1ccc([C@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134574 186357880 /nfs/dbraw/zinc/35/78/80/186357880.db2.gz PKAFXHHTDOLMCX-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP Cc1ccc(C)c([C@H]([NH3+])CN(C)CCC[NH+](C)C)c1 ZINC000111136251 186357993 /nfs/dbraw/zinc/35/79/93/186357993.db2.gz WUZDZLYQTHZUDO-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111148232 186358551 /nfs/dbraw/zinc/35/85/51/186358551.db2.gz LBGXHPFTVWCDQM-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CN(CC[NH+](C)C)CC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000111147316 186359057 /nfs/dbraw/zinc/35/90/57/186359057.db2.gz PLFYZYWZYJQMPP-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000111149022 186359561 /nfs/dbraw/zinc/35/95/61/186359561.db2.gz WBULPAZTDRKXCL-UHFFFAOYSA-N 2 0 284.835 2.231 10 0 CEAERP CN(CC[C@@H]([NH3+])c1ccccc1Cl)CC[NH+](C)C ZINC000111147402 186359649 /nfs/dbraw/zinc/35/96/49/186359649.db2.gz UVJZRMIFXRNFBD-CQSZACIVSA-N 2 0 269.820 2.223 10 0 CEAERP CCOC1CC[NH+](C[C@@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111326107 186398676 /nfs/dbraw/zinc/39/86/76/186398676.db2.gz XYGWORYEEQLBHI-KRWDZBQOSA-N 2 0 296.455 2.036 10 0 CEAERP [NH3+]C[C@@]1(C[N@@H+]2CC[C@@H](c3ccccc3)C2)CCCOC1 ZINC000111325933 186398792 /nfs/dbraw/zinc/39/87/92/186398792.db2.gz AOCXIENKRSHOAY-IAGOWNOFSA-N 2 0 274.408 2.231 10 0 CEAERP CC[N@H+](C[C@@]1(C[NH2+]C(C)C)CCCOC1)C1CC1 ZINC000111324699 186398905 /nfs/dbraw/zinc/39/89/05/186398905.db2.gz CHPZXZLNFZBAJP-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP CN(CCC[NH+](C)C)c1nc2ccccc2cc1CC[NH3+] ZINC000111481779 186422587 /nfs/dbraw/zinc/42/25/87/186422587.db2.gz NKKHMPVVVKJIRN-UHFFFAOYSA-N 2 0 286.423 2.124 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000111710027 186448489 /nfs/dbraw/zinc/44/84/89/186448489.db2.gz FAFVXSYXEQLWMA-BPUTZDHNSA-N 2 0 268.445 2.390 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093452708 539848719 /nfs/dbraw/zinc/84/87/19/539848719.db2.gz JXLGATKKFURHDF-YJNKXOJESA-N 2 0 252.402 2.066 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccccc1I ZINC000575439793 366288093 /nfs/dbraw/zinc/28/80/93/366288093.db2.gz XKCBKVKYPWEBGJ-SNVBAGLBSA-N 2 0 290.148 2.030 10 0 CEAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000177245187 299302867 /nfs/dbraw/zinc/30/28/67/299302867.db2.gz RKNWJLZFHIFFMT-GOEBONIOSA-N 2 0 268.445 2.392 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000236966161 370667774 /nfs/dbraw/zinc/66/77/74/370667774.db2.gz QJAPKRGHKWMCMC-MRXNPFEDSA-N 2 0 291.439 2.272 10 0 CEAERP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000171691248 367594232 /nfs/dbraw/zinc/59/42/32/367594232.db2.gz VZNPWDBMPYRTAX-ISANGGDFSA-N 2 0 286.510 2.417 10 0 CEAERP COCc1ccccc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572612609 299384540 /nfs/dbraw/zinc/38/45/40/299384540.db2.gz LVLJIDWQQFXXDJ-KGLIPLIRSA-N 2 0 262.397 2.311 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000180838118 368398941 /nfs/dbraw/zinc/39/89/41/368398941.db2.gz CQXZCCDIHOITSN-HUUCEWRRSA-N 2 0 284.407 2.393 10 0 CEAERP C[C@@H]([NH2+]CCCN1CCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400464962 296123921 /nfs/dbraw/zinc/12/39/21/296123921.db2.gz VTTNQHBUBYBLRX-ZBFHGGJFSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@](C)(O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348331096 369008007 /nfs/dbraw/zinc/00/80/07/369008007.db2.gz ZKRQDYUVAICEAQ-KURKYZTESA-N 2 0 288.435 2.211 10 0 CEAERP COc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000231670881 189814382 /nfs/dbraw/zinc/81/43/82/189814382.db2.gz GKOCPINOMZKJQS-CQSZACIVSA-N 2 0 278.396 2.148 10 0 CEAERP C[C@@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799385 371416601 /nfs/dbraw/zinc/41/66/01/371416601.db2.gz NVUZAYKSGKAUQA-CRAIPNDOSA-N 2 0 287.451 2.320 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792264 371734485 /nfs/dbraw/zinc/73/44/85/371734485.db2.gz GHECCHOIYBJQQP-SIXLDLHFSA-N 2 0 280.456 2.248 10 0 CEAERP c1ccc(C[N@@H+]2C[C@H]3CN(C[C@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944841 371779144 /nfs/dbraw/zinc/77/91/44/371779144.db2.gz NDXRIDRRZUQXEH-GBESFXJTSA-N 3 0 299.462 2.050 10 0 CEAERP CC[N@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000261988624 371789840 /nfs/dbraw/zinc/78/98/40/371789840.db2.gz SCLJGRCZPWFGAU-INIZCTEOSA-N 2 0 290.407 2.437 10 0 CEAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262536221 371874139 /nfs/dbraw/zinc/87/41/39/371874139.db2.gz BEMJIPQAHJSVCG-ARFHVFGLSA-N 2 0 289.423 2.053 10 0 CEAERP COC(=O)C1CCC([NH2+][C@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000262711633 371899485 /nfs/dbraw/zinc/89/94/85/371899485.db2.gz PVPKDPDIJVPWNE-URGYJCLVSA-N 2 0 282.428 2.037 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400514774 375372161 /nfs/dbraw/zinc/37/21/61/375372161.db2.gz MSNGGJAWHOBMSO-VYDXJSESSA-N 2 0 275.440 2.095 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)Cc1ccccc1 ZINC000562960088 377037391 /nfs/dbraw/zinc/03/73/91/377037391.db2.gz AZJDRUXVZCRCJU-SOLBZPMBSA-N 2 0 289.467 2.485 10 0 CEAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098048 376991429 /nfs/dbraw/zinc/99/14/29/376991429.db2.gz JUMWREJQLZLYJX-XLWJZTARSA-N 2 0 254.418 2.310 10 0 CEAERP C[C@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000423105582 376998584 /nfs/dbraw/zinc/99/85/84/376998584.db2.gz QVWCMCMQVCKGBP-UEDRELPZSA-N 2 0 252.402 2.063 10 0 CEAERP C[C@@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000564825539 377466891 /nfs/dbraw/zinc/46/68/91/377466891.db2.gz OQVWLLBBINBHIF-NXEZZACHSA-N 2 0 270.364 2.260 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCc3ccccc3CC2)O1 ZINC000079575710 184594338 /nfs/dbraw/zinc/59/43/38/184594338.db2.gz FFTWRRKFMDMQGD-QZTJIDSGSA-N 2 0 288.435 2.244 10 0 CEAERP CC[NH2+][C@](C)(CO)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000085239175 184607079 /nfs/dbraw/zinc/60/70/79/184607079.db2.gz JCMJJFNLPFWAIG-KKUMJFAQSA-N 2 0 256.434 2.390 10 0 CEAERP CC(C)[NH2+]C[C@H](C)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000093071317 184646214 /nfs/dbraw/zinc/64/62/14/184646214.db2.gz BMDOHOIYRVNDTI-KKUMJFAQSA-N 2 0 255.450 2.035 10 0 CEAERP CC1(C)CC(NC(=O)C2CCC(C[NH3+])CC2)CC(C)(C)[NH2+]1 ZINC000093425543 184674191 /nfs/dbraw/zinc/67/41/91/184674191.db2.gz PIRRKGFSXHWWLZ-UHFFFAOYSA-N 2 0 295.471 2.177 10 0 CEAERP C[NH2+][C@@H]1CCC[C@@H]1CC[NH+]1CCN(C(C)(C)C)CC1 ZINC000093552521 184690509 /nfs/dbraw/zinc/69/05/09/184690509.db2.gz XWQUYXNIQSMZLW-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCCCC1 ZINC000093598597 184694503 /nfs/dbraw/zinc/69/45/03/184694503.db2.gz CGQZSMDSBNVJRO-CVEARBPZSA-N 2 0 268.445 2.393 10 0 CEAERP [NH3+][C@]1(CO)CCC[C@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618289 184696584 /nfs/dbraw/zinc/69/65/84/184696584.db2.gz QRXMSDPITCDQNU-AAEUAGOBSA-N 2 0 294.361 2.141 10 0 CEAERP CCC1CC[NH+](CC[C@H]2CCC[C@]2(CO)[NH2+]C)CC1 ZINC000093617927 184696689 /nfs/dbraw/zinc/69/66/89/184696689.db2.gz GWMOKHGVDQPNGS-HZPDHXFCSA-N 2 0 268.445 2.249 10 0 CEAERP C[C@@H]1C[C@@H](C)CC(C[NH3+])(N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000094438893 184798891 /nfs/dbraw/zinc/79/88/91/184798891.db2.gz PREWQQJMGPMWPH-BZUAXINKSA-N 2 0 279.472 2.310 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@]1(C[NH3+])CC(C)(C)OC1(C)C ZINC000094425018 184795637 /nfs/dbraw/zinc/79/56/37/184795637.db2.gz AZXYKRLJPWEUDI-QGZVFWFLSA-N 2 0 299.503 2.181 10 0 CEAERP Cc1cccc([C@H]([NH3+])CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000094465934 184806114 /nfs/dbraw/zinc/80/61/14/184806114.db2.gz NLPSVIPSELCKRQ-IAGOWNOFSA-N 2 0 273.424 2.165 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cccc(C2CC2)c1 ZINC000094521030 184813491 /nfs/dbraw/zinc/81/34/91/184813491.db2.gz FQRMPTFKYPCJIV-QGZVFWFLSA-N 2 0 275.440 2.447 10 0 CEAERP CC[NH2+][C@@H](C)c1ccnc(N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000094999765 184912674 /nfs/dbraw/zinc/91/26/74/184912674.db2.gz LMIHQXOZZIUQGR-UONOGXRCSA-N 2 0 276.428 2.140 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2ccnc(Br)c2)CC1 ZINC000095072135 184933611 /nfs/dbraw/zinc/93/36/11/184933611.db2.gz ATWXOLWEEQIFJV-UHFFFAOYSA-N 2 0 284.201 2.204 10 0 CEAERP C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)[C@H]1CC[NH2+]C1 ZINC000400530518 533404582 /nfs/dbraw/zinc/40/45/82/533404582.db2.gz RNQISJDNSICKLT-OLZOCXBDSA-N 2 0 257.381 2.298 10 0 CEAERP C[C@@H]([NH3+])CCC[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000087704502 135050869 /nfs/dbraw/zinc/05/08/69/135050869.db2.gz YKBLCLYRJJVJIF-JKSUJKDBSA-N 2 0 290.455 2.357 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cc(C[NH3+])c3ccccc3n2)C1 ZINC000091394369 135069046 /nfs/dbraw/zinc/06/90/46/135069046.db2.gz PREHUSRNPDSNOV-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091430365 135069853 /nfs/dbraw/zinc/06/98/53/135069853.db2.gz SJPHKVVRQJBBNM-CVEARBPZSA-N 2 0 275.440 2.497 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cccc(Cl)c2CC[NH3+])C1 ZINC000091432698 135069891 /nfs/dbraw/zinc/06/98/91/135069891.db2.gz UPUUSTJBWPXXSY-LBPRGKRZSA-N 2 0 281.831 2.372 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)c(N2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000091431505 135070029 /nfs/dbraw/zinc/07/00/29/135070029.db2.gz FRARTKMNPBYGJM-YPMHNXCESA-N 2 0 297.393 2.385 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000094443291 135088737 /nfs/dbraw/zinc/08/87/37/135088737.db2.gz LEFXROYZHMAUCF-LSDHHAIUSA-N 2 0 288.439 2.220 10 0 CEAERP FC(F)(F)C[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000262043118 394612379 /nfs/dbraw/zinc/61/23/79/394612379.db2.gz YQEWIFZMLJTUCV-GHMZBOCLSA-N 2 0 250.308 2.260 10 0 CEAERP CC(C)[NH2+]CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381047268 395170710 /nfs/dbraw/zinc/17/07/10/395170710.db2.gz FZSJEQROZTYOSV-OAHLLOKOSA-N 2 0 291.439 2.011 10 0 CEAERP CCO[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1(C)C ZINC000261591836 286282635 /nfs/dbraw/zinc/28/26/35/286282635.db2.gz YBXXDUPTQHZHOU-MGPQQGTHSA-N 2 0 254.418 2.169 10 0 CEAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000191805009 153189674 /nfs/dbraw/zinc/18/96/74/153189674.db2.gz KNFSBKFLGCABRO-INIZCTEOSA-N 2 0 278.444 2.388 10 0 CEAERP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400429683 287026138 /nfs/dbraw/zinc/02/61/38/287026138.db2.gz ZRPJLWHHCIQWHD-ZIAGYGMSSA-N 2 0 254.418 2.313 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCCCCC1 ZINC000022153638 171360550 /nfs/dbraw/zinc/36/05/50/171360550.db2.gz MELDXPPRATWCFB-ZDUSSCGKSA-N 2 0 275.396 2.348 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CCc2ccccn2)CC1 ZINC000037209711 173031288 /nfs/dbraw/zinc/03/12/88/173031288.db2.gz ALTMDYIDOHYRII-AWEZNQCLSA-N 2 0 261.413 2.334 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000037490790 173232351 /nfs/dbraw/zinc/23/23/51/173232351.db2.gz QCJUWAJXACVIAO-ILXRZTDVSA-N 2 0 256.434 2.390 10 0 CEAERP C[C@@H]([NH3+])c1c(F)cccc1OCC[NH+]1CCCC1 ZINC000040240144 174212706 /nfs/dbraw/zinc/21/27/06/174212706.db2.gz HAOMACPSSIQTJL-LLVKDONJSA-N 2 0 252.333 2.320 10 0 CEAERP CCCCCC[C@H](C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508118 174302846 /nfs/dbraw/zinc/30/28/46/174302846.db2.gz HIWSJLGNRVOWGK-JKSUJKDBSA-N 2 0 295.471 2.242 10 0 CEAERP CC[C@@H](C)C[C@H](CC)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508123 174303140 /nfs/dbraw/zinc/30/31/40/174303140.db2.gz CNGGNLWSVBAXBO-OWCLPIDISA-N 2 0 295.471 2.097 10 0 CEAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCOc3ccccc32)C1 ZINC000040592210 174347722 /nfs/dbraw/zinc/34/77/22/174347722.db2.gz BGHMOHLPJNRJTH-DZGCQCFKSA-N 2 0 260.381 2.442 10 0 CEAERP CCOC1CC[NH+]([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000040678495 174374574 /nfs/dbraw/zinc/37/45/74/174374574.db2.gz JMXXDVZRDXMIGS-UKRRQHHQSA-N 2 0 254.418 2.395 10 0 CEAERP CCOC1CC[NH+]([C@@H]2C[C@H](CC)CC[C@@H]2[NH3+])CC1 ZINC000040689244 174376110 /nfs/dbraw/zinc/37/61/10/174376110.db2.gz ZPINGDXCXFGIJA-VHDGCEQUSA-N 2 0 254.418 2.393 10 0 CEAERP CC[C@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693873 174377948 /nfs/dbraw/zinc/37/79/48/174377948.db2.gz HUEVLHCICYJHDN-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000040735927 174389113 /nfs/dbraw/zinc/38/91/13/174389113.db2.gz DLIUAWNSRRAUNC-UKRRQHHQSA-N 2 0 262.397 2.255 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000040746564 174391403 /nfs/dbraw/zinc/39/14/03/174391403.db2.gz DSGXSYVWOWYNGU-MZBDJJRSSA-N 2 0 265.445 2.074 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(OC)cc1)N1CC[NH+](CC)CC1 ZINC000042960347 174925093 /nfs/dbraw/zinc/92/50/93/174925093.db2.gz JIESONGRVYWQLT-DLBZAZTESA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347515 175018001 /nfs/dbraw/zinc/01/80/01/175018001.db2.gz CGTXGVFQUKOJMJ-HOTGVXAUSA-N 2 0 290.455 2.276 10 0 CEAERP C[C@H]([NH3+])[C@@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000043377995 175030628 /nfs/dbraw/zinc/03/06/28/175030628.db2.gz BQAUKTHDZRALQW-WCQYABFASA-N 2 0 293.377 2.215 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1 ZINC000043394400 175034704 /nfs/dbraw/zinc/03/47/04/175034704.db2.gz KBWLWUINLMSSDD-GOSISDBHSA-N 2 0 287.451 2.331 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(OC)c(CN2CC[NH+](C)CC2)c1 ZINC000043810902 175110050 /nfs/dbraw/zinc/11/00/50/175110050.db2.gz GTBMZNAMPDQOCH-CQSZACIVSA-N 2 0 291.439 2.113 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815238 175111939 /nfs/dbraw/zinc/11/19/39/175111939.db2.gz SQHAXTGRBKDHMJ-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896872 175119029 /nfs/dbraw/zinc/11/90/29/175119029.db2.gz OMYFSVLEMPZRJL-RDJZCZTQSA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897053 175120120 /nfs/dbraw/zinc/12/01/20/175120120.db2.gz UUDREJYXVLVRRE-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]([NH2+]C)[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000043907721 175123226 /nfs/dbraw/zinc/12/32/26/175123226.db2.gz URYHVIFVCKNSGI-GDBMZVCRSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000043967658 175129364 /nfs/dbraw/zinc/12/93/64/175129364.db2.gz CSOIJVXNOJAYJK-SFHVURJKSA-N 2 0 287.451 2.426 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970608 175131699 /nfs/dbraw/zinc/13/16/99/175131699.db2.gz VTSKZMUCLUWTLR-ZWKOTPCHSA-N 2 0 287.451 2.145 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C1(C[NH3+])CCCCCC1 ZINC000044763731 175247849 /nfs/dbraw/zinc/24/78/49/175247849.db2.gz TVVVMYHYXOKCSG-OAHLLOKOSA-N 2 0 295.471 2.276 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC([NH+](C)C)CC1 ZINC000044802165 175255800 /nfs/dbraw/zinc/25/58/00/175255800.db2.gz NRQRIXBSXPGERW-UHFFFAOYSA-N 2 0 283.460 2.084 10 0 CEAERP CCC[NH2+][C@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)C[C@@H]1C ZINC000045135379 175312666 /nfs/dbraw/zinc/31/26/66/175312666.db2.gz QGPIGGJCLXBGMQ-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377474 175367147 /nfs/dbraw/zinc/36/71/47/175367147.db2.gz FKUYJOONJBZATD-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]CC)C(N)=O ZINC000045378536 175367475 /nfs/dbraw/zinc/36/74/75/175367475.db2.gz IUBIOUMHTZMBKZ-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C1CCCC1 ZINC000045384652 175372401 /nfs/dbraw/zinc/37/24/01/175372401.db2.gz UQBFWKCVRCMNGH-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CC[C@@]1(C)C[C@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360439 175888933 /nfs/dbraw/zinc/88/89/33/175888933.db2.gz JOHASLQBGQRFKL-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP COCc1csc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000665262883 415657210 /nfs/dbraw/zinc/65/72/10/415657210.db2.gz AXZPYFOYVSVBPL-UHFFFAOYSA-N 2 0 254.399 2.254 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071038067 176026886 /nfs/dbraw/zinc/02/68/86/176026886.db2.gz RSIXCTNSSINIES-GJZGRUSLSA-N 2 0 283.460 2.096 10 0 CEAERP CCCC(C[NH3+])(CCC)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071188581 176063466 /nfs/dbraw/zinc/06/34/66/176063466.db2.gz VHCIWPXAYWXDNR-AWEZNQCLSA-N 2 0 255.450 2.168 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191516 176069279 /nfs/dbraw/zinc/06/92/79/176069279.db2.gz HTBPSPQNHAPPDA-OAHLLOKOSA-N 2 0 269.477 2.142 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191307 176069901 /nfs/dbraw/zinc/06/99/01/176069901.db2.gz SGKOAYISVMIRBV-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[NH2+][C@@H]1CCCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199888 176077175 /nfs/dbraw/zinc/07/71/75/176077175.db2.gz YYBQSXCNMQRPCQ-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](CCCOC)CCOC ZINC000071289283 176110229 /nfs/dbraw/zinc/11/02/29/176110229.db2.gz BBBFNTYVRUDDKS-UHFFFAOYSA-N 2 0 274.449 2.141 10 0 CEAERP C[NH2+]CCCCCC[N@H+](CCN(C)C)CC(C)C ZINC000071288426 176110700 /nfs/dbraw/zinc/11/07/00/176110700.db2.gz HGHYYBWQXAVHCH-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP CC[NH+](CC)C[C@@H](C)NC1=[NH+]C[C@@H](C2CC2)S1 ZINC000071307867 176116142 /nfs/dbraw/zinc/11/61/42/176116142.db2.gz GNHXHTZWJCDVGC-PWSUYJOCSA-N 2 0 255.431 2.188 10 0 CEAERP CC[NH+]1CCC(CNC2=[NH+]C[C@@H](C3CC3)S2)CC1 ZINC000071307757 176116279 /nfs/dbraw/zinc/11/62/79/176116279.db2.gz PSZWVTAAPBVDHQ-ZDUSSCGKSA-N 2 0 267.442 2.189 10 0 CEAERP CC[C@@H]([NH3+])Cc1cc(C)ccc1OCC[NH+](C)C ZINC000071412363 176157784 /nfs/dbraw/zinc/15/77/84/176157784.db2.gz BGNKQHBFNQWKAU-CQSZACIVSA-N 2 0 250.386 2.215 10 0 CEAERP Cc1nocc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000662270683 415736143 /nfs/dbraw/zinc/73/61/43/415736143.db2.gz BXDKGEJCCNWPJK-ZBFHGGJFSA-N 2 0 271.364 2.157 10 0 CEAERP C[NH+](C)CC(C)(C)CNC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079288499 177464067 /nfs/dbraw/zinc/46/40/67/177464067.db2.gz XBHMCOKOKKUWSQ-AWEZNQCLSA-N 2 0 299.503 2.482 10 0 CEAERP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519283 260104393 /nfs/dbraw/zinc/10/43/93/260104393.db2.gz XMGASPKTPBLSAF-RDBSUJKOSA-N 2 0 299.459 2.362 10 0 CEAERP C[C@@H](C[NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390673769 262237798 /nfs/dbraw/zinc/23/77/98/262237798.db2.gz SUBQTSUEHGNNQT-MIGBEJBISA-N 2 0 287.451 2.366 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccccc1C ZINC000234803421 277259996 /nfs/dbraw/zinc/25/99/96/277259996.db2.gz AHNKLLHWJKOQEV-KBPBESRZSA-N 2 0 250.386 2.400 10 0 CEAERP CC(C)CCO[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178973868 277358274 /nfs/dbraw/zinc/35/82/74/277358274.db2.gz BUPHWKIHWPONRX-OAHLLOKOSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@@]1(C[NH2+][C@@H]2CCC(=O)Nc3ccccc32)CCC[NH2+]C1 ZINC000333296846 279162167 /nfs/dbraw/zinc/16/21/67/279162167.db2.gz PLBKORRCFHFEJT-RHSMWYFYSA-N 2 0 287.407 2.439 10 0 CEAERP COC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000226466323 280215292 /nfs/dbraw/zinc/21/52/92/280215292.db2.gz HIMNGGISYSQWQU-HNNXBMFYSA-N 2 0 276.380 2.047 10 0 CEAERP Cc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)c2ccccc2[nH+]1 ZINC000262562029 280574977 /nfs/dbraw/zinc/57/49/77/280574977.db2.gz VSLIPMMRLWAZHR-HNNXBMFYSA-N 2 0 296.418 2.027 10 0 CEAERP CCC[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC000154690310 289153052 /nfs/dbraw/zinc/15/30/52/289153052.db2.gz MYQFMVISGPXFCJ-AWEZNQCLSA-N 2 0 283.460 2.096 10 0 CEAERP [NH3+]C1CCC([NH2+][C@H]2CNCC[C@H]2c2ccc(F)cc2)CC1 ZINC000333160189 303362519 /nfs/dbraw/zinc/36/25/19/303362519.db2.gz NTJZXOIRUCCUOV-GQGLESIBSA-N 2 0 291.414 2.131 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)CCC(C)C)CCOCC1 ZINC000052197840 519911465 /nfs/dbraw/zinc/91/14/65/519911465.db2.gz UZLLYOKVIPMDQX-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)CC2CC2)CCOC1 ZINC000069239879 519928616 /nfs/dbraw/zinc/92/86/16/519928616.db2.gz FMLXGHGIBCSKAG-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@H](C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571601 519930827 /nfs/dbraw/zinc/93/08/27/519930827.db2.gz SOIRJWIRHVUYMO-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](C)C1CCOCC1 ZINC000052481177 519972510 /nfs/dbraw/zinc/97/25/10/519972510.db2.gz CPXSNTBVXXWTEV-UHFFFAOYSA-N 2 0 266.385 2.390 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000061268961 520167050 /nfs/dbraw/zinc/16/70/50/520167050.db2.gz WTFHPMZIGDPTBK-ZIAGYGMSSA-N 2 0 271.449 2.001 10 0 CEAERP CCCCC[C@@H](C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060842 520290804 /nfs/dbraw/zinc/29/08/04/520290804.db2.gz XRPMYSMKHOGICB-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000061642036 521874089 /nfs/dbraw/zinc/87/40/89/521874089.db2.gz GOQHKYUMVVVGJM-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074656 522127970 /nfs/dbraw/zinc/12/79/70/522127970.db2.gz ZVWDQKRIMWQRQJ-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074455 522128070 /nfs/dbraw/zinc/12/80/70/522128070.db2.gz PFTGWDYJVYCBEO-CVEARBPZSA-N 2 0 269.477 2.425 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000050953899 518382704 /nfs/dbraw/zinc/38/27/04/518382704.db2.gz VMLFPPYCSHIOCV-HUUCEWRRSA-N 2 0 252.402 2.020 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000050953904 518383671 /nfs/dbraw/zinc/38/36/71/518383671.db2.gz VMLFPPYCSHIOCV-CABCVRRESA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055163076 518710619 /nfs/dbraw/zinc/71/06/19/518710619.db2.gz CPVUSJCECGBVOS-CABCVRRESA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000049560739 519337017 /nfs/dbraw/zinc/33/70/17/519337017.db2.gz LHQCDBRJRVAVGA-OAHLLOKOSA-N 2 0 292.427 2.243 10 0 CEAERP CC(C)[NH+]1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860062 519683408 /nfs/dbraw/zinc/68/34/08/519683408.db2.gz OISFDADZPMPWPY-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP CC(C)C[N@H+](CCC[C@@H]1CCC[NH2+]1)CCN(C)C ZINC000052764552 519715661 /nfs/dbraw/zinc/71/56/61/519715661.db2.gz ARLNKLMIFZWHPK-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@](C)([NH3+])c1ccccc1 ZINC000052883592 519716205 /nfs/dbraw/zinc/71/62/05/519716205.db2.gz USPWUXWQYJIZBD-KRWDZBQOSA-N 2 0 277.456 2.380 10 0 CEAERP CC(C)C[N@H+](CCn1cc(C[NH2+]C(C)C)nn1)C(C)C ZINC000052572599 519717137 /nfs/dbraw/zinc/71/71/37/519717137.db2.gz ZSORZXVGXLVZEI-UHFFFAOYSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)[NH2+]C[C@@H](C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417108 519722531 /nfs/dbraw/zinc/72/25/31/519722531.db2.gz ORZSNJLMSHJQKQ-QGZVFWFLSA-N 2 0 289.467 2.438 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055082037 519726694 /nfs/dbraw/zinc/72/66/94/519726694.db2.gz WQUIQYQWVNDHNP-HOTGVXAUSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])CCc2ccccc2)CC1 ZINC000061625180 519727525 /nfs/dbraw/zinc/72/75/25/519727525.db2.gz QWCYLRCLURDIQL-GOSISDBHSA-N 2 0 289.467 2.220 10 0 CEAERP CC(C)C[NH+]1CCN([C@@](C)(C[NH3+])CC(C)C)CC1 ZINC000055078523 519728125 /nfs/dbraw/zinc/72/81/25/519728125.db2.gz FKJQFNJZYYLMTA-OAHLLOKOSA-N 2 0 255.450 2.024 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655452 519728771 /nfs/dbraw/zinc/72/87/71/519728771.db2.gz PXUQKMHQYGOKPH-GFCCVEGCSA-N 2 0 282.457 2.172 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571936 519748050 /nfs/dbraw/zinc/74/80/50/519748050.db2.gz DGVWLMDFNHYUIT-OAHLLOKOSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)[C@@H](C[NH+](C)C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052205967 519793551 /nfs/dbraw/zinc/79/35/51/519793551.db2.gz RIQSVBVMTPUGLX-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)c(C)c2)CC1 ZINC000050596474 519859766 /nfs/dbraw/zinc/85/97/66/519859766.db2.gz ISRZSSSYSCXRCK-MRXNPFEDSA-N 2 0 291.439 2.031 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)CC[NH+](C)C ZINC000054629720 519908663 /nfs/dbraw/zinc/90/86/63/519908663.db2.gz AHDXMHNHQVFFCP-HNSVSWJLSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+](C)C1 ZINC000054628922 519908902 /nfs/dbraw/zinc/90/89/02/519908902.db2.gz JSGDWFMOVRLWTH-MGNMYUMUSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H](OCC)C2)CCOCC1 ZINC000052198127 519910676 /nfs/dbraw/zinc/91/06/76/519910676.db2.gz HZVRLXDVFFWSCI-INIZCTEOSA-N 2 0 298.471 2.284 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CC[C@@H](C)C2)CCOCC1 ZINC000052182187 519910712 /nfs/dbraw/zinc/91/07/12/519910712.db2.gz UZMIAGBZGNGTMJ-CQSZACIVSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]CCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503255 519912603 /nfs/dbraw/zinc/91/26/03/519912603.db2.gz XLNFTSDNHVRGFY-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000052180690 519912891 /nfs/dbraw/zinc/91/28/91/519912891.db2.gz KHBJBDPUOFUBGE-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CC1(CN2CCC[C@H]2C[NH+](C)C)CCCC1 ZINC000061653475 519913250 /nfs/dbraw/zinc/91/32/50/519913250.db2.gz QNSOJLPFDCLIKH-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+]CCC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000061298845 519916777 /nfs/dbraw/zinc/91/67/77/519916777.db2.gz VJKGSVJWSQLFAI-UHFFFAOYSA-N 2 0 291.439 2.144 10 0 CEAERP CC[NH2+]CCCCC[N@H+](CCN(C)C)CC(C)C ZINC000052503377 519919213 /nfs/dbraw/zinc/91/92/13/519919213.db2.gz JBICIDMHOLHLHU-UHFFFAOYSA-N 2 0 257.466 2.286 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973283 519920132 /nfs/dbraw/zinc/92/01/32/519920132.db2.gz OITGUFVTOCDEKU-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000052422555 519923024 /nfs/dbraw/zinc/92/30/24/519923024.db2.gz ZZUBVZOJEIDWAM-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+]CC[C@@H](C)N1CC[NH+](Cc2ccccc2)CC1 ZINC000052417131 519928086 /nfs/dbraw/zinc/92/80/86/519928086.db2.gz VNWRTONDNWVHOG-MRXNPFEDSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479259 519939048 /nfs/dbraw/zinc/93/90/48/519939048.db2.gz LEFSDNUQMBMQDH-NWANDNLSSA-N 2 0 254.418 2.264 10 0 CEAERP CC[NH2+]C[C@@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011835 519951016 /nfs/dbraw/zinc/95/10/16/519951016.db2.gz DKWXDPMJCKMJDX-AWEZNQCLSA-N 2 0 250.361 2.300 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541467 519952118 /nfs/dbraw/zinc/95/21/18/519952118.db2.gz BLWPUWHVKPVCEF-GJZGRUSLSA-N 2 0 280.387 2.415 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCC(CC)CC2)O1 ZINC000052347063 519955254 /nfs/dbraw/zinc/95/52/54/519955254.db2.gz QQYGQERPQGAEFL-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000052504444 519958625 /nfs/dbraw/zinc/95/86/25/519958625.db2.gz MZVAYSZDRYTUNR-ZDUSSCGKSA-N 2 0 281.448 2.144 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903721 519961305 /nfs/dbraw/zinc/96/13/05/519961305.db2.gz NWCJAWYVFRQCPN-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066162 519986466 /nfs/dbraw/zinc/98/64/66/519986466.db2.gz GDLUDOWBLSIWTP-KKUMJFAQSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccn1 ZINC000062971497 519993666 /nfs/dbraw/zinc/99/36/66/519993666.db2.gz VBUZCYTUKOMMGW-KRWDZBQOSA-N 2 0 288.439 2.256 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000062972862 519996655 /nfs/dbraw/zinc/99/66/55/519996655.db2.gz JXZQDRHZSYWBLX-GOSISDBHSA-N 2 0 287.451 2.466 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000052541093 520007145 /nfs/dbraw/zinc/00/71/45/520007145.db2.gz XUWPZHSRTCRYLK-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000069074989 520082346 /nfs/dbraw/zinc/08/23/46/520082346.db2.gz CGUOHPQWSQAIMV-QGZVFWFLSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643709 520122754 /nfs/dbraw/zinc/12/27/54/520122754.db2.gz NPFLTJJQIWKYMC-FPCVCCKLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446565 520228096 /nfs/dbraw/zinc/22/80/96/520228096.db2.gz WUMKTFBMMAITTG-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C[NH2+]C)oc2C)C1 ZINC000052372313 520319802 /nfs/dbraw/zinc/31/98/02/520319802.db2.gz VESKINPBPNDMLD-CQSZACIVSA-N 2 0 266.385 2.308 10 0 CEAERP CCO[C@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052198140 520528230 /nfs/dbraw/zinc/52/82/30/520528230.db2.gz GKXBVSYCCAYESW-INIZCTEOSA-N 2 0 296.455 2.036 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000226739767 520633119 /nfs/dbraw/zinc/63/31/19/520633119.db2.gz IMTRCMGHLIQANY-SOUVJXGZSA-N 2 0 283.460 2.131 10 0 CEAERP CC[NH+](CC)CCN(C)C1(C[NH3+])CCC(C)CC1 ZINC000050088495 520638651 /nfs/dbraw/zinc/63/86/51/520638651.db2.gz YVDLBHXFTQJHJI-UHFFFAOYSA-N 2 0 255.450 2.168 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055139437 520729493 /nfs/dbraw/zinc/72/94/93/520729493.db2.gz JVRYUWZKBIVWTK-NFOMZHRRSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[C@]1(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[NH2+]C1 ZINC000062899599 521299495 /nfs/dbraw/zinc/29/94/95/521299495.db2.gz ATWGQJNRKNWHFU-KRWDZBQOSA-N 2 0 295.471 2.192 10 0 CEAERP CCC[C@]1(C[NH2+]CC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000062867620 521313534 /nfs/dbraw/zinc/31/35/34/521313534.db2.gz KPMHJWMHWSEPBD-CABCVRRESA-N 2 0 254.418 2.315 10 0 CEAERP CCC(CC)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000164390213 521617131 /nfs/dbraw/zinc/61/71/31/521617131.db2.gz CLHNRBBBABVWHJ-CVEARBPZSA-N 2 0 295.471 2.145 10 0 CEAERP CCC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C1CC1 ZINC000052181426 521618609 /nfs/dbraw/zinc/61/86/09/521618609.db2.gz JCRZKJKHMOMTTO-UHFFFAOYSA-N 2 0 266.429 2.410 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]CC(C)C)O2)CC1 ZINC000052484101 521655821 /nfs/dbraw/zinc/65/58/21/521655821.db2.gz SKUSPLCDQPEEAY-IRXDYDNUSA-N 2 0 298.471 2.281 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484096 521655845 /nfs/dbraw/zinc/65/58/45/521655845.db2.gz NYUACUDFDWOXOH-HZPDHXFCSA-N 2 0 298.471 2.423 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](CC)C[NH2+]C(C)(C)C ZINC000052544140 521658102 /nfs/dbraw/zinc/65/81/02/521658102.db2.gz FIPFDMQKKNPFCK-CQSZACIVSA-N 2 0 257.466 2.427 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH2+]C(C)C)c2ccccc2)CC1 ZINC000052422558 521695034 /nfs/dbraw/zinc/69/50/34/521695034.db2.gz DKTQSUSPVRMKSL-QGZVFWFLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815693 521717503 /nfs/dbraw/zinc/71/75/03/521717503.db2.gz KNDMZMVZUKLBEY-OAHLLOKOSA-N 2 0 262.397 2.387 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1C1(C[NH3+])CCCCCCC1 ZINC000061642993 521834656 /nfs/dbraw/zinc/83/46/56/521834656.db2.gz FKXRHRASARFIGG-HNNXBMFYSA-N 2 0 267.461 2.454 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000061642035 521842737 /nfs/dbraw/zinc/84/27/37/521842737.db2.gz GOQHKYUMVVVGJM-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C[NH+](C)C)C(C)C ZINC000054602600 521953337 /nfs/dbraw/zinc/95/33/37/521953337.db2.gz HNYCATZIHJBBCV-UYTSQGDYSA-N 2 0 267.461 2.178 10 0 CEAERP CC[C@@H](C)C[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454189 521971053 /nfs/dbraw/zinc/97/10/53/521971053.db2.gz WSTGYNPQYKXIEY-CQSZACIVSA-N 2 0 281.448 2.002 10 0 CEAERP C[NH2+]CC1CC[NH+](Cc2cn3cccc(C)c3n2)CC1 ZINC000063165920 521976647 /nfs/dbraw/zinc/97/66/47/521976647.db2.gz IHJPKNLSNMCAFZ-UHFFFAOYSA-N 2 0 272.396 2.074 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052417125 522000083 /nfs/dbraw/zinc/00/00/83/522000083.db2.gz JJEGXYBWPFHKJC-INIZCTEOSA-N 2 0 275.440 2.192 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000052543509 522122118 /nfs/dbraw/zinc/12/21/18/522122118.db2.gz JNMWLMWYVKQCGY-CQSZACIVSA-N 2 0 292.423 2.284 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065451 522130436 /nfs/dbraw/zinc/13/04/36/522130436.db2.gz BOWQDNGYTCZGFW-COXVUDFISA-N 2 0 273.424 2.027 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000052371174 522134411 /nfs/dbraw/zinc/13/44/11/522134411.db2.gz OLKSXDRSFSPAAQ-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP C[NH2+]Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000054905856 522145059 /nfs/dbraw/zinc/14/50/59/522145059.db2.gz FNJQYHZBSNLODD-UHFFFAOYSA-N 2 0 294.468 2.317 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571595 522195322 /nfs/dbraw/zinc/19/53/22/522195322.db2.gz MSPHLXLRWOLURN-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CN(C)c1cc[nH+]cc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050943715 522311195 /nfs/dbraw/zinc/31/11/95/522311195.db2.gz LZXGQYKOVPIHFY-GFCCVEGCSA-N 2 0 276.384 2.008 10 0 CEAERP C[NH2+][C@@H](C)c1cnc(N2CCC(C[NH+](C)C)CC2)s1 ZINC000054907423 522336762 /nfs/dbraw/zinc/33/67/62/522336762.db2.gz RATBCIKRQDAJST-NSHDSACASA-N 2 0 282.457 2.202 10 0 CEAERP C[NH2+][C@@H](C)c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054908864 522337806 /nfs/dbraw/zinc/33/78/06/522337806.db2.gz IOSWKWDAHQYXLQ-NSHDSACASA-N 2 0 282.457 2.344 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964085 522338435 /nfs/dbraw/zinc/33/84/35/522338435.db2.gz SKCYFBRCEAEPAD-BHYGNILZSA-N 2 0 291.439 2.110 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078802 522378232 /nfs/dbraw/zinc/37/82/32/522378232.db2.gz GAXZBPMXMXSNGR-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1ccc(C)c(C)c1 ZINC000062965073 522468160 /nfs/dbraw/zinc/46/81/60/522468160.db2.gz PDTYRUZIODMGPA-DLBZAZTESA-N 2 0 275.440 2.200 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503279 522543881 /nfs/dbraw/zinc/54/38/81/522543881.db2.gz VJATYQZXYAYJGQ-HNNXBMFYSA-N 2 0 257.466 2.283 10 0 CEAERP C[N@H+](CC1CCCCC1)CC1(C[NH3+])CCOCC1 ZINC000052197920 522656232 /nfs/dbraw/zinc/65/62/32/522656232.db2.gz IITNDJPPCCVSTM-UHFFFAOYSA-N 2 0 254.418 2.254 10 0 CEAERP C[N@H+](CCc1ccncc1)Cc1cc(F)ccc1C[NH3+] ZINC000069401272 522977333 /nfs/dbraw/zinc/97/73/33/522977333.db2.gz RAEZUURJLBYCAS-UHFFFAOYSA-N 2 0 273.355 2.354 10 0 CEAERP COCCC[N@H+](CCOC)Cc1ccoc1C[NH2+]C(C)C ZINC000052543249 523256733 /nfs/dbraw/zinc/25/67/33/523256733.db2.gz ZJKBZCYLRVTWDZ-UHFFFAOYSA-N 2 0 298.427 2.263 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)(C)C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969937 523640643 /nfs/dbraw/zinc/64/06/43/523640643.db2.gz QPYBNKWMROTFPF-HOCLYGCPSA-N 2 0 269.477 2.427 10 0 CEAERP COCC[N@H+](C[C@@H](C)C[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545311 523729131 /nfs/dbraw/zinc/72/91/31/523729131.db2.gz KFCHDDWMYMOWCX-STQMWFEESA-N 2 0 254.418 2.121 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOc1cccc(Cl)c1C(N)=[NH2+] ZINC000052907603 523824050 /nfs/dbraw/zinc/82/40/50/523824050.db2.gz OYTAZXMXJIIQJT-SNVBAGLBSA-N 2 0 281.787 2.487 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055072142 523952414 /nfs/dbraw/zinc/95/24/14/523952414.db2.gz ZCVVCHUZKMXOER-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072572 523955524 /nfs/dbraw/zinc/95/55/24/523955524.db2.gz BLIDCSDEMZZBOK-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065453 523959132 /nfs/dbraw/zinc/95/91/32/523959132.db2.gz BOWQDNGYTCZGFW-JQFCIGGWSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075231 524003963 /nfs/dbraw/zinc/00/39/63/524003963.db2.gz XNNOAZNTWWTDLI-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP COc1ccc(C[N@H+](C)Cc2ccoc2C[NH3+])cc1 ZINC000052541613 524005861 /nfs/dbraw/zinc/00/58/61/524005861.db2.gz MJMDHXIGHPLHIE-UHFFFAOYSA-N 2 0 260.337 2.379 10 0 CEAERP C[NH+](C)CCCO[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052672719 524057932 /nfs/dbraw/zinc/05/79/32/524057932.db2.gz ADFUVILQYIGRQU-MRXNPFEDSA-N 2 0 262.397 2.448 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180699 524098719 /nfs/dbraw/zinc/09/87/19/524098719.db2.gz AUGKCSHAXLVDBX-CQSZACIVSA-N 2 0 266.429 2.410 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[NH+]1CCN(C(C)(C)C)CC1 ZINC000052571670 524143344 /nfs/dbraw/zinc/14/33/44/524143344.db2.gz SMUHCJFLPHMJDK-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000049554262 524167906 /nfs/dbraw/zinc/16/79/06/524167906.db2.gz VFKQYQAPVYWADX-NEPJUHHUSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1C ZINC000052790278 524758259 /nfs/dbraw/zinc/75/82/59/524758259.db2.gz IUSGPRVJQPMVGX-AWEZNQCLSA-N 2 0 261.413 2.216 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642217 524854446 /nfs/dbraw/zinc/85/44/46/524854446.db2.gz BFXXCUHAJXGFTK-APHBMKBZSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964127 524854533 /nfs/dbraw/zinc/85/45/33/524854533.db2.gz NMIKQMNGKCZQOC-OUJBWJOFSA-N 2 0 287.860 2.426 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977596 525015850 /nfs/dbraw/zinc/01/58/50/525015850.db2.gz CNUUKELQSKHAOO-XOKHGSTOSA-N 2 0 291.414 2.384 10 0 CEAERP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053206142 526097062 /nfs/dbraw/zinc/09/70/62/526097062.db2.gz UHYXLPFJKHGHPN-USXIJHARSA-N 2 0 275.440 2.143 10 0 CEAERP C[C@@H](c1cccs1)[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275477 526142495 /nfs/dbraw/zinc/14/24/95/526142495.db2.gz DASMLJPYVHEOKB-ZDUSSCGKSA-N 2 0 267.442 2.036 10 0 CEAERP c1ccc(C[NH+]2CCSCC2)c(C[NH2+]C2CC2)c1 ZINC000052443311 526471251 /nfs/dbraw/zinc/47/12/51/526471251.db2.gz LEEXRXKFMIKQDG-UHFFFAOYSA-N 2 0 262.422 2.487 10 0 CEAERP Cc1oc(COCC[NH+](C)C)cc1C[NH2+]C(C)C ZINC000052669551 526774033 /nfs/dbraw/zinc/77/40/33/526774033.db2.gz BRVYCZXFPIRQEH-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP [NH3+]C1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000055144239 527140353 /nfs/dbraw/zinc/14/03/53/527140353.db2.gz ZEIKGWOAYURSEZ-UHFFFAOYSA-N 2 0 273.424 2.074 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517647 527239479 /nfs/dbraw/zinc/23/94/79/527239479.db2.gz ZYPQQXKQOZDCEJ-QLFBSQMISA-N 2 0 252.402 2.147 10 0 CEAERP CC[NH2+]Cc1cc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccn1 ZINC000094443301 535478721 /nfs/dbraw/zinc/47/87/21/535478721.db2.gz SDAIFYAHFGANHX-WMLDXEAASA-N 2 0 288.439 2.254 10 0 CEAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000237043756 535953608 /nfs/dbraw/zinc/95/36/08/535953608.db2.gz NVCRHLRJTYGLLU-YDHLFZDLSA-N 2 0 295.427 2.152 10 0 CEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757217702 574513215 /nfs/dbraw/zinc/51/32/15/574513215.db2.gz SACDGQRTELKFCD-PKCZLINISA-N 2 0 252.383 2.195 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000124002250 623558145 /nfs/dbraw/zinc/55/81/45/623558145.db2.gz HYSKUNUHGWWSTR-WMLDXEAASA-N 2 0 285.435 2.001 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000051692761 624521534 /nfs/dbraw/zinc/52/15/34/624521534.db2.gz GRWMTSMYQBPHCL-OFLPRAFFSA-N 2 0 273.424 2.120 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000261561966 628938550 /nfs/dbraw/zinc/93/85/50/628938550.db2.gz VUZOMFUFFWUNAX-GXSJLCMTSA-N 2 0 253.777 2.465 10 0 CEAERP Fc1cc(F)cc(CC[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000129229292 651881475 /nfs/dbraw/zinc/88/14/75/651881475.db2.gz FWPJRADKMCJHSD-AWEZNQCLSA-N 2 0 254.324 2.239 10 0 CEAERP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCO1 ZINC000036961239 361875152 /nfs/dbraw/zinc/87/51/52/361875152.db2.gz XJXYXKVMIPWOFT-XJKSGUPXSA-N 2 0 275.396 2.208 10 0 CEAERP [NH3+]CC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000097026812 185154756 /nfs/dbraw/zinc/15/47/56/185154756.db2.gz WXDLRSOZQGZGON-UHFFFAOYSA-N 2 0 258.287 2.285 10 0 CEAERP C[N@H+]([C@H]1C[C@@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264543 539212745 /nfs/dbraw/zinc/21/27/45/539212745.db2.gz URQOCWJRGDULTF-KGLIPLIRSA-N 2 0 252.402 2.147 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262336052 344654466 /nfs/dbraw/zinc/65/44/66/344654466.db2.gz ZEBGIMGNJSLKAE-OWCLPIDISA-N 2 0 295.471 2.275 10 0 CEAERP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307399201 344722401 /nfs/dbraw/zinc/72/24/01/344722401.db2.gz VUIBAYGKFDAQJI-FZCLSBEQSA-N 2 0 287.451 2.461 10 0 CEAERP c1ccc(C[N@@H+]2CCCN([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500164 344713851 /nfs/dbraw/zinc/71/38/51/344713851.db2.gz MSLPODGGGOHCRJ-GOSISDBHSA-N 2 0 287.451 2.336 10 0 CEAERP C[C@H]1CC2(CC[N@H+](CCC[NH+](C)C)C2)C[C@H](C)O1 ZINC000584640946 344972210 /nfs/dbraw/zinc/97/22/10/344972210.db2.gz WIKJZUNLRCPHQY-KBPBESRZSA-N 2 0 254.418 2.218 10 0 CEAERP C[C@H]1CC[C@](CN)([NH+]2CCC(C[NH+](C)C)CC2)C[C@@H]1C ZINC000084989647 178939898 /nfs/dbraw/zinc/93/98/98/178939898.db2.gz OLDHUJVGXKCPRU-ZOBUZTSGSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@H](C[C@@](C)(O)C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000085302799 179011366 /nfs/dbraw/zinc/01/13/66/179011366.db2.gz RUPLSVONVMIIFN-ZIAGYGMSSA-N 2 0 254.418 2.131 10 0 CEAERP Cc1nccn1CC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403841 179052960 /nfs/dbraw/zinc/05/29/60/179052960.db2.gz DJQLGZRAHUUESS-QGZVFWFLSA-N 2 0 290.455 2.436 10 0 CEAERP C([C@@H]1CCCO1)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403683 179053118 /nfs/dbraw/zinc/05/31/18/179053118.db2.gz CKCYVIFQRJRPTO-JKSUJKDBSA-N 2 0 266.429 2.410 10 0 CEAERP CCCNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403666 179053298 /nfs/dbraw/zinc/05/32/98/179053298.db2.gz VQSDDIMRZXGJJJ-GDBMZVCRSA-N 2 0 295.471 2.145 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](C2CC2)C[N@@H+]1CCCOCC(F)(F)F ZINC000085626723 179107189 /nfs/dbraw/zinc/10/71/89/179107189.db2.gz ONYIYUGTBSCRGM-YPMHNXCESA-N 2 0 294.361 2.418 10 0 CEAERP CC[NH+]1CCC(Cn2c3c(nc2C2CC2)C[NH2+]CC3)CC1 ZINC000085573302 179098191 /nfs/dbraw/zinc/09/81/91/179098191.db2.gz VEEKPUHWGRFWFN-UHFFFAOYSA-N 2 0 288.439 2.138 10 0 CEAERP CC(C)Cc1nc2c(n1[C@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573464 179098547 /nfs/dbraw/zinc/09/85/47/179098547.db2.gz QNQONCMWPKIOCY-CYBMUJFWSA-N 2 0 278.444 2.240 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085608428 179101801 /nfs/dbraw/zinc/10/18/01/179101801.db2.gz ULBRYAHZIQYDKS-LBPRGKRZSA-N 2 0 282.350 2.275 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085609433 179101841 /nfs/dbraw/zinc/10/18/41/179101841.db2.gz ULLRVVFDJUXDNO-ILXRZTDVSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624332 179107438 /nfs/dbraw/zinc/10/74/38/179107438.db2.gz HVIDODIXTBRKFF-HZSPNIEDSA-N 2 0 254.418 2.264 10 0 CEAERP Cc1ccc(C[NH2+]CC[C@@H]2CSCC[NH2+]2)s1 ZINC000085616143 179104066 /nfs/dbraw/zinc/10/40/66/179104066.db2.gz UNNFYWBTGSCHFL-LLVKDONJSA-N 2 0 256.440 2.241 10 0 CEAERP Cc1nccn1CC[N@H+]1CC2(CCCC2)[NH2+]CC[C@H]1C ZINC000085623231 179105903 /nfs/dbraw/zinc/10/59/03/179105903.db2.gz XCFDSGGPGNPPOM-CQSZACIVSA-N 2 0 276.428 2.188 10 0 CEAERP Cc1cc(N2CCC([NH+](C)C)CC2)ccc1C[C@@H](C)[NH3+] ZINC000111493860 136562543 /nfs/dbraw/zinc/56/25/43/136562543.db2.gz MXOBRGAHNVKRSF-CQSZACIVSA-N 2 0 275.440 2.415 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085971336 179206449 /nfs/dbraw/zinc/20/64/49/179206449.db2.gz JNXHIWCFRNGHBY-QXSJWSMHSA-N 2 0 268.445 2.248 10 0 CEAERP C1C[N@@H+]2CCCC[C@@H]2[C@@H]1N1CC[NH2+]C2(CCCCC2)C1 ZINC000086144837 179237652 /nfs/dbraw/zinc/23/76/52/179237652.db2.gz UOSOMODBXGXTJV-HZPDHXFCSA-N 2 0 277.456 2.221 10 0 CEAERP C[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CN1 ZINC000086173649 179243996 /nfs/dbraw/zinc/24/39/96/179243996.db2.gz FMUUUCIOKPHMEH-QAPCUYQASA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H](C)[C@@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145693 179239061 /nfs/dbraw/zinc/23/90/61/179239061.db2.gz OJXWZAMVKQJFNF-HOCLYGCPSA-N 2 0 267.461 2.038 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146517 179239200 /nfs/dbraw/zinc/23/92/00/179239200.db2.gz YLYXUBSZBDWAIV-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)C[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182723 179248180 /nfs/dbraw/zinc/24/81/80/179248180.db2.gz NZPUTSGJLVVONJ-OKZBNKHCSA-N 2 0 293.499 2.425 10 0 CEAERP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217850 179249443 /nfs/dbraw/zinc/24/94/43/179249443.db2.gz CMLMYBHRMWXKOI-MAUKXSAKSA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225410 179253935 /nfs/dbraw/zinc/25/39/35/179253935.db2.gz UHJZKOZGAZMPMA-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260732 179259978 /nfs/dbraw/zinc/25/99/78/179259978.db2.gz TXOHEJOTPDKCFQ-KBAYOESNSA-N 2 0 293.499 2.425 10 0 CEAERP C[C@H]([C@@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287095 179264756 /nfs/dbraw/zinc/26/47/56/179264756.db2.gz BGLWGTDPGPQTDL-KGLIPLIRSA-N 2 0 252.402 2.162 10 0 CEAERP CC[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086255874 179256536 /nfs/dbraw/zinc/25/65/36/179256536.db2.gz BYYASOWDHZFPHO-ZNMIVQPWSA-N 2 0 255.450 2.035 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCCN[C@H](C(C)(C)C)C2)CC1 ZINC000086291460 179265641 /nfs/dbraw/zinc/26/56/41/179265641.db2.gz PNEONAYHTSYYAM-HNNXBMFYSA-N 2 0 267.461 2.038 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH2+]Cc2cc(Br)cs2)C1 ZINC000086400825 179285396 /nfs/dbraw/zinc/28/53/96/179285396.db2.gz RHYYITNDLOHUQX-DTWKUNHWSA-N 2 0 275.215 2.480 10 0 CEAERP CC[NH2+][C@H]1CCCc2sc(N(C)CC[NH+](C)C)nc21 ZINC000086444193 179293609 /nfs/dbraw/zinc/29/36/09/179293609.db2.gz KRGVEQOHQKQEGI-NSHDSACASA-N 2 0 282.457 2.128 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N(C)C[C@@H]3CC[N@H+](C)C3)nc21 ZINC000086444119 179293932 /nfs/dbraw/zinc/29/39/32/179293932.db2.gz WKTOVOLSYZGNKH-NEPJUHHUSA-N 2 0 294.468 2.128 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(OCCC[NH+]2CCCC2)C1 ZINC000086712300 179322763 /nfs/dbraw/zinc/32/27/63/179322763.db2.gz OMNKZEKGBDCJHJ-HUUCEWRRSA-N 2 0 254.418 2.397 10 0 CEAERP CN(c1ccccc1F)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819529 179347897 /nfs/dbraw/zinc/34/78/97/179347897.db2.gz SLFWTBFOSQQGGH-HNNXBMFYSA-N 2 0 265.376 2.075 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]CCCOCc2ccco2)CC1 ZINC000086817377 179345349 /nfs/dbraw/zinc/34/53/49/179345349.db2.gz HLTMMFVNJIREHJ-AWEZNQCLSA-N 2 0 266.385 2.260 10 0 CEAERP COCc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086818623 179346676 /nfs/dbraw/zinc/34/66/76/179346676.db2.gz KEEQCNDREXQOER-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846184 179355735 /nfs/dbraw/zinc/35/57/35/179355735.db2.gz OPJDMAAKSSQRCG-LSDHHAIUSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848496 179356334 /nfs/dbraw/zinc/35/63/34/179356334.db2.gz CKRPTXCUZPLFNX-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848217 179357236 /nfs/dbraw/zinc/35/72/36/179357236.db2.gz KARYFSUSINTHAQ-HNNXBMFYSA-N 2 0 296.484 2.168 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847087 179357365 /nfs/dbraw/zinc/35/73/65/179357365.db2.gz ISFUYYPCWBKVQC-QGZVFWFLSA-N 2 0 290.455 2.105 10 0 CEAERP C[NH2+]C[C@H]1CCCN([C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086850840 179357582 /nfs/dbraw/zinc/35/75/82/179357582.db2.gz IEADDQVDLBJPAM-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCC(C)(C)[NH+](C)C)CC1 ZINC000086836307 179352079 /nfs/dbraw/zinc/35/20/79/179352079.db2.gz ZYJWVCHGOIBTBY-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843161 179352575 /nfs/dbraw/zinc/35/25/75/179352575.db2.gz ZUMYDPFNQZNYTG-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCC[C@@H](C)C2)CC1 ZINC000086846247 179354383 /nfs/dbraw/zinc/35/43/83/179354383.db2.gz YJJFXFFHBSSMBX-HZPDHXFCSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](O)([C@@H]2CCCCC[NH2+]2)CC1 ZINC000086867742 179361023 /nfs/dbraw/zinc/36/10/23/179361023.db2.gz XZNKHZJOFZTOBQ-LSDHHAIUSA-N 2 0 254.418 2.144 10 0 CEAERP C[NH2+]C[C@H]1CCCCN1[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086850972 179358956 /nfs/dbraw/zinc/35/89/56/179358956.db2.gz BMJPAKDKBIXKBC-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086913667 179367231 /nfs/dbraw/zinc/36/72/31/179367231.db2.gz DUNMDIWITASUQK-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP CC1(C)CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916922 179367953 /nfs/dbraw/zinc/36/79/53/179367953.db2.gz QZXLKVRGWVGDAR-GJZGRUSLSA-N 2 0 295.471 2.132 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016891 179380907 /nfs/dbraw/zinc/38/09/07/179380907.db2.gz JNHUNOVWTSWMHJ-HUUCEWRRSA-N 2 0 268.445 2.392 10 0 CEAERP COCC1CC[NH+](C[C@H](C)CCC[C@H](C)[NH3+])CC1 ZINC000087706309 179474114 /nfs/dbraw/zinc/47/41/14/179474114.db2.gz INABMCJTRYZVSI-KGLIPLIRSA-N 2 0 256.434 2.498 10 0 CEAERP C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000400563631 233178838 /nfs/dbraw/zinc/17/88/38/233178838.db2.gz IKFLCBGTMMYVCS-BFYDXBDKSA-N 2 0 276.424 2.427 10 0 CEAERP C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1CO)C1CC[NH+](C)CC1 ZINC000089504941 179806709 /nfs/dbraw/zinc/80/67/09/179806709.db2.gz CYFDKIJCFUMDFD-NUEKZKHPSA-N 2 0 268.445 2.105 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000090566331 180005492 /nfs/dbraw/zinc/00/54/92/180005492.db2.gz NWYMCAOGUZYXKF-WBVHZDCISA-N 2 0 292.423 2.142 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CCOC)C(CC)CC ZINC000090566570 180006243 /nfs/dbraw/zinc/00/62/43/180006243.db2.gz OHLXFIMDKJQNKN-GOEBONIOSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]CC1(C)CCCC1 ZINC000090566998 180006744 /nfs/dbraw/zinc/00/67/44/180006744.db2.gz RZZORHQQTBMXJB-UONOGXRCSA-N 2 0 254.418 2.171 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000090874133 180049863 /nfs/dbraw/zinc/04/98/63/180049863.db2.gz VGLULTWFQLOLTQ-AWEZNQCLSA-N 2 0 262.397 2.168 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH+]1CCC([C@H](C)[NH3+])CC1)O2 ZINC000090896666 180057128 /nfs/dbraw/zinc/05/71/28/180057128.db2.gz BWDPBAUHJCOAIN-XJKSGUPXSA-N 2 0 274.408 2.358 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090896641 180057454 /nfs/dbraw/zinc/05/74/54/180057454.db2.gz WJHLOEPSVUSKKG-INIZCTEOSA-N 2 0 292.398 2.451 10 0 CEAERP CCCC1(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]CC1 ZINC000090908674 180062260 /nfs/dbraw/zinc/06/22/60/180062260.db2.gz SZCBUDAZXONVLH-OKILXGFUSA-N 2 0 252.402 2.020 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]Cc1c[nH]c2ncccc12 ZINC000091016086 180087222 /nfs/dbraw/zinc/08/72/22/180087222.db2.gz OPJPCCNTSHSEKO-UHFFFAOYSA-N 2 0 260.385 2.240 10 0 CEAERP CCC[C@H](C[NH3+])[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376912 539758098 /nfs/dbraw/zinc/75/80/98/539758098.db2.gz BACVTAJZFUQJBN-IAGOWNOFSA-N 2 0 276.424 2.389 10 0 CEAERP C[C@H]1c2ccsc2CC[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC000091313971 180132935 /nfs/dbraw/zinc/13/29/35/180132935.db2.gz LGGYNANZIZRQFU-NWDGAFQWSA-N 2 0 266.410 2.046 10 0 CEAERP C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000091362502 180141617 /nfs/dbraw/zinc/14/16/17/180141617.db2.gz BTWUUERZURCVRR-INMHGKMJSA-N 2 0 277.456 2.077 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362116 180141930 /nfs/dbraw/zinc/14/19/30/180141930.db2.gz FYFCHZSCLDYPHA-IKGGRYGDSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432954 180153471 /nfs/dbraw/zinc/15/34/71/180153471.db2.gz ISAVQFPZGFFWNP-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091433231 180153847 /nfs/dbraw/zinc/15/38/47/180153847.db2.gz PKNVGUWFZIPWAE-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP C[N@H+](CC1CC(O)C1)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000091451681 180158603 /nfs/dbraw/zinc/15/86/03/180158603.db2.gz RTZKLCHSGJRDII-FSXGRMEGSA-N 2 0 282.472 2.479 10 0 CEAERP CC[NH2+]CC[C@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091467918 180164139 /nfs/dbraw/zinc/16/41/39/180164139.db2.gz GRYVPGHDRXHJKL-HNNXBMFYSA-N 2 0 266.385 2.000 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091498833 180173764 /nfs/dbraw/zinc/17/37/64/180173764.db2.gz CGNFCXIMUYEBBZ-GYTBAZASSA-N 2 0 282.472 2.494 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091499469 180173788 /nfs/dbraw/zinc/17/37/88/180173788.db2.gz ZTDXMDKFESRLRU-ZBCRRDGASA-N 2 0 270.461 2.494 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000091392539 180144841 /nfs/dbraw/zinc/14/48/41/180144841.db2.gz GCYXUYATQKOKGM-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392840 180145678 /nfs/dbraw/zinc/14/56/78/180145678.db2.gz QAJJZGPPPCHWNB-UKPHBRMFSA-N 2 0 291.439 2.110 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C(C)C)CC1 ZINC000091402946 180147085 /nfs/dbraw/zinc/14/70/85/180147085.db2.gz VURSJKAYJREGEC-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C2CC2)CC1 ZINC000091404438 180147334 /nfs/dbraw/zinc/14/73/34/180147334.db2.gz GSFKOMUQWYIDDE-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 ZINC000091565067 180193216 /nfs/dbraw/zinc/19/32/16/180193216.db2.gz JJGBKAJBVMOMBW-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@H](C)n1ccc(C[C@H]([NH3+])CC[NH+](CC)CC)n1 ZINC000091715733 180232022 /nfs/dbraw/zinc/23/20/22/180232022.db2.gz UUQMKSAIEAAAIF-UONOGXRCSA-N 2 0 266.433 2.456 10 0 CEAERP CCCN[C@H](CC[NH+](CC)CC)c1c[nH+]ccc1N ZINC000091716829 180232281 /nfs/dbraw/zinc/23/22/81/180232281.db2.gz SSRQPSAARSDPRT-OAHLLOKOSA-N 2 0 264.417 2.436 10 0 CEAERP CCc1nn(C)c(C[C@@H]([NH3+])CC[NH+](CC)CC)c1Cl ZINC000091715771 180232341 /nfs/dbraw/zinc/23/23/41/180232341.db2.gz PBEWULQJWPTSEU-NSHDSACASA-N 2 0 286.851 2.238 10 0 CEAERP Cc1cc(C)c(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720571 180236107 /nfs/dbraw/zinc/23/61/07/180236107.db2.gz CUOIDXFBKBRMEI-BPQIPLTHSA-N 2 0 288.435 2.345 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)C1CCN(CC)CC1 ZINC000091851709 180273013 /nfs/dbraw/zinc/27/30/13/180273013.db2.gz GUUMESMTFSXIDH-UHFFFAOYSA-N 2 0 267.461 2.453 10 0 CEAERP CCN(CC)C(=O)CCC[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850714 180271851 /nfs/dbraw/zinc/27/18/51/180271851.db2.gz YWBZHWVMSDZWCI-UHFFFAOYSA-N 2 0 283.460 2.227 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000091871126 180276943 /nfs/dbraw/zinc/27/69/43/180276943.db2.gz QGDLFWHZXYKLDP-UHFFFAOYSA-N 2 0 278.396 2.363 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000091870595 180277178 /nfs/dbraw/zinc/27/71/78/180277178.db2.gz UTXXPMIZAXAWBX-UHFFFAOYSA-N 2 0 289.423 2.396 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2c(C)noc2C)CC1 ZINC000091871498 180277199 /nfs/dbraw/zinc/27/71/99/180277199.db2.gz UCNDZBNCGMOHBX-UHFFFAOYSA-N 2 0 251.374 2.254 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000091873143 180278146 /nfs/dbraw/zinc/27/81/46/180278146.db2.gz CZZJYXFKBPDSLE-UHFFFAOYSA-N 2 0 294.395 2.337 10 0 CEAERP CC(C)[NH+]1CCC(O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091906389 180283779 /nfs/dbraw/zinc/28/37/79/180283779.db2.gz CVYIIMDOLREBJK-UHFFFAOYSA-N 2 0 254.418 2.131 10 0 CEAERP CC[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000091922556 180286836 /nfs/dbraw/zinc/28/68/36/180286836.db2.gz HKNJEWAUBWCUGR-UYSNPLJNSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@H]1C[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082184 180319385 /nfs/dbraw/zinc/31/93/85/180319385.db2.gz YGEIYPBZKIZGHA-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP [NH3+][C@@H]1C=C[C@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000092202931 180343345 /nfs/dbraw/zinc/34/33/45/180343345.db2.gz XZMGMELAFRDRNV-LSDHHAIUSA-N 2 0 285.391 2.124 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000092202932 180343512 /nfs/dbraw/zinc/34/35/12/180343512.db2.gz XZMGMELAFRDRNV-HUUCEWRRSA-N 2 0 285.391 2.124 10 0 CEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262339 180355016 /nfs/dbraw/zinc/35/50/16/180355016.db2.gz NQXDDBRPFHTRFJ-JQWIXIFHSA-N 2 0 263.410 2.350 10 0 CEAERP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302669 180359457 /nfs/dbraw/zinc/35/94/57/180359457.db2.gz WSHKLUWICLXPPS-ZIAGYGMSSA-N 2 0 260.381 2.094 10 0 CEAERP C[C@@H](C[N@H+](C)Cc1ccnc2ccccc12)C(N)=[NH2+] ZINC000092348142 180366892 /nfs/dbraw/zinc/36/68/92/180366892.db2.gz RRMFQPBPOOICFS-NSHDSACASA-N 2 0 256.353 2.239 10 0 CEAERP CC[NH+](CC)CCCNC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402147 180377292 /nfs/dbraw/zinc/37/72/92/180377292.db2.gz CJUWMJZRUVGCGN-GFCCVEGCSA-N 2 0 257.447 2.435 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000092419132 180382628 /nfs/dbraw/zinc/38/26/28/180382628.db2.gz ULMGWOJFLLYQGF-INIZCTEOSA-N 2 0 276.428 2.430 10 0 CEAERP Cc1ccc(SCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107573184 186179930 /nfs/dbraw/zinc/17/99/30/186179930.db2.gz CRXUTWMROXGYSX-KBPBESRZSA-N 2 0 262.422 2.238 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000109496061 186256539 /nfs/dbraw/zinc/25/65/39/186256539.db2.gz MQIGBJAMLSZEFX-AAEUAGOBSA-N 2 0 268.405 2.041 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H](C(C)C)[C@H](C)[NH2+]C)n1 ZINC000109496313 186256882 /nfs/dbraw/zinc/25/68/82/186256882.db2.gz NAVIUJNMXOSSIJ-JSGCOSHPSA-N 2 0 282.432 2.301 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCOC1 ZINC000109550420 186261571 /nfs/dbraw/zinc/26/15/71/186261571.db2.gz GOWFPMTXKRWNAZ-JALIKCBVSA-N 2 0 252.402 2.160 10 0 CEAERP CCC[C@@H](C)C[NH+]1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000109461717 186254487 /nfs/dbraw/zinc/25/44/87/186254487.db2.gz MDRULEOIQKWAQW-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP CCN(CC)[C@@H]1CC[N@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000110370755 186294040 /nfs/dbraw/zinc/29/40/40/186294040.db2.gz IQBKUDBXRCFHQY-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370820 186294748 /nfs/dbraw/zinc/29/47/48/186294748.db2.gz QBRHJAJNZLJMRP-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@H+](CC1CCCC1)C[C@@]1(C[NH2+]C2CC2)CCOC1 ZINC000110841817 186328613 /nfs/dbraw/zinc/32/86/13/186328613.db2.gz YFQFVGVCDILDFX-INIZCTEOSA-N 2 0 266.429 2.267 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110704827 186314175 /nfs/dbraw/zinc/31/41/75/186314175.db2.gz FSUOXBWSMGEOLH-GXTWGEPZSA-N 2 0 281.469 2.471 10 0 CEAERP COc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110705115 186314227 /nfs/dbraw/zinc/31/42/27/186314227.db2.gz XMHHMZWUWBYCGN-BBRMVZONSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704648 186315044 /nfs/dbraw/zinc/31/50/44/186315044.db2.gz GQMPDXLOUSKUNO-GOEBONIOSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711656 186315480 /nfs/dbraw/zinc/31/54/80/186315480.db2.gz ICOKAIXEGUKUTK-OAHLLOKOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716404 186315606 /nfs/dbraw/zinc/31/56/06/186315606.db2.gz ITWLNTWQYGAOBM-GDBMZVCRSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC000110710111 186316300 /nfs/dbraw/zinc/31/63/00/186316300.db2.gz RXAGXXIJUPPLDH-HOTGVXAUSA-N 2 0 291.439 2.029 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000110754505 186320330 /nfs/dbraw/zinc/32/03/30/186320330.db2.gz IXESQUUNHSCCBH-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758778 186321924 /nfs/dbraw/zinc/32/19/24/186321924.db2.gz FKBQCSLUOXCMFN-UHFFFAOYSA-N 2 0 296.484 2.419 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757945 186322064 /nfs/dbraw/zinc/32/20/64/186322064.db2.gz FZJBOIYNFNXNPH-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCN1CC[N@@H+]([C@@H](C)CCC[NH2+]C(C)C)C[C@@H]1C ZINC000110752474 186322099 /nfs/dbraw/zinc/32/20/99/186322099.db2.gz KSJPBQQWOAGENX-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H]1CN(CC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC000110757382 186322224 /nfs/dbraw/zinc/32/22/24/186322224.db2.gz AEXKLMADURFCGZ-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2ccc(F)cc2C(N)=[NH2+])C1 ZINC000111034771 186347188 /nfs/dbraw/zinc/34/71/88/186347188.db2.gz XDBUZLGQSCZCCK-LBPRGKRZSA-N 2 0 278.375 2.030 10 0 CEAERP Cc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]CC(C)C ZINC000111151764 186361221 /nfs/dbraw/zinc/36/12/21/186361221.db2.gz NYPYOPQGXQPNRK-UHFFFAOYSA-N 2 0 284.473 2.195 10 0 CEAERP CC[NH+](CC)Cc1ccc(C[NH2+]CC(OC)OC)cc1 ZINC000111111882 186354015 /nfs/dbraw/zinc/35/40/15/186354015.db2.gz DTDODBZYIXPAMT-UHFFFAOYSA-N 2 0 280.412 2.237 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C(C)C)N(C)CC[NH+](C)C ZINC000111134231 186356308 /nfs/dbraw/zinc/35/63/08/186356308.db2.gz MSUKMPGXKMOULC-IRXDYDNUSA-N 2 0 277.456 2.465 10 0 CEAERP CN(CCC[NH+](C)C)[C@@](C)(C[NH3+])CCc1ccccc1 ZINC000111133490 186356327 /nfs/dbraw/zinc/35/63/27/186356327.db2.gz ZITUYZKWVNMPGH-QGZVFWFLSA-N 2 0 277.456 2.220 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CC[NH+](C)C ZINC000111130000 186356601 /nfs/dbraw/zinc/35/66/01/186356601.db2.gz XKOQBFSEBYUZBG-CABCVRRESA-N 2 0 267.392 2.098 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1C ZINC000111133424 186356675 /nfs/dbraw/zinc/35/66/75/186356675.db2.gz PLLZAHBQGBTJRA-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP C[C@H](C[C@H](C[NH3+])N(C)CCC[NH+](C)C)c1ccccc1 ZINC000111133838 186356778 /nfs/dbraw/zinc/35/67/78/186356778.db2.gz LUSKKICALJYROO-NVXWUHKLSA-N 2 0 277.456 2.391 10 0 CEAERP CC(C)Oc1ccc([C@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136689 186356886 /nfs/dbraw/zinc/35/68/86/186356886.db2.gz RPTPVEHVJNOYLI-QGZVFWFLSA-N 2 0 293.455 2.357 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CCC[C@H]1N(C)CC[NH+](C)C ZINC000111134397 186357147 /nfs/dbraw/zinc/35/71/47/186357147.db2.gz XNVAZCHIEBXKDA-SJORKVTESA-N 2 0 275.440 2.145 10 0 CEAERP CCc1ccc([C@H]([NH2+]C)[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134434 186357661 /nfs/dbraw/zinc/35/76/61/186357661.db2.gz XPRMBVKBTXSFHI-RHSMWYFYSA-N 2 0 277.456 2.391 10 0 CEAERP CCc1ccc([C@H]([NH2+]C)[C@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134440 186357687 /nfs/dbraw/zinc/35/76/87/186357687.db2.gz XPRMBVKBTXSFHI-WMLDXEAASA-N 2 0 277.456 2.391 10 0 CEAERP Cc1cc(CN(C)CCC[NH+](C)C)oc1C[NH2+]C1CC1 ZINC000111150255 186359796 /nfs/dbraw/zinc/35/97/96/186359796.db2.gz FGLZEYFQGAJJJI-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174909 186364842 /nfs/dbraw/zinc/36/48/42/186364842.db2.gz HSOYGDAILDOYLD-ZDUSSCGKSA-N 2 0 266.385 2.248 10 0 CEAERP CC[C@@]1(C[N@H+](C)CC2CCOCC2)CCC[NH2+]C1 ZINC000111179320 186366844 /nfs/dbraw/zinc/36/68/44/186366844.db2.gz QXSORKVTOFXBFF-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)C[C@@H](C)CC)CCCOC1 ZINC000111324955 186399143 /nfs/dbraw/zinc/39/91/43/186399143.db2.gz DOEFDOWWUIXJGT-LSDHHAIUSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)CCC(C)C)CCCOC1 ZINC000111328317 186399544 /nfs/dbraw/zinc/39/95/44/186399544.db2.gz IKHRBRKPNHPSLN-OAHLLOKOSA-N 2 0 256.434 2.371 10 0 CEAERP CCC(CC)[N@H+](CCOC)C[C@]1(C[NH2+]C)CCCOC1 ZINC000111328262 186399666 /nfs/dbraw/zinc/39/96/66/186399666.db2.gz XTHRVOGHNPLTBL-MRXNPFEDSA-N 2 0 286.460 2.140 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](CC2CC2)C(C)C)CCCOC1 ZINC000111328290 186399818 /nfs/dbraw/zinc/39/98/18/186399818.db2.gz XQBTWWKZVYMABM-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]Cc1ccoc1CN(C)CCC[NH+](C)C ZINC000111239057 186374455 /nfs/dbraw/zinc/37/44/55/186374455.db2.gz FHNSKWQKCFWZKJ-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP COc1cccc([C@H]([NH3+])c2cccn2CC[NH+](C)C)c1 ZINC000011848784 361366619 /nfs/dbraw/zinc/36/66/19/361366619.db2.gz QPBNBKFJMRTRIN-INIZCTEOSA-N 2 0 273.380 2.106 10 0 CEAERP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000580289942 366776363 /nfs/dbraw/zinc/77/63/63/366776363.db2.gz NVLAMCCPLILZKJ-ZFWWWQNUSA-N 2 0 262.397 2.215 10 0 CEAERP CCC[N@H+](CCC[NH3+])[C@@H]1CCc2c(O)cccc2C1 ZINC000027998583 361665062 /nfs/dbraw/zinc/66/50/62/361665062.db2.gz STZVDNIQZPXBQC-CQSZACIVSA-N 2 0 262.397 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@H](Nc2cc(N3CCCCC3)ncn2)C1 ZINC000112075891 364772449 /nfs/dbraw/zinc/77/24/49/364772449.db2.gz WAXKPEZZMGNLPC-CQSZACIVSA-N 2 0 289.427 2.363 10 0 CEAERP c1ccc(COC2CC([NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000583928748 367116002 /nfs/dbraw/zinc/11/60/02/367116002.db2.gz HWWQNKJAZANYKC-GTPINHCMSA-N 2 0 274.408 2.466 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245428803 370818721 /nfs/dbraw/zinc/81/87/21/370818721.db2.gz JMLLLDRTXNURDW-XUWVNRHRSA-N 2 0 295.471 2.190 10 0 CEAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000172646821 367792597 /nfs/dbraw/zinc/79/25/97/367792597.db2.gz CHENLEJJGDJIBT-VQHPVUNQSA-N 2 0 298.471 2.375 10 0 CEAERP C[N@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231460741 370480956 /nfs/dbraw/zinc/48/09/56/370480956.db2.gz KPPSZDOOOFDIBI-INIZCTEOSA-N 2 0 284.407 2.446 10 0 CEAERP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)CC[N@@H+]1C ZINC000247970012 371151605 /nfs/dbraw/zinc/15/16/05/371151605.db2.gz IXNRRRANGGKUPG-HYVNUMGLSA-N 2 0 275.440 2.362 10 0 CEAERP C[C@@H]1CCN(C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000251636450 371410103 /nfs/dbraw/zinc/41/01/03/371410103.db2.gz ITENVVWXTWJWCX-CRAIPNDOSA-N 2 0 287.451 2.320 10 0 CEAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C ZINC000262003783 371797243 /nfs/dbraw/zinc/79/72/43/371797243.db2.gz UKEYCQTYCHSDNV-KKUMJFAQSA-N 2 0 260.381 2.173 10 0 CEAERP CCn1nc(C)c([C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)c1C ZINC000344320892 217147681 /nfs/dbraw/zinc/14/76/81/217147681.db2.gz IVNDLKBXSRFHHI-LBPRGKRZSA-N 2 0 276.428 2.432 10 0 CEAERP CCC1(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCOCC1 ZINC000334256159 206265273 /nfs/dbraw/zinc/26/52/73/206265273.db2.gz MCDDRFLLSQQCPT-MRXNPFEDSA-N 2 0 266.429 2.269 10 0 CEAERP C[C@@H]([NH2+]CCN(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000520793842 379504249 /nfs/dbraw/zinc/50/42/49/379504249.db2.gz LMRGSNMODHOYFS-NVXWUHKLSA-N 2 0 275.440 2.096 10 0 CEAERP CC[NH+](CC)CCN1C(N)=[NH+]C[C@@]12CCCC(C)(C)C2 ZINC000093382371 184669394 /nfs/dbraw/zinc/66/93/94/184669394.db2.gz LMDNVVIRZLTCPT-INIZCTEOSA-N 2 0 280.460 2.298 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(OCC)OCC)CC1 ZINC000093447074 184676170 /nfs/dbraw/zinc/67/61/70/184676170.db2.gz AUOPXLPTFVIGOG-CQSZACIVSA-N 2 0 286.460 2.486 10 0 CEAERP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000305139247 285314133 /nfs/dbraw/zinc/31/41/33/285314133.db2.gz PNYZOGUFDSWFBA-HZPDHXFCSA-N 2 0 266.429 2.287 10 0 CEAERP C[NH2+][C@H]1CCC[C@@H]1CC[NH+]1CCC(COC)CC1 ZINC000093555496 184689670 /nfs/dbraw/zinc/68/96/70/184689670.db2.gz QQLMUCCCWXWTAF-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP COC(=O)[C@@]1([NH3+])CCC[C@H]1CC[NH+]1CCC(C)(C)CC1 ZINC000093593277 184693462 /nfs/dbraw/zinc/69/34/62/184693462.db2.gz YBWARCQZWTXBEE-XJKSGUPXSA-N 2 0 282.428 2.169 10 0 CEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCCC1 ZINC000093616144 184695908 /nfs/dbraw/zinc/69/59/08/184695908.db2.gz RYGDHAMJOGAZLI-CABCVRRESA-N 2 0 254.418 2.003 10 0 CEAERP [NH3+]CCCOC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000094072561 184753807 /nfs/dbraw/zinc/75/38/07/184753807.db2.gz ULLUPNIUCZQBOA-HNNXBMFYSA-N 2 0 274.408 2.156 10 0 CEAERP CC[C@](C)([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000094236473 184767760 /nfs/dbraw/zinc/76/77/60/184767760.db2.gz ABRPYTBBLBTGCF-INIZCTEOSA-N 2 0 295.471 2.419 10 0 CEAERP C[NH2+][C@@H]1[C@H](N2CC[C@H]([NH+]3CCCC3)C2)CCCC1(C)C ZINC000094275552 184774163 /nfs/dbraw/zinc/77/41/63/184774163.db2.gz DWCUXOJBIYIOFD-ARFHVFGLSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@@H](C[NH2+]C1CCCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094467490 184806082 /nfs/dbraw/zinc/80/60/82/184806082.db2.gz OUAVJBZWWWGRRK-GOEBONIOSA-N 2 0 265.445 2.077 10 0 CEAERP CC1(C)CCSC[C@H]1[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094484965 184809058 /nfs/dbraw/zinc/80/90/58/184809058.db2.gz YYVCAZIJLOOMTJ-CQSZACIVSA-N 2 0 286.485 2.348 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C[NH3+])CC(C)C ZINC000094696741 184841573 /nfs/dbraw/zinc/84/15/73/184841573.db2.gz JRDZTIPXAMHILT-CABCVRRESA-N 2 0 285.476 2.234 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@@]2(C)CCCC[NH2+]2)([NH+](C)C)C1 ZINC000227696628 296493496 /nfs/dbraw/zinc/49/34/96/296493496.db2.gz OCDSOJSSSXACRG-OIISXLGYSA-N 2 0 295.471 2.145 10 0 CEAERP CC[NH2+]Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)ccc1Cl ZINC000091433204 135070033 /nfs/dbraw/zinc/07/00/33/135070033.db2.gz FNLPPNJVXPZROT-GFCCVEGCSA-N 2 0 296.846 2.375 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208960 135076303 /nfs/dbraw/zinc/07/63/03/135076303.db2.gz ICNRQDPZXQLCJF-UKRRQHHQSA-N 2 0 291.826 2.365 10 0 CEAERP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000093463209 135080875 /nfs/dbraw/zinc/08/08/75/135080875.db2.gz IBJAQKHMIZMEPH-HOCLYGCPSA-N 2 0 288.439 2.171 10 0 CEAERP C[NH2+]Cc1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439994 135088018 /nfs/dbraw/zinc/08/80/18/135088018.db2.gz WRGFYQJYHUKNFA-OAHLLOKOSA-N 2 0 259.397 2.081 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccccc1CC[NH3+] ZINC000094444593 135088616 /nfs/dbraw/zinc/08/86/16/135088616.db2.gz TYBDXCPPGPJQLH-GDBMZVCRSA-N 2 0 273.424 2.251 10 0 CEAERP C[C@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449726 395253078 /nfs/dbraw/zinc/25/30/78/395253078.db2.gz OKLAYQCNADKQFT-LSDHHAIUSA-N 2 0 267.461 2.229 10 0 CEAERP O[C@@H]1CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000383358400 395186084 /nfs/dbraw/zinc/18/60/84/395186084.db2.gz DGMRTFVEGUSYAA-DOTOQJQBSA-N 2 0 280.456 2.488 10 0 CEAERP C[N@H+](CCCNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000037901317 400122242 /nfs/dbraw/zinc/12/22/42/400122242.db2.gz UDCWWAPLTSZEBD-UHFFFAOYSA-N 2 0 295.471 2.275 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000389248500 400536051 /nfs/dbraw/zinc/53/60/51/400536051.db2.gz CTRKQIDSKPPDDP-OWCLPIDISA-N 2 0 268.445 2.392 10 0 CEAERP CCc1nccn1[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178981002 165267660 /nfs/dbraw/zinc/26/76/60/165267660.db2.gz HLDSGQRSRUBJKL-HNNXBMFYSA-N 3 0 276.428 2.082 10 0 CEAERP COc1cc(CC[NH3+])cc(Cl)c1OCCC[NH+](C)C ZINC000011863170 170450348 /nfs/dbraw/zinc/45/03/48/170450348.db2.gz GPUIEKADPKTLAQ-UHFFFAOYSA-N 2 0 286.803 2.180 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(C[NH3+])c1 ZINC000022152210 171359550 /nfs/dbraw/zinc/35/95/50/171359550.db2.gz TXESFCQRZQTXGH-ZDUSSCGKSA-N 2 0 275.396 2.348 10 0 CEAERP COc1cc(C[NH2+]C(C)C)ccc1OCC[NH+](C)C ZINC000032114715 171708355 /nfs/dbraw/zinc/70/83/55/171708355.db2.gz JLBCCXPQNJBCJY-UHFFFAOYSA-N 2 0 266.385 2.134 10 0 CEAERP C[N@H+](Cc1cc(C[NH3+])ccc1F)[C@@H]1CCSC1 ZINC000035725205 172379746 /nfs/dbraw/zinc/37/97/46/172379746.db2.gz PYJGQSNYEBNNRC-GFCCVEGCSA-N 2 0 254.374 2.222 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NCC(C)(C)[NH+](C)C)C1 ZINC000037220645 173039212 /nfs/dbraw/zinc/03/92/12/173039212.db2.gz KHXZLXPDXNZXOP-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000037490791 173232599 /nfs/dbraw/zinc/23/25/99/173232599.db2.gz QCJUWAJXACVIAO-KKUMJFAQSA-N 2 0 256.434 2.390 10 0 CEAERP CC[C@@H]([NH3+])[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693937 174377643 /nfs/dbraw/zinc/37/76/43/174377643.db2.gz IQZSZAJPGLVGBO-DZGCQCFKSA-N 2 0 253.434 2.063 10 0 CEAERP C[C@@](C[NH3+])(C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693723 174377937 /nfs/dbraw/zinc/37/79/37/174377937.db2.gz NFNRIDQSMAHPRH-MRXNPFEDSA-N 2 0 265.445 2.064 10 0 CEAERP COc1ccc(C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750270 174395341 /nfs/dbraw/zinc/39/53/41/174395341.db2.gz LSPJIBKEAAYCHE-GOOCMWNKSA-N 2 0 260.381 2.458 10 0 CEAERP CC(C)[NH2+]CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388506 174705249 /nfs/dbraw/zinc/70/52/49/174705249.db2.gz NGWNKQXDJLYJMG-UHFFFAOYSA-N 3 0 255.450 2.038 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000042615824 174828672 /nfs/dbraw/zinc/82/86/72/174828672.db2.gz DBLAMXKNAULABA-INIZCTEOSA-N 2 0 297.393 2.381 10 0 CEAERP CC(C)[NH+]1CCN([C@H](c2cccs2)[C@H](C)[NH3+])CC1 ZINC000043104365 174969242 /nfs/dbraw/zinc/96/92/42/174969242.db2.gz QCMYFPWAMYAEGV-JSGCOSHPSA-N 2 0 267.442 2.162 10 0 CEAERP CC[NH+](CC)[C@H](CN[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323928 175006567 /nfs/dbraw/zinc/00/65/67/175006567.db2.gz DRKVWFFCMZRCCB-DLBZAZTESA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340028 175013741 /nfs/dbraw/zinc/01/37/41/175013741.db2.gz UYGQAYURGMTQDQ-ZBFHGGJFSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000043348525 175018624 /nfs/dbraw/zinc/01/86/24/175018624.db2.gz XAWYURZSTMNVOQ-SJORKVTESA-N 2 0 290.455 2.276 10 0 CEAERP CCC[NH+]1CCN([C@@H](c2ccc(C)o2)[C@H](C)[NH3+])CC1 ZINC000043363774 175024102 /nfs/dbraw/zinc/02/41/02/175024102.db2.gz JWNJVIJNNSONQL-DZGCQCFKSA-N 2 0 265.401 2.004 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](CC)CC1)c1ccc(C)cc1 ZINC000043805964 175108450 /nfs/dbraw/zinc/10/84/50/175108450.db2.gz LKQMDJBIIZKSQC-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CC[NH+](C)CC1 ZINC000043810670 175109688 /nfs/dbraw/zinc/10/96/88/175109688.db2.gz DQCOFEPZSZHUID-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815351 175112173 /nfs/dbraw/zinc/11/21/73/175112173.db2.gz ASIDSLZKTLAGCK-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815264 175112632 /nfs/dbraw/zinc/11/26/32/175112632.db2.gz YLQUCCQMXWAAPQ-QZTJIDSGSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818310 175113131 /nfs/dbraw/zinc/11/31/31/175113131.db2.gz ZQCAMCNAHSJPHR-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000043965434 175126557 /nfs/dbraw/zinc/12/65/57/175126557.db2.gz TWBUVPDGEUFYGA-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965467 175127248 /nfs/dbraw/zinc/12/72/48/175127248.db2.gz GZMQWUMCLDWLJS-CABCVRRESA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@H+](CCOC)Cc1cc([C@H](C)[NH2+]C)ccc1OC ZINC000043968586 175129799 /nfs/dbraw/zinc/12/97/99/175129799.db2.gz KCPDRMDUEDGXCG-ZDUSSCGKSA-N 2 0 280.412 2.444 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](Cn2c(N)[nH+]c3cc(F)ccc32)C1 ZINC000045136018 175313633 /nfs/dbraw/zinc/31/36/33/175313633.db2.gz CMWSQCZMOCZXMD-LLVKDONJSA-N 2 0 276.359 2.488 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](C)C[C@@H](C)CC ZINC000045388471 175374021 /nfs/dbraw/zinc/37/40/21/175374021.db2.gz LSQRKODXOGDZFO-ZFWWWQNUSA-N 2 0 272.433 2.415 10 0 CEAERP CCC[NH2+][C@@](C)(CO)CCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000070514170 175962937 /nfs/dbraw/zinc/96/29/37/175962937.db2.gz MJWQLCZTBZRYQL-JKSUJKDBSA-N 2 0 286.460 2.018 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000071124987 176035403 /nfs/dbraw/zinc/03/54/03/176035403.db2.gz MEXUIRHKVXDQSD-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCSc2ccccc21 ZINC000071148849 176044356 /nfs/dbraw/zinc/04/43/56/176044356.db2.gz MQQCAYDWXUNTFF-OAHLLOKOSA-N 2 0 291.464 2.061 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000071161673 176046387 /nfs/dbraw/zinc/04/63/87/176046387.db2.gz VVDXPDZVMUIMFV-HZPDHXFCSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071162213 176046599 /nfs/dbraw/zinc/04/65/99/176046599.db2.gz HTRRETKXEXMOSI-ULQDDVLXSA-N 2 0 279.472 2.454 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187911 176061717 /nfs/dbraw/zinc/06/17/17/176061717.db2.gz JQYAHXUVHKKJRQ-INMHGKMJSA-N 2 0 275.440 2.267 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071187849 176062089 /nfs/dbraw/zinc/06/20/89/176062089.db2.gz YNCLQNRWGQGTSC-INMHGKMJSA-N 2 0 275.440 2.267 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000071188453 176063065 /nfs/dbraw/zinc/06/30/65/176063065.db2.gz ILURUCSGTVNLHA-ABAIWWIYSA-N 2 0 299.821 2.362 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188890 176063338 /nfs/dbraw/zinc/06/33/38/176063338.db2.gz QEEHYHXHMLUPEX-FHLIZLRMSA-N 2 0 287.451 2.145 10 0 CEAERP Cc1ccc([C@@H](O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190634 176067524 /nfs/dbraw/zinc/06/75/24/176067524.db2.gz JCXQXWZLTWSLCL-INMHGKMJSA-N 2 0 276.424 2.300 10 0 CEAERP CC[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191452 176069751 /nfs/dbraw/zinc/06/97/51/176069751.db2.gz VAIXUOILZOIQON-MRXNPFEDSA-N 2 0 281.488 2.430 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191940 176072334 /nfs/dbraw/zinc/07/23/34/176072334.db2.gz JMMDIVPPJSNUHI-OAHLLOKOSA-N 2 0 293.455 2.409 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192326 176073489 /nfs/dbraw/zinc/07/34/89/176073489.db2.gz ZRLFHCYMNOENSY-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCN1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198134 176077027 /nfs/dbraw/zinc/07/70/27/176077027.db2.gz HPYVOWBTGSAYPM-HOCLYGCPSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)[NH2+][C@@H]1CCN(CCCC[N@H+](C)C(C)C)C1 ZINC000071200753 176077529 /nfs/dbraw/zinc/07/75/29/176077529.db2.gz YYVJFUULBRVWHN-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201179 176077711 /nfs/dbraw/zinc/07/77/11/176077711.db2.gz XSKVCNFHAKAXQD-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@@H+]1CCCN(C)CC1 ZINC000071287544 176109625 /nfs/dbraw/zinc/10/96/25/176109625.db2.gz NXPGENJOGZPYKV-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP COCC[NH+](CCCCCC[NH2+]CC(C)C)CCOC ZINC000071289699 176110302 /nfs/dbraw/zinc/11/03/02/176110302.db2.gz QYTRNTMGPIMSNZ-UHFFFAOYSA-N 2 0 288.476 2.387 10 0 CEAERP CCOC(=O)CCCCC[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000071293562 176111721 /nfs/dbraw/zinc/11/17/21/176111721.db2.gz LPSDOZZVHBQPKM-CQSZACIVSA-N 2 0 270.417 2.041 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CNC2=[NH+]C[C@H](C3CC3)S2)C1 ZINC000071307851 176116473 /nfs/dbraw/zinc/11/64/73/176116473.db2.gz ZFPPNBQBNYAZEM-WCQYABFASA-N 2 0 267.442 2.188 10 0 CEAERP CCCn1c(C[NH3+])nnc1SCC[C@H]1CCCC[N@@H+]1C ZINC000071375342 176140450 /nfs/dbraw/zinc/14/04/50/176140450.db2.gz PLAUIMWNJXXCHS-GFCCVEGCSA-N 2 0 297.472 2.113 10 0 CEAERP CC[NH+](CC)CCOc1nc2ccccc2cc1C(N)=[NH2+] ZINC000071390376 176148390 /nfs/dbraw/zinc/14/83/90/176148390.db2.gz KDGGUNGJNNBSHR-UHFFFAOYSA-N 2 0 286.379 2.239 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)cc1CC[NH3+] ZINC000071411493 176157100 /nfs/dbraw/zinc/15/71/00/176157100.db2.gz RIQLLYYWBALLOO-UHFFFAOYSA-N 2 0 250.386 2.217 10 0 CEAERP CC[NH2+]Cc1ccoc1C[NH+]1CCC(COC)CC1 ZINC000078439149 177341445 /nfs/dbraw/zinc/34/14/45/177341445.db2.gz FZROMYARLDEKNU-UHFFFAOYSA-N 2 0 266.385 2.248 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@@]1(C[NH3+])CCCC(C)(C)C1 ZINC000079980468 177591506 /nfs/dbraw/zinc/59/15/06/177591506.db2.gz QUYRFBCSDQEXGT-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000247061380 287455563 /nfs/dbraw/zinc/45/55/63/287455563.db2.gz NVLGSLSBUDJGKL-QXSJWSMHSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000667008574 419512748 /nfs/dbraw/zinc/51/27/48/419512748.db2.gz UDRRIEAOYMSWRK-YDHLFZDLSA-N 2 0 260.381 2.488 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000390529755 262207130 /nfs/dbraw/zinc/20/71/30/262207130.db2.gz LGTCYUSRVDKRHX-ROUUACIJSA-N 2 0 287.451 2.383 10 0 CEAERP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336314857 276165377 /nfs/dbraw/zinc/16/53/77/276165377.db2.gz FEKVLIHMRZZICB-HUUCEWRRSA-N 2 0 266.429 2.142 10 0 CEAERP CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000245663748 276268980 /nfs/dbraw/zinc/26/89/80/276268980.db2.gz IGPHWIWWAMIUNK-CABCVRRESA-N 2 0 283.460 2.097 10 0 CEAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151309233 278489909 /nfs/dbraw/zinc/48/99/09/278489909.db2.gz NVLGSLSBUDJGKL-KFWWJZLASA-N 2 0 268.445 2.248 10 0 CEAERP CCC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245518781 280246937 /nfs/dbraw/zinc/24/69/37/280246937.db2.gz RZZXATWOLXFRFF-CABCVRRESA-N 2 0 297.487 2.343 10 0 CEAERP C(C1CC[NH2+]CC1)[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000261965500 280532281 /nfs/dbraw/zinc/53/22/81/280532281.db2.gz PUBAPCMTJQUJAZ-UHFFFAOYSA-N 2 0 290.411 2.126 10 0 CEAERP Cc1cnn(CC[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000235468118 293002919 /nfs/dbraw/zinc/00/29/19/293002919.db2.gz SPCHNZMMKRYBJC-CABCVRRESA-N 2 0 264.417 2.092 10 0 CEAERP CCC[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[NH+](C)C ZINC000161598230 297446765 /nfs/dbraw/zinc/44/67/65/297446765.db2.gz JZWIYOMICRNMCW-MRXNPFEDSA-N 2 0 297.487 2.345 10 0 CEAERP [NH3+]C[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000536950290 330382254 /nfs/dbraw/zinc/38/22/54/330382254.db2.gz OOQGIYTXQIUYTP-OAHLLOKOSA-N 2 0 260.381 2.159 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000045700667 519617523 /nfs/dbraw/zinc/61/75/23/519617523.db2.gz ORAXJJHGWZGHRO-INIZCTEOSA-N 2 0 297.487 2.488 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711761 519720266 /nfs/dbraw/zinc/72/02/66/519720266.db2.gz OICJLWCRSTWHCH-AWEZNQCLSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075824 519726255 /nfs/dbraw/zinc/72/62/55/519726255.db2.gz OVLUGTOUBKUHKL-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CCC[N@H+](C)CC1 ZINC000052424055 519815852 /nfs/dbraw/zinc/81/58/52/519815852.db2.gz MIGRWSNJVLZKLY-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]CCC[C@H](C)[N@H+](CCCOC)CCOC ZINC000052543279 519913279 /nfs/dbraw/zinc/91/32/79/519913279.db2.gz PAVBRNBSCVKUNX-HNNXBMFYSA-N 2 0 274.449 2.140 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](C)[C@H](C)COC ZINC000052511442 519958013 /nfs/dbraw/zinc/95/80/13/519958013.db2.gz PDALUTCOJKULGD-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1cc(COCC[NH+]2CCCC2)oc1C ZINC000052670179 519991353 /nfs/dbraw/zinc/99/13/53/519991353.db2.gz NVKSIGXWTWZPHR-UHFFFAOYSA-N 2 0 266.385 2.310 10 0 CEAERP CC[NH2+]Cc1cnc(N2CC[NH+]([C@@H](C)CC)CC2)s1 ZINC000055076200 520015287 /nfs/dbraw/zinc/01/52/87/520015287.db2.gz BYXFUAWMWOWMOT-LBPRGKRZSA-N 2 0 282.457 2.173 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC([NH+](C)C)CC2)nc1CC ZINC000054997459 520033082 /nfs/dbraw/zinc/03/30/82/520033082.db2.gz IHKKVFWROZVQQV-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653579 520218143 /nfs/dbraw/zinc/21/81/43/520218143.db2.gz VBNIXYSUMGVITD-VQHPVUNQSA-N 2 0 281.488 2.427 10 0 CEAERP CCC(C)(C)N(C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000069429728 521301054 /nfs/dbraw/zinc/30/10/54/521301054.db2.gz MSYKLHSXXWGZFR-UHFFFAOYSA-N 2 0 255.450 2.309 10 0 CEAERP CCCc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH2+]C ZINC000054994910 521528882 /nfs/dbraw/zinc/52/88/82/521528882.db2.gz JVGCIJZFAVDPSE-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CCC[N@H+](CCN(C)C)Cc1cccc(C[NH2+]C)c1 ZINC000052544158 521657994 /nfs/dbraw/zinc/65/79/94/521657994.db2.gz NQPUTNLXTOUERZ-UHFFFAOYSA-N 2 0 263.429 2.180 10 0 CEAERP CCC1(C)CC[NH+](Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761947 521678261 /nfs/dbraw/zinc/67/82/61/521678261.db2.gz ILPJGHNWFMMWCO-UHFFFAOYSA-N 2 0 260.385 2.378 10 0 CEAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C[NH2+]C1CC1 ZINC000052573029 518382782 /nfs/dbraw/zinc/38/27/82/518382782.db2.gz GPKCXGAOXUPHDZ-GJZGRUSLSA-N 2 0 252.402 2.162 10 0 CEAERP C([NH2+]C1CC1)C1(CN2CC[C@@H]([NH+]3CCCC3)C2)CCCC1 ZINC000062970450 518396561 /nfs/dbraw/zinc/39/65/61/518396561.db2.gz NSXCRTGWUXIABU-QGZVFWFLSA-N 2 0 291.483 2.469 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371160 518763336 /nfs/dbraw/zinc/76/33/36/518763336.db2.gz FLJHXTGRXUWIAF-ZIAGYGMSSA-N 2 0 286.485 2.361 10 0 CEAERP CC(C)CC[NH+]1CCN(C(=O)CC[C@H]2CCCC[NH2+]2)CC1 ZINC000050947739 519653926 /nfs/dbraw/zinc/65/39/26/519653926.db2.gz CEXWCVZNUGTTNI-MRXNPFEDSA-N 2 0 295.471 2.099 10 0 CEAERP CC(C)[NH+]1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052480172 519682954 /nfs/dbraw/zinc/68/29/54/519682954.db2.gz HNBQPMDDYMJMDL-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054895661 519683833 /nfs/dbraw/zinc/68/38/33/519683833.db2.gz AEQKOUFUQMODNP-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP CC(C)C[N@H+](CCCC1CC[NH2+]CC1)CCN(C)C ZINC000050953839 519715324 /nfs/dbraw/zinc/71/53/24/519715324.db2.gz UUYAKUCBZSDZCF-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2CCCC[C@H]2CCO)CCOCC1 ZINC000052181058 519719653 /nfs/dbraw/zinc/71/96/53/519719653.db2.gz MJZIIKVOFVBLTP-INIZCTEOSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)C[NH+]1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000055085656 519723784 /nfs/dbraw/zinc/72/37/84/519723784.db2.gz MHFKHIFOIADNTJ-UHFFFAOYSA-N 2 0 295.471 2.086 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055077132 519727343 /nfs/dbraw/zinc/72/73/43/519727343.db2.gz NGJDRZHWNBGOOM-NVXWUHKLSA-N 2 0 275.440 2.349 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055077265 519727774 /nfs/dbraw/zinc/72/77/74/519727774.db2.gz FBTVFRPHGDOFKO-MRXNPFEDSA-N 2 0 279.403 2.099 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C[NH3+])c2ccsc2)CC1 ZINC000055077001 519728028 /nfs/dbraw/zinc/72/80/28/519728028.db2.gz ACBKGUKQYITYST-CQSZACIVSA-N 2 0 267.442 2.022 10 0 CEAERP CC(C)C[NH2+]CCCN1CC[NH+](C2CCCC2)CC1 ZINC000052573489 519743711 /nfs/dbraw/zinc/74/37/11/519743711.db2.gz BREHRPCUNBRPSJ-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000053033047 519744976 /nfs/dbraw/zinc/74/49/76/519744976.db2.gz GRHIYIMYJDMPIQ-INIZCTEOSA-N 2 0 267.461 2.040 10 0 CEAERP CC(C)C[NH2+]Cc1cc(N(C)CC[NH+]2CCCC2)ccn1 ZINC000063053928 519747064 /nfs/dbraw/zinc/74/70/64/519747064.db2.gz WEPGFJDDHPHYHG-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000050950232 519794342 /nfs/dbraw/zinc/79/43/42/519794342.db2.gz INIUZAINGSGGKE-HZPDHXFCSA-N 2 0 295.471 2.145 10 0 CEAERP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccco1)N1CC[NH+](C)CC1 ZINC000062771976 519816219 /nfs/dbraw/zinc/81/62/19/519816219.db2.gz CBDOSQOETUWWKQ-WBVHZDCISA-N 2 0 293.455 2.072 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c([C@H](C)[NH2+]C)s2)CC1 ZINC000054899144 519860518 /nfs/dbraw/zinc/86/05/18/519860518.db2.gz XXZXCBOXUDVCHK-NSHDSACASA-N 2 0 282.457 2.264 10 0 CEAERP CCC[NH+]1CCN(c2ncc(C[NH2+]C(C)C)s2)CC1 ZINC000054899162 519860692 /nfs/dbraw/zinc/86/06/92/519860692.db2.gz LVCKQTZHCUQBOJ-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC ZINC000054601298 519907737 /nfs/dbraw/zinc/90/77/37/519907737.db2.gz IGUJHJIJAQMBMQ-GOOCMWNKSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCC(O)CC1 ZINC000054601484 519909483 /nfs/dbraw/zinc/90/94/83/519909483.db2.gz JFAMZQAAMIANLT-OZEOOWDWSA-N 2 0 266.429 2.285 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083080 519920119 /nfs/dbraw/zinc/92/01/19/519920119.db2.gz YMNALNFGYQITHG-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+]C[C@@H](C)CN(C)C1CC[NH+](CC)CC1 ZINC000052543971 519920662 /nfs/dbraw/zinc/92/06/62/519920662.db2.gz YJAYIFSVJJZNLO-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573428 519931721 /nfs/dbraw/zinc/93/17/21/519931721.db2.gz FNHQHTUXSZAXDL-INIZCTEOSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](CC)CCOC)o1 ZINC000052542677 519948731 /nfs/dbraw/zinc/94/87/31/519948731.db2.gz RGMAKPURIYUVMR-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543923 519957933 /nfs/dbraw/zinc/95/79/33/519957933.db2.gz LXLVPRYJABZYGR-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055082561 519960318 /nfs/dbraw/zinc/96/03/18/519960318.db2.gz MBBFLDHOZFDLDZ-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](CCOC)[C@@H](C)COC)c1 ZINC000052572390 519966483 /nfs/dbraw/zinc/96/64/83/519966483.db2.gz PWUOPLNSVQVUGN-AWEZNQCLSA-N 2 0 298.427 2.263 10 0 CEAERP CC[NH2+]C[C@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC000052596938 519973500 /nfs/dbraw/zinc/97/35/00/519973500.db2.gz OMVGMJIDXSCGKL-INIZCTEOSA-N 2 0 262.397 2.448 10 0 CEAERP CCC[NH2+][C@@H](CC)CN1CC[NH+](C(C)(C)C)CC1 ZINC000050179533 519991191 /nfs/dbraw/zinc/99/11/91/519991191.db2.gz LRZSZKJVIMBPQX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062940717 520023224 /nfs/dbraw/zinc/02/32/24/520023224.db2.gz WFQFDENOTHRZFD-OAGGEKHMSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+]Cc1oc(C[N@H+](C)[C@@H](C)COC)cc1C ZINC000052512030 520027802 /nfs/dbraw/zinc/02/78/02/520027802.db2.gz DEXXETLVJCAYRU-LBPRGKRZSA-N 2 0 254.374 2.164 10 0 CEAERP CCCCC[NH2+]CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062974797 520224786 /nfs/dbraw/zinc/22/47/86/520224786.db2.gz XBKDTNQWNZMRNA-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP CC[NH2+][C@](C)(CCCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912348 520227067 /nfs/dbraw/zinc/22/70/67/520227067.db2.gz PGMDTASRSHWLLP-QGZVFWFLSA-N 2 0 289.423 2.026 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@H+](C)Cc1ccccc1C ZINC000062740899 520308059 /nfs/dbraw/zinc/30/80/59/520308059.db2.gz NSWKFDKLXIFUHB-OAHLLOKOSA-N 2 0 250.386 2.181 10 0 CEAERP CCO[C@@H](C[NH3+])C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062739456 520311710 /nfs/dbraw/zinc/31/17/10/520311710.db2.gz QPWQTLBTRPUCEI-KRWDZBQOSA-N 2 0 276.424 2.305 10 0 CEAERP CC[NH+](CC)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000052180683 520583657 /nfs/dbraw/zinc/58/36/57/520583657.db2.gz DIAKHGSPSFETDE-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH+](CC)CCO[C@H](C[NH2+]C)c1ccccc1 ZINC000052672078 520695719 /nfs/dbraw/zinc/69/57/19/520695719.db2.gz ZXTMZQURRCPVBW-OAHLLOKOSA-N 2 0 250.386 2.306 10 0 CEAERP CCC[C@@H](CN1CC[NH+]([C@H](C)CC)CC1)[NH2+]CC ZINC000055065012 520706078 /nfs/dbraw/zinc/70/60/78/520706078.db2.gz KAEXALFUDBNREW-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)CCc1ncc(C[NH2+]C(C)(C)C)cn1 ZINC000054856460 520713155 /nfs/dbraw/zinc/71/31/55/520713155.db2.gz IVGSCSBLZXTMBR-UHFFFAOYSA-N 2 0 264.417 2.249 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CC[C@H]([NH2+]C)C(C)(C)C)C1 ZINC000062970366 520872367 /nfs/dbraw/zinc/87/23/67/520872367.db2.gz GKNJUFJJHUVEQX-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055071680 520909060 /nfs/dbraw/zinc/90/90/60/520909060.db2.gz ZOXSYGJNKHPVGL-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@@](C)(C[NH2+]C1CC1)CN1CC[NH+](C2CC2)CC1 ZINC000051285105 520909698 /nfs/dbraw/zinc/90/96/98/520909698.db2.gz MAGYAFGPMUSISI-KRWDZBQOSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[C@H]([NH3+])[C@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065341 521121785 /nfs/dbraw/zinc/12/17/85/521121785.db2.gz OSEFYCUHZMBADV-KKUMJFAQSA-N 2 0 255.450 2.309 10 0 CEAERP CC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000052510635 521201889 /nfs/dbraw/zinc/20/18/89/521201889.db2.gz BYQUBRLEDCIZMP-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP CC[N@H+](C[C@H]1CCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182553 521269758 /nfs/dbraw/zinc/26/97/58/521269758.db2.gz CBTXYLPTSLTIGU-MRXNPFEDSA-N 2 0 296.455 2.036 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1ccnc(C[NH3+])c1 ZINC000068750246 521560225 /nfs/dbraw/zinc/56/02/25/521560225.db2.gz IZDZDVJGJDCJTJ-UHFFFAOYSA-N 2 0 265.401 2.177 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)[NH+](C)C ZINC000050950259 521603217 /nfs/dbraw/zinc/60/32/17/521603217.db2.gz MZFKJQZXBKLKIK-JKSUJKDBSA-N 2 0 297.487 2.391 10 0 CEAERP CCC[N@H+](CCCC1CC[NH2+]CC1)CCN(C)C ZINC000050954131 521651833 /nfs/dbraw/zinc/65/18/33/521651833.db2.gz QAQXUBBOUVQNIO-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1c(F)cccc1F ZINC000045666193 521657597 /nfs/dbraw/zinc/65/75/97/521657597.db2.gz WJZHHCLEUNEOSX-CQSZACIVSA-N 2 0 285.382 2.238 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052544102 521657795 /nfs/dbraw/zinc/65/77/95/521657795.db2.gz BMSQGHUKHOXEQN-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc(C2CC2)c(C[NH3+])s1 ZINC000069181089 521658720 /nfs/dbraw/zinc/65/87/20/521658720.db2.gz BFHOVTGJAFUJNR-UHFFFAOYSA-N 2 0 282.457 2.257 10 0 CEAERP CCC1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000062847667 521666479 /nfs/dbraw/zinc/66/64/79/521666479.db2.gz IWNSICXHRQNBSZ-OAHLLOKOSA-N 2 0 295.471 2.147 10 0 CEAERP CCC1(CC)CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000062958481 521687950 /nfs/dbraw/zinc/68/79/50/521687950.db2.gz FUQBYERKRNKZLK-KGLIPLIRSA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH+]1CCN(Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052422392 521687951 /nfs/dbraw/zinc/68/79/51/521687951.db2.gz UAMXHSPZNGUAQZ-UHFFFAOYSA-N 2 0 289.448 2.498 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+]CCCOc2ccccc2)C1 ZINC000061815694 521711073 /nfs/dbraw/zinc/71/10/73/521711073.db2.gz KNDMZMVZUKLBEY-HNNXBMFYSA-N 2 0 262.397 2.387 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1nc2ccccc2cc1C[NH3+] ZINC000061645988 521844680 /nfs/dbraw/zinc/84/46/80/521844680.db2.gz XGCQCBMKQGEMIT-HNNXBMFYSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000061642181 521870990 /nfs/dbraw/zinc/87/09/90/521870990.db2.gz RIVKFNNFSOSYSB-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000061643460 521873672 /nfs/dbraw/zinc/87/36/72/521873672.db2.gz JODMQGDULLUINX-OIISXLGYSA-N 2 0 273.424 2.027 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1ccc(Cl)cc1C(N)=[NH2+] ZINC000061644635 521874289 /nfs/dbraw/zinc/87/42/89/521874289.db2.gz JDEREVYNOZGLDK-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000061655579 521875499 /nfs/dbraw/zinc/87/54/99/521875499.db2.gz RPAALXPQSCZFCA-LLVKDONJSA-N 2 0 296.484 2.430 10 0 CEAERP C[NH2+]C(C)(C)C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000061300769 521941594 /nfs/dbraw/zinc/94/15/94/521941594.db2.gz LNBYWNWLANCFLR-UHFFFAOYSA-N 2 0 275.396 2.219 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCCC1 ZINC000052763344 521968634 /nfs/dbraw/zinc/96/86/34/521968634.db2.gz YUNZVHXHPAWTIY-AWEZNQCLSA-N 2 0 254.418 2.003 10 0 CEAERP CC[C@@H](C)C[N@@H+]1CCCN([C@@H](CC)CC[NH3+])CC1 ZINC000050424214 521988775 /nfs/dbraw/zinc/98/87/75/521988775.db2.gz CHZVYGKOEVRFKO-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP C[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](CC(C)C)CC1 ZINC000055075687 522037795 /nfs/dbraw/zinc/03/77/95/522037795.db2.gz WUHADERRWURAOB-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)CCc2ccncc2)c(C)o1 ZINC000052483158 522103080 /nfs/dbraw/zinc/10/30/80/522103080.db2.gz KJELIBSXMIUSGR-UHFFFAOYSA-N 2 0 273.380 2.377 10 0 CEAERP C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000052543583 522117575 /nfs/dbraw/zinc/11/75/75/522117575.db2.gz JQYKPCFGBRHFAR-CYBMUJFWSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CCCCCC2)CC1 ZINC000055064748 522119190 /nfs/dbraw/zinc/11/91/90/522119190.db2.gz WTBJXVDQBRGDKS-OAHLLOKOSA-N 2 0 267.461 2.454 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CC2CCCC2)CC1 ZINC000055075431 522120746 /nfs/dbraw/zinc/12/07/46/522120746.db2.gz OPFPVGFVOIYQPG-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515228 522192135 /nfs/dbraw/zinc/19/21/35/522192135.db2.gz XAMVOHTXSIBHAG-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062977285 522338961 /nfs/dbraw/zinc/33/89/61/522338961.db2.gz PYZGOQNRJSGIIT-ZOBUZTSGSA-N 2 0 290.455 2.276 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970573 522377982 /nfs/dbraw/zinc/37/79/82/522377982.db2.gz UTTIBMOASCLUSL-IXDOHACOSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1CN1CC[NH+](C(C)(C)C)CC1 ZINC000053859461 522489889 /nfs/dbraw/zinc/48/98/89/522489889.db2.gz JZXQAXBEHAILCV-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000055077237 522649703 /nfs/dbraw/zinc/64/97/03/522649703.db2.gz PTYJRLKZZNMIDR-ZBFHGGJFSA-N 2 0 279.428 2.332 10 0 CEAERP COC1CC[NH+](CC2(C[NH2+]C(C)(C)C)CCOCC2)CC1 ZINC000052181522 522701127 /nfs/dbraw/zinc/70/11/27/522701127.db2.gz WEBIYRFXPNAHFK-UHFFFAOYSA-N 2 0 298.471 2.282 10 0 CEAERP Cn1cc(C[N@H+](C)CCCC[NH2+]C(C)(C)C)cn1 ZINC000052570269 522733950 /nfs/dbraw/zinc/73/39/50/522733950.db2.gz REWPGALJBIJBMQ-UHFFFAOYSA-N 2 0 252.406 2.020 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643465 523090066 /nfs/dbraw/zinc/09/00/66/523090066.db2.gz HIVDPBNUTJSOBG-IKGGRYGDSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@H]1CC[C@@H]([NH3+])[C@H](N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000062978875 523187082 /nfs/dbraw/zinc/18/70/82/523187082.db2.gz HMYGOYLUBHRVTE-CAOSSQGBSA-N 2 0 267.461 2.309 10 0 CEAERP CN(c1ccc(C(N)=[NH2+])cc1Cl)C1CC[NH+](C)CC1 ZINC000062793940 523634342 /nfs/dbraw/zinc/63/43/42/523634342.db2.gz OQWGGYJRWUMPQR-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[N@@H+]1CCCN([C@@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810865 523810949 /nfs/dbraw/zinc/81/09/49/523810949.db2.gz UAKONFQAYDHUBT-AWEZNQCLSA-N 2 0 273.380 2.070 10 0 CEAERP C[N@@H+]1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054968944 523813542 /nfs/dbraw/zinc/81/35/42/523813542.db2.gz SECHPNLHMHQHSM-UHFFFAOYSA-N 2 0 282.457 2.041 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052547326 523938862 /nfs/dbraw/zinc/93/88/62/523938862.db2.gz JXUINTKVWXTPLD-ZDUSSCGKSA-N 2 0 283.416 2.420 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCCC(C)C)CC1 ZINC000055075464 523954252 /nfs/dbraw/zinc/95/42/52/523954252.db2.gz RQQMTJQUZFAGJJ-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075040 523954491 /nfs/dbraw/zinc/95/44/91/523954491.db2.gz DNRTZTORFGKRNM-HNNXBMFYSA-N 2 0 295.496 2.296 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000055063843 523958466 /nfs/dbraw/zinc/95/84/66/523958466.db2.gz WPEGHSZIVUIXQY-STQMWFEESA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064564 523958647 /nfs/dbraw/zinc/95/86/47/523958647.db2.gz FDNWQTFRSBTKRO-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)C[NH2+]CCC(C)C)CC1 ZINC000055075306 523958900 /nfs/dbraw/zinc/95/89/00/523958900.db2.gz WPSJMOMMQRZBHS-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc(C[NH2+]C)cc2Cl)CC1 ZINC000055073413 523962276 /nfs/dbraw/zinc/96/22/76/523962276.db2.gz KIYHJGPTUNHWJT-LBPRGKRZSA-N 2 0 296.846 2.375 10 0 CEAERP CC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075903 524003397 /nfs/dbraw/zinc/00/33/97/524003397.db2.gz CYKROUVJHSLXJH-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H](CCC[NH3+])[NH+]1CCN(c2ccccc2F)CC1 ZINC000052374727 524139668 /nfs/dbraw/zinc/13/96/68/524139668.db2.gz TYPUFDFHFFGNEA-CYBMUJFWSA-N 2 0 265.376 2.075 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)OCC[C@H]1CCC[N@@H+]1C ZINC000052673546 524142520 /nfs/dbraw/zinc/14/25/20/524142520.db2.gz PHENOPYGHUDDPT-UKRRQHHQSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H]1CCC[C@@](CN)([NH+]2CCC(C[NH+](C)C)CC2)[C@@H]1C ZINC000068628366 524336725 /nfs/dbraw/zinc/33/67/25/524336725.db2.gz WCYWLBQWWHPOJA-INMHGKMJSA-N 2 0 281.488 2.414 10 0 CEAERP C[C@H](C[NH2+]C1CCCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062974546 524482522 /nfs/dbraw/zinc/48/25/22/524482522.db2.gz YDUNBTSEJQSAAL-ZBFHGGJFSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@H]1C[N@H+](CCCCC[NH2+]C2CC2)CC(C)(C)O1 ZINC000052543578 524588341 /nfs/dbraw/zinc/58/83/41/524588341.db2.gz HEJGQRMVVPHOLR-ZDUSSCGKSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@H]([NH3+])c1ccc(OCC[NH+](C)C)c(Br)c1 ZINC000061699559 524866825 /nfs/dbraw/zinc/86/68/25/524866825.db2.gz NDLNURUUBZJEOU-VIFPVBQESA-N 2 0 287.201 2.409 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684849 525766241 /nfs/dbraw/zinc/76/62/41/525766241.db2.gz FFYVNILILIJHOV-YOEHRIQHSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641913 525785913 /nfs/dbraw/zinc/78/59/13/525785913.db2.gz KZQZKWCBCAFNKA-USXIJHARSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062964036 525890736 /nfs/dbraw/zinc/89/07/36/525890736.db2.gz FOQZPGUKUDYOFB-AVGNSLFASA-N 2 0 267.442 2.081 10 0 CEAERP O[C@]12CCCC[C@@H]1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161612737 526322491 /nfs/dbraw/zinc/32/24/91/526322491.db2.gz DIGTZKNKIZILCP-SJORKVTESA-N 2 0 280.456 2.489 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1COCC[NH+](C)C ZINC000052669896 526775170 /nfs/dbraw/zinc/77/51/70/526775170.db2.gz FWDMGOIHXNBXAH-UHFFFAOYSA-N 2 0 254.374 2.164 10 0 CEAERP NC(=[NH2+])C[C@@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000055023262 526816635 /nfs/dbraw/zinc/81/66/35/526816635.db2.gz DZXZXUNKVOPMAX-INIZCTEOSA-N 2 0 286.423 2.081 10 0 CEAERP [NH3+]CC1(N2CC[NH+](C3CC3)CC2)CCCCCCC1 ZINC000048991867 527163416 /nfs/dbraw/zinc/16/34/16/527163416.db2.gz VXRGWKPTYPEGGB-UHFFFAOYSA-N 2 0 265.445 2.208 10 0 CEAERP [NH3+]CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055017726 527190606 /nfs/dbraw/zinc/19/06/06/527190606.db2.gz AMSZNBBBNSZFND-CVEARBPZSA-N 2 0 262.397 2.313 10 0 CEAERP [NH3+]Cc1ccc(F)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000062978141 527254589 /nfs/dbraw/zinc/25/45/89/527254589.db2.gz SEJRTNMFTOEHHR-INIZCTEOSA-N 2 0 291.414 2.345 10 0 CEAERP [NH3+]Cc1ccoc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484208 527262091 /nfs/dbraw/zinc/26/20/91/527262091.db2.gz XCVWMGRFYCSCIL-UHFFFAOYSA-N 2 0 277.412 2.189 10 0 CEAERP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757217706 574513427 /nfs/dbraw/zinc/51/34/27/574513427.db2.gz SACDGQRTELKFCD-SEMCEJNYSA-N 2 0 252.383 2.195 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250978761 641557247 /nfs/dbraw/zinc/55/72/47/641557247.db2.gz BCNGRVUWEZIURC-OXGONZEZSA-N 2 0 266.429 2.048 10 0 CEAERP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847621 652735322 /nfs/dbraw/zinc/73/53/22/652735322.db2.gz UTOCBQHCPAXJMO-MSOLQXFVSA-N 2 0 287.451 2.383 10 0 CEAERP CCCc1nc(CC[NH+](CC)CC)sc1C[NH3+] ZINC000082428850 178005620 /nfs/dbraw/zinc/00/56/20/178005620.db2.gz JLUMGKDAKYTMOF-UHFFFAOYSA-N 2 0 255.431 2.439 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)n1cncc1CC[NH3+] ZINC000097009314 185151712 /nfs/dbraw/zinc/15/17/12/185151712.db2.gz UHFRNXGFGRNNHL-ZDUSSCGKSA-N 2 0 252.406 2.067 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000261595555 539185470 /nfs/dbraw/zinc/18/54/70/539185470.db2.gz OGWXFPJXXIFMDJ-ZNMIVQPWSA-N 2 0 260.381 2.173 10 0 CEAERP COCc1ccc([C@@H](C[NH3+])CC[NH2+]C(C)C)cc1 ZINC000725263523 539212408 /nfs/dbraw/zinc/21/24/08/539212408.db2.gz NFDVXMCGDQPGDP-OAHLLOKOSA-N 2 0 250.386 2.263 10 0 CEAERP CC1(C)CC[NH+]([C@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264625 539212813 /nfs/dbraw/zinc/21/28/13/539212813.db2.gz YRLGSMRWYVREDV-STQMWFEESA-N 2 0 252.402 2.005 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700561 365764949 /nfs/dbraw/zinc/76/49/49/365764949.db2.gz DXSZODMUZRUEHA-KRWDZBQOSA-N 2 0 288.435 2.355 10 0 CEAERP C[C@@H]1CN(CCCOc2ccc(Cl)cc2)C[C@@H]1[NH3+] ZINC000235363199 344590242 /nfs/dbraw/zinc/59/02/42/344590242.db2.gz OSYQOEHKLMLQCU-RISCZKNCSA-N 2 0 268.788 2.388 10 0 CEAERP C[C@@H]1CC([NH+]2CCN(CCCC[NH3+])CC2)C[C@@H](C)C1 ZINC000084948119 178933112 /nfs/dbraw/zinc/93/31/12/178933112.db2.gz OEQRQDYIWMUBKE-GJZGRUSLSA-N 2 0 267.461 2.168 10 0 CEAERP [NH3+]C[C@@](O)(C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000085302781 179010797 /nfs/dbraw/zinc/01/07/97/179010797.db2.gz QHWAXQQBOVPCAK-MRXNPFEDSA-N 2 0 266.429 2.133 10 0 CEAERP CCC1CCC([N@H+](C)CCC[C@@](C)(O)C[NH3+])CC1 ZINC000085301591 179010261 /nfs/dbraw/zinc/01/02/61/179010261.db2.gz MCWTXJFMIHFONO-YMAMQOFZSA-N 2 0 256.434 2.377 10 0 CEAERP [NH3+][C@H]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000085360988 179032783 /nfs/dbraw/zinc/03/27/83/179032783.db2.gz YXPICWMXHZBYCF-HOTGVXAUSA-N 2 0 287.407 2.348 10 0 CEAERP Cc1csc(CC[NH2+]C[C@@H]2CCCC[C@@H]2[NH3+])n1 ZINC000085376864 179044455 /nfs/dbraw/zinc/04/44/55/179044455.db2.gz CYBLPMBIYUNXIH-RYUDHWBXSA-N 2 0 253.415 2.101 10 0 CEAERP CC(C)CO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1(C)C ZINC000085400651 179052042 /nfs/dbraw/zinc/05/20/42/179052042.db2.gz JONBWYBHFHGVQB-ZNMIVQPWSA-N 2 0 268.445 2.367 10 0 CEAERP CC(C)c1nc2c(n1[C@@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573174 179097966 /nfs/dbraw/zinc/09/79/66/179097966.db2.gz HACKWNHATSUCAT-HNNXBMFYSA-N 2 0 278.444 2.411 10 0 CEAERP CC(C)c1nc2c(n1C[C@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572510 179097196 /nfs/dbraw/zinc/09/71/96/179097196.db2.gz JDHQRUBPJSVIGW-AWEZNQCLSA-N 2 0 290.455 2.383 10 0 CEAERP CCCc1nc2c(n1[C@@H](C)C[NH+](CC)CC)CC[NH2+]C2 ZINC000085573200 179098497 /nfs/dbraw/zinc/09/84/97/179098497.db2.gz ZUXNWYQGRLTKNS-ZDUSSCGKSA-N 2 0 278.444 2.384 10 0 CEAERP C[C@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623751 179107324 /nfs/dbraw/zinc/10/73/24/179107324.db2.gz ULGMVSAUZLESPU-BPUTZDHNSA-N 2 0 266.429 2.408 10 0 CEAERP C(C1CCOCC1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610588 179101614 /nfs/dbraw/zinc/10/16/14/179101614.db2.gz QKIVRTIDCHKREJ-UHFFFAOYSA-N 2 0 266.429 2.411 10 0 CEAERP CCOCC[N@@H+]1CC2(CCCCC2)[NH2+]CC[C@H]1C ZINC000085620774 179105496 /nfs/dbraw/zinc/10/54/96/179105496.db2.gz NJTGGCGECGTCQT-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1CCN[C@H](C(C)(C)C)C1 ZINC000086146736 179239957 /nfs/dbraw/zinc/23/99/57/179239957.db2.gz MZAJNPPQNOLNLI-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086171816 179243565 /nfs/dbraw/zinc/24/35/65/179243565.db2.gz RYZZYLFADAFVNL-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086171815 179243724 /nfs/dbraw/zinc/24/37/24/179243724.db2.gz RYZZYLFADAFVNL-BZUAXINKSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)CC1 ZINC000086173182 179244918 /nfs/dbraw/zinc/24/49/18/179244918.db2.gz JNPUPRRQPVLOIZ-GDBMZVCRSA-N 2 0 267.461 2.179 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086145827 179238885 /nfs/dbraw/zinc/23/88/85/179238885.db2.gz LPQWWWAEMUEAFE-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182727 179248146 /nfs/dbraw/zinc/24/81/46/179248146.db2.gz WDEUUCCBASSKTH-BRWVUGGUSA-N 2 0 279.472 2.179 10 0 CEAERP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1CCC[NH+](C)C ZINC000086217748 179249822 /nfs/dbraw/zinc/24/98/22/179249822.db2.gz KDSDVBJJHMXMNZ-DOTOQJQBSA-N 2 0 275.440 2.147 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223015 179250377 /nfs/dbraw/zinc/25/03/77/179250377.db2.gz AWFHLZPDJFJBRU-OWCLPIDISA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223174 179252465 /nfs/dbraw/zinc/25/24/65/179252465.db2.gz JLGOWXVRPQLKJI-OWCLPIDISA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223939 179253101 /nfs/dbraw/zinc/25/31/01/179253101.db2.gz FIARODJHDJJYLD-ZNMIVQPWSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223928 179253413 /nfs/dbraw/zinc/25/34/13/179253413.db2.gz RKFLLCXJWZUYFO-IKGGRYGDSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@]1(C)CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086227537 179254241 /nfs/dbraw/zinc/25/42/41/179254241.db2.gz YIFTVOUAXUVPNN-JYJNAYRXSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227529 179254552 /nfs/dbraw/zinc/25/45/52/179254552.db2.gz FNQOMLCQGUKKOC-CWRNSKLLSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182649 179247769 /nfs/dbraw/zinc/24/77/69/179247769.db2.gz XCOLGXQKTJJTEF-JKSUJKDBSA-N 2 0 277.456 2.077 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259254 179258805 /nfs/dbraw/zinc/25/88/05/179258805.db2.gz HYNWJZRMDACYCO-CVEARBPZSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@@H](C3CCCCC3)C2)CC1 ZINC000086286991 179264303 /nfs/dbraw/zinc/26/43/03/179264303.db2.gz ZTADPMZIIODPGX-QGZVFWFLSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]([C@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086287096 179264655 /nfs/dbraw/zinc/26/46/55/179264655.db2.gz BGLWGTDPGPQTDL-UONOGXRCSA-N 2 0 252.402 2.162 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255872 179257286 /nfs/dbraw/zinc/25/72/86/179257286.db2.gz PKAZJXJEENDGQO-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP C1CC1[N@@H+]1CC[C@@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291906 179266920 /nfs/dbraw/zinc/26/69/20/179266920.db2.gz SSUKSICNPNMOFP-MRXNPFEDSA-N 2 0 277.456 2.221 10 0 CEAERP CCC[C@H](COC)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086299572 179269074 /nfs/dbraw/zinc/26/90/74/179269074.db2.gz JYGSKEDWZPQRFN-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)s2)C1 ZINC000086399468 179285203 /nfs/dbraw/zinc/28/52/03/179285203.db2.gz DZSXYUSCIVQEEB-SFYZADRCSA-N 2 0 275.215 2.480 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N(C)CC[NH+]3CCCC3)nc21 ZINC000086444100 179293756 /nfs/dbraw/zinc/29/37/56/179293756.db2.gz GTOKDHKYPSEANB-GFCCVEGCSA-N 2 0 294.468 2.272 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NC1=[NH+]C[C@H](C)CS1 ZINC000086632838 179315023 /nfs/dbraw/zinc/31/50/23/179315023.db2.gz GAGFGXSZUBVBMV-NWDGAFQWSA-N 2 0 255.431 2.189 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000086835471 179349712 /nfs/dbraw/zinc/34/97/12/179349712.db2.gz ZXQJGLDXFUGEEQ-NFOMZHRRSA-N 2 0 254.418 2.142 10 0 CEAERP CC(C)C[C@@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817431 179344818 /nfs/dbraw/zinc/34/48/18/179344818.db2.gz VLRHFEFXGQSLJQ-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817427 179345041 /nfs/dbraw/zinc/34/50/41/179345041.db2.gz ZFFULUFZEJUXAG-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCC[NH+](CC)CC)CC1 ZINC000086835493 179349653 /nfs/dbraw/zinc/34/96/53/179349653.db2.gz SBUWSRCMFBRLNO-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846965 179356431 /nfs/dbraw/zinc/35/64/31/179356431.db2.gz NLJOORUQWZHPDJ-MRXNPFEDSA-N 2 0 279.428 2.303 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848649 179356743 /nfs/dbraw/zinc/35/67/43/179356743.db2.gz QBXNQXSORLOODG-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2C)CC1 ZINC000086847610 179356975 /nfs/dbraw/zinc/35/69/75/179356975.db2.gz KUCRIFHMKPSLQX-INIZCTEOSA-N 2 0 279.428 2.223 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843731 179352448 /nfs/dbraw/zinc/35/24/48/179352448.db2.gz DYYAQKIZTXVSJY-HNNXBMFYSA-N 3 0 255.450 2.182 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000086842306 179352967 /nfs/dbraw/zinc/35/29/67/179352967.db2.gz WBTBHNFSMSARNT-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086842819 179353402 /nfs/dbraw/zinc/35/34/02/179353402.db2.gz JWCMKZTVKGUDAU-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000086840828 179353546 /nfs/dbraw/zinc/35/35/46/179353546.db2.gz SCVLERSBRAWUSL-JKSUJKDBSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC2CC[NH+](CC)CC2)CC1 ZINC000086842261 179353761 /nfs/dbraw/zinc/35/37/61/179353761.db2.gz SJAKQFLXSMEDLD-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845063 179354354 /nfs/dbraw/zinc/35/43/54/179354354.db2.gz PECDTEZERZGLBR-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848955 179358663 /nfs/dbraw/zinc/35/86/63/179358663.db2.gz NVFSTXXYLBCYTH-MRXNPFEDSA-N 2 0 265.445 2.064 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000086891435 179366434 /nfs/dbraw/zinc/36/64/34/179366434.db2.gz LBSVYUQUJUJJHS-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](CC)CC2)CC1 ZINC000086910430 179367404 /nfs/dbraw/zinc/36/74/04/179367404.db2.gz CCOYOQGYSIZWRG-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C)C2)CC1 ZINC000087048523 179387966 /nfs/dbraw/zinc/38/79/66/179387966.db2.gz VRHPXDFCKOEKME-GOEBONIOSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@@H]([NH2+]CC1(O)CCC(C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000087045141 179388003 /nfs/dbraw/zinc/38/80/03/179388003.db2.gz JTTCUVWSLGWFPA-FYRZTWFESA-N 2 0 268.445 2.248 10 0 CEAERP CCC1CCC(O)(C[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000087066057 179389855 /nfs/dbraw/zinc/38/98/55/179389855.db2.gz RHGLXXSWDMVRRD-UHFFFAOYSA-N 2 0 268.445 2.393 10 0 CEAERP CCC(CC)[C@H](CN[C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922946 187398886 /nfs/dbraw/zinc/39/88/86/187398886.db2.gz STOMTOODRCHJHU-GJZGRUSLSA-N 2 0 255.450 2.085 10 0 CEAERP CC(C)[NH2+]CC1(CN(C)CC[NH+](C)C)CCCC1 ZINC000104189018 185922324 /nfs/dbraw/zinc/92/23/24/185922324.db2.gz BZFBNIDQBULAHQ-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400514773 233179435 /nfs/dbraw/zinc/17/94/35/233179435.db2.gz MSNGGJAWHOBMSO-INMHGKMJSA-N 2 0 275.440 2.095 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400335270 233176533 /nfs/dbraw/zinc/17/65/33/233176533.db2.gz DARCQEMPPFRNIQ-GXTWGEPZSA-N 2 0 250.361 2.264 10 0 CEAERP Cc1csc(CC[NH2+]C[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089402808 179781703 /nfs/dbraw/zinc/78/17/03/179781703.db2.gz VTUKQKADEZRSBT-STQMWFEESA-N 2 0 267.442 2.349 10 0 CEAERP CCC[C@@]1(C[NH2+]CCc2cscn2)CCC[NH2+]C1 ZINC000104446334 186005011 /nfs/dbraw/zinc/00/50/11/186005011.db2.gz SGJCOVVIMCMQAG-CQSZACIVSA-N 2 0 267.442 2.445 10 0 CEAERP CC(C)C[N@H+](CCC[NH3+])C[C@H]1Cc2ccccc2O1 ZINC000090874018 180050147 /nfs/dbraw/zinc/05/01/47/180050147.db2.gz UJITYALUOVVUGU-OAHLLOKOSA-N 2 0 262.397 2.297 10 0 CEAERP c1ccc2c(c1)C[C@H](C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)O2 ZINC000090876242 180050571 /nfs/dbraw/zinc/05/05/71/180050571.db2.gz YGMYKWXHIFLLKS-SJORKVTESA-N 2 0 286.419 2.454 10 0 CEAERP [NH3+][C@@H](CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccccc1 ZINC000090908652 180062245 /nfs/dbraw/zinc/06/22/45/180062245.db2.gz WLMLINYWSQIJGT-XHSDSOJGSA-N 2 0 260.381 2.330 10 0 CEAERP C[C@H](C[NH2+]Cc1sccc1N)C[NH+]1CCCC1 ZINC000090960675 180076455 /nfs/dbraw/zinc/07/64/55/180076455.db2.gz FXPQBAZNLJTERU-LLVKDONJSA-N 2 0 253.415 2.152 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3ncccc23)C1 ZINC000091017524 180086995 /nfs/dbraw/zinc/08/69/95/180086995.db2.gz HKPHPZXKNYNPOB-ZDUSSCGKSA-N 2 0 272.396 2.383 10 0 CEAERP CC(C)(C)NC(=O)C[C@@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000091321603 180134571 /nfs/dbraw/zinc/13/45/71/180134571.db2.gz UWQRDVMPKBLEMC-AWEZNQCLSA-N 2 0 295.471 2.275 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427926 180153034 /nfs/dbraw/zinc/15/30/34/180153034.db2.gz DARITTBXYQOABG-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091433215 180153696 /nfs/dbraw/zinc/15/36/96/180153696.db2.gz OLFKAXSTPQXVNW-HOTGVXAUSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091450377 180158039 /nfs/dbraw/zinc/15/80/39/180158039.db2.gz UIRCZXXLYDOOON-CYBMUJFWSA-N 2 0 296.484 2.419 10 0 CEAERP CCC[NH2+]CC[C@](C)(O)Cc1[nH+]cc(C)c(OC)c1C ZINC000091467777 180164280 /nfs/dbraw/zinc/16/42/80/180164280.db2.gz AJTYNAFSMGOKBH-INIZCTEOSA-N 2 0 280.412 2.390 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1C[N@H+](C)CC1CC(O)C1 ZINC000091499464 180173655 /nfs/dbraw/zinc/17/36/55/180173655.db2.gz HYNOZFBERFDQPV-BHDPWAOGSA-N 2 0 268.445 2.248 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1C ZINC000091392535 180145049 /nfs/dbraw/zinc/14/50/49/180145049.db2.gz JTEUMNQBHKYIAK-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091393394 180145457 /nfs/dbraw/zinc/14/54/57/180145457.db2.gz WCHOAKKGTIKECI-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C(=O)CC[C@@H](CC[NH3+])C(C)(C)C)C1 ZINC000091393713 180145840 /nfs/dbraw/zinc/14/58/40/180145840.db2.gz IEFBYBIYTPJYLN-LSDHHAIUSA-N 2 0 297.487 2.330 10 0 CEAERP COc1ccc(C)cc1[C@@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395498 180146176 /nfs/dbraw/zinc/14/61/76/180146176.db2.gz YRDWLKUCFZXXAR-HOCLYGCPSA-N 2 0 291.439 2.029 10 0 CEAERP C[NH+](C)[C@H]1CCCN(C2(C[NH3+])CCCCCC2)C1 ZINC000091394916 180146292 /nfs/dbraw/zinc/14/62/92/180146292.db2.gz VZKCJQKXKQBBPO-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091395761 180146613 /nfs/dbraw/zinc/14/66/13/180146613.db2.gz HHOBHQPKYZPWTI-JKSUJKDBSA-N 2 0 261.413 2.021 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C2(C[NH3+])CCCCCC2)C1 ZINC000091394915 180146655 /nfs/dbraw/zinc/14/66/55/180146655.db2.gz VZKCJQKXKQBBPO-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000091405041 180147343 /nfs/dbraw/zinc/14/73/43/180147343.db2.gz JIEZBRPFJHGLQZ-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091563840 180192836 /nfs/dbraw/zinc/19/28/36/180192836.db2.gz GCOPJGSDQYLYSB-UHFFFAOYSA-N 2 0 261.369 2.040 10 0 CEAERP CC[C@](C)([C@@H](O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608560 180205291 /nfs/dbraw/zinc/20/52/91/180205291.db2.gz CGTKBMWBUZIQIS-JKSUJKDBSA-N 2 0 277.412 2.222 10 0 CEAERP C[NH+](C)C(C)(C)[C@@H]([NH3+])CCc1ccc2c(c1)CCO2 ZINC000091528404 180179779 /nfs/dbraw/zinc/17/97/79/180179779.db2.gz HVXXUZHYSYBMNS-HNNXBMFYSA-N 2 0 262.397 2.222 10 0 CEAERP C[NH2+][C@H](CC1CCOCC1)C(C)(C)[NH+]1CCCC1 ZINC000091534634 180181511 /nfs/dbraw/zinc/18/15/11/180181511.db2.gz LYMXDRGMJSCAQK-CQSZACIVSA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000091548009 180187525 /nfs/dbraw/zinc/18/75/25/180187525.db2.gz VHIRHOIOLYSXDK-CABCVRRESA-N 2 0 287.407 2.348 10 0 CEAERP Nc1cc[nH+]cc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641644 180213269 /nfs/dbraw/zinc/21/32/69/180213269.db2.gz RHCWLMSSBLACMD-INIZCTEOSA-N 2 0 289.423 2.366 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1ccccc1OC ZINC000091715948 180231985 /nfs/dbraw/zinc/23/19/85/180231985.db2.gz UTWUNGTYTIHRFV-AWEZNQCLSA-N 2 0 250.386 2.297 10 0 CEAERP CC[NH2+][C@H](CC[NH+](CC)CC)Cc1ncnn1C(C)C ZINC000091716701 180232252 /nfs/dbraw/zinc/23/22/52/180232252.db2.gz VYBSFMHUTRBRLX-CQSZACIVSA-N 2 0 281.448 2.112 10 0 CEAERP CC[N@H+]([C@@H](C)C(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091850638 180272467 /nfs/dbraw/zinc/27/24/67/180272467.db2.gz NFCZYDVZPPLSAK-NFOMZHRRSA-N 2 0 283.460 2.129 10 0 CEAERP CCC[N@H+]([C@@H](C)C(=O)NCC(C)C)C1CCC([NH3+])CC1 ZINC000091852557 180273122 /nfs/dbraw/zinc/27/31/22/180273122.db2.gz UVQLUFLWVIFCPO-NFOMZHRRSA-N 2 0 283.460 2.129 10 0 CEAERP CC[C@@H]([NH3+])c1ccn(C[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000091816430 180261787 /nfs/dbraw/zinc/26/17/87/180261787.db2.gz NMHRGXUJUSDFCY-LSDHHAIUSA-N 2 0 265.401 2.007 10 0 CEAERP C[N@H+]([C@@H]1COc2cc(O)ccc21)C1CCC([NH3+])CC1 ZINC000091843752 180268823 /nfs/dbraw/zinc/26/88/23/180268823.db2.gz HOFHJGYEYRFIAK-QIMFLAQGSA-N 2 0 262.353 2.027 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844604 180269246 /nfs/dbraw/zinc/26/92/46/180269246.db2.gz FWCOIGQPNOONHE-SLTAFYQDSA-N 3 0 253.434 2.063 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@H](O)c2ccccc2)CC1 ZINC000091870676 180277054 /nfs/dbraw/zinc/27/70/54/180277054.db2.gz FSJWGNTYBLMJCG-GPANFISMSA-N 2 0 262.397 2.182 10 0 CEAERP CCCn1cncc1C[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091870965 180277411 /nfs/dbraw/zinc/27/74/11/180277411.db2.gz WXKIXBBCOKOMRI-UHFFFAOYSA-N 2 0 264.417 2.256 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CCc2ccccn2)CC1 ZINC000091870337 180277516 /nfs/dbraw/zinc/27/75/16/180277516.db2.gz QJDXANDMXNOQPG-UHFFFAOYSA-N 2 0 261.413 2.477 10 0 CEAERP CC[C@H]1CC[C@](C[NH3+])(C2(O)CC[NH+](C(C)C)CC2)C1 ZINC000091906418 180284348 /nfs/dbraw/zinc/28/43/48/180284348.db2.gz JSFXOZWHFLKMAI-GJZGRUSLSA-N 2 0 268.445 2.377 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000091996220 180301798 /nfs/dbraw/zinc/30/17/98/180301798.db2.gz WZXQEFYWAWIQQC-UKRRQHHQSA-N 2 0 277.412 2.435 10 0 CEAERP C[C@H](CC(N)=[NH2+])[N@H+](C)C[C@@H]1Cc2ccccc2S1 ZINC000092262342 180354766 /nfs/dbraw/zinc/35/47/66/180354766.db2.gz NQXDDBRPFHTRFJ-PWSUYJOCSA-N 2 0 263.410 2.350 10 0 CEAERP CC[NH+](CC)CCc1noc([C@@H](C(C)C)[C@@H](C)[NH2+]C)n1 ZINC000109496309 186256459 /nfs/dbraw/zinc/25/64/59/186256459.db2.gz NAVIUJNMXOSSIJ-OCCSQVGLSA-N 2 0 282.432 2.301 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496301 186256906 /nfs/dbraw/zinc/25/69/06/186256906.db2.gz POJCYJWCCLPNCI-CHWSQXEVSA-N 2 0 282.432 2.446 10 0 CEAERP CCC[NH2+][C@@H]1c2ccc(OCCC[NH+](C)C)cc2NC1=O ZINC000109576312 186264223 /nfs/dbraw/zinc/26/42/23/186264223.db2.gz SEMIXIWRAQRTGS-OAHLLOKOSA-N 2 0 291.395 2.010 10 0 CEAERP C[NH+]1CCC(Oc2cc(C[NH3+])nc3ccccc32)CC1 ZINC000109589927 186265232 /nfs/dbraw/zinc/26/52/32/186265232.db2.gz LZXOKBDJNXWUGF-UHFFFAOYSA-N 2 0 271.364 2.167 10 0 CEAERP CCc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1C[NH2+]C ZINC000110275662 186289292 /nfs/dbraw/zinc/28/92/92/186289292.db2.gz ORJFTTIKLGLQSN-LBPRGKRZSA-N 2 0 294.468 2.099 10 0 CEAERP C[NH2+]Cc1sc(N2CC[C@H]([NH+]3CCCCC3)C2)nc1C ZINC000110275728 186289472 /nfs/dbraw/zinc/28/94/72/186289472.db2.gz ACQRZVKYVJEAGX-ZDUSSCGKSA-N 2 0 294.468 2.236 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cc(C)cc(C)c2)C[C@@H]1C ZINC000110708590 186313836 /nfs/dbraw/zinc/31/38/36/186313836.db2.gz SNSCEKCHXWAKDC-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@@H]1CN([C@@H](c2cccc(F)c2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110704202 186314121 /nfs/dbraw/zinc/31/41/21/186314121.db2.gz LNXFRXJHETXRIX-DAXOMENPSA-N 2 0 279.403 2.240 10 0 CEAERP CCOc1ccccc1[C@@H]([NH3+])CN1CC[N@H+](C)[C@@H](CC)C1 ZINC000110715378 186315368 /nfs/dbraw/zinc/31/53/68/186315368.db2.gz CXHDHCOFYWTITF-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CC[N@@H+]1CCN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])C[C@@H]1C ZINC000110714388 186315746 /nfs/dbraw/zinc/31/57/46/186315746.db2.gz FVXCMEIAYHWXPZ-QGTPRVQTSA-N 2 0 287.451 2.417 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(SC)cc2)CC[N@@H+]1C ZINC000110711183 186315952 /nfs/dbraw/zinc/31/59/52/186315952.db2.gz DDSKHRLZKGKGOH-ZBFHGGJFSA-N 2 0 293.480 2.434 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CC[N@@H+]1C ZINC000110710126 186316215 /nfs/dbraw/zinc/31/62/15/186316215.db2.gz GQQZLPQTRJLBBA-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000110711659 186316239 /nfs/dbraw/zinc/31/62/39/186316239.db2.gz ICOKAIXEGUKUTK-HNNXBMFYSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCN1C ZINC000110751015 186319782 /nfs/dbraw/zinc/31/97/82/186319782.db2.gz ORMGLHCIZDKNQG-LBPRGKRZSA-N 2 0 289.448 2.496 10 0 CEAERP CC[C@H]1C[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)CCN1C ZINC000110753771 186319989 /nfs/dbraw/zinc/31/99/89/186319989.db2.gz ZVHLXTVIMFCOIR-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H]1CN(Cc2csc(C[NH2+]C(C)(C)C)n2)CC[N@@H+]1C ZINC000110751727 186320483 /nfs/dbraw/zinc/32/04/83/186320483.db2.gz WURSLYQLYDRLET-LBPRGKRZSA-N 2 0 296.484 2.167 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](CC)CCOCC ZINC000111123785 186355272 /nfs/dbraw/zinc/35/52/72/186355272.db2.gz YONUJHDWRXJDJI-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CCOCC[N@H+](CC)Cc1cccc(C[NH2+]C)c1 ZINC000111123803 186355524 /nfs/dbraw/zinc/35/55/24/186355524.db2.gz CTNGAPJDPQRHOS-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)CC[NH+](C)C ZINC000111129486 186356193 /nfs/dbraw/zinc/35/61/93/186356193.db2.gz MVRHGQIVDRWRCQ-DGCLKSJQSA-N 2 0 255.431 2.020 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(C)CC[NH+](C)C ZINC000111129639 186356447 /nfs/dbraw/zinc/35/64/47/186356447.db2.gz CVAQNIWYKYUNPK-HOTGVXAUSA-N 2 0 263.429 2.267 10 0 CEAERP C[C@H](C[C@@H](C[NH3+])N(C)CC[NH+](C)C)c1ccccc1 ZINC000111132942 186356460 /nfs/dbraw/zinc/35/64/60/186356460.db2.gz VLGJJNFLIHZGHL-ZBFHGGJFSA-N 2 0 263.429 2.001 10 0 CEAERP Cc1cc(C)c([C@H](C[NH3+])N(C)CC[NH+](C)C)c(C)c1 ZINC000111132971 186356511 /nfs/dbraw/zinc/35/65/11/186356511.db2.gz CGPYNDNPNOELMA-HNNXBMFYSA-N 2 0 263.429 2.105 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)c(C)s1 ZINC000111133319 186356664 /nfs/dbraw/zinc/35/66/64/186356664.db2.gz BUBCMYHYZQHVDR-CQSZACIVSA-N 2 0 269.458 2.248 10 0 CEAERP CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](N(C)CC[NH+](C)C)C1 ZINC000111131838 186356758 /nfs/dbraw/zinc/35/67/58/186356758.db2.gz JIARVRFPVZSRSW-QLFBSQMISA-N 2 0 255.450 2.024 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CCC[NH+](C)C ZINC000111131731 186356763 /nfs/dbraw/zinc/35/67/63/186356763.db2.gz BJNSUSRLBDCNRJ-SJORKVTESA-N 2 0 293.455 2.357 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(OC)c1)N(C)CCC[NH+](C)C ZINC000111131728 186356831 /nfs/dbraw/zinc/35/68/31/186356831.db2.gz BJNSUSRLBDCNRJ-IRXDYDNUSA-N 2 0 293.455 2.357 10 0 CEAERP CN(CC[NH+](C)C)C[C@@H]([NH3+])c1cccc2ccccc21 ZINC000111134692 186357870 /nfs/dbraw/zinc/35/78/70/186357870.db2.gz DXDSBBYSBJDNEL-QGZVFWFLSA-N 2 0 271.408 2.333 10 0 CEAERP CCC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111134802 186357930 /nfs/dbraw/zinc/35/79/30/186357930.db2.gz HJVWJFOFCJTZHW-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CC(C)[NH2+]CC1(CN(C)CC[NH+](C)C)CCCCC1 ZINC000111146619 186358215 /nfs/dbraw/zinc/35/82/15/186358215.db2.gz GXVISHRAAYRNIA-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[C@](C)(C[NH2+]C(C)C)CN(C)CC[NH+](C)C ZINC000111147307 186358498 /nfs/dbraw/zinc/35/84/98/186358498.db2.gz MLIQTUXKVWYHLW-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP C[NH2+][C@H](c1ccccc1)C(C)(C)CN(C)CC[NH+](C)C ZINC000111147082 186358837 /nfs/dbraw/zinc/35/88/37/186358837.db2.gz FQMODGDWHIJMES-MRXNPFEDSA-N 2 0 277.456 2.467 10 0 CEAERP C[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1cccc(Cl)c1 ZINC000111146931 186359152 /nfs/dbraw/zinc/35/91/52/186359152.db2.gz NIQSIPUCBIHCGZ-HNNXBMFYSA-N 2 0 283.847 2.484 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN(C)CCC[NH+](C)C ZINC000111148068 186359381 /nfs/dbraw/zinc/35/93/81/186359381.db2.gz WFNDLEDTTNEPIR-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]Cc1coc(CN(C)CCC[NH+](C)C)c1 ZINC000111150044 186359813 /nfs/dbraw/zinc/35/98/13/186359813.db2.gz IOJFDKIETUAPFJ-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323367 186397744 /nfs/dbraw/zinc/39/77/44/186397744.db2.gz ULZXGQYRYAOPBR-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111327474 186398251 /nfs/dbraw/zinc/39/82/51/186398251.db2.gz DZNIGLKCPIRGGO-KRWDZBQOSA-N 2 0 299.503 2.055 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccc(C)cc2)CCCOC1 ZINC000111324501 186398880 /nfs/dbraw/zinc/39/88/80/186398880.db2.gz WOMKGBLKEVGYIH-QGZVFWFLSA-N 2 0 276.424 2.443 10 0 CEAERP CN(c1cccc(Cl)c1CC[NH3+])C1CC[NH+](C)CC1 ZINC000111478391 186421533 /nfs/dbraw/zinc/42/15/33/186421533.db2.gz BXFPQDRNAIWPJV-UHFFFAOYSA-N 2 0 281.831 2.372 10 0 CEAERP CCC1(C)CC[NH+](CCOC2CC[NH2+]CC2)CC1 ZINC000111761475 186454829 /nfs/dbraw/zinc/45/48/29/186454829.db2.gz KVNXTWMXCQUOEZ-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CCC(CC)[N@H+](CCCOC1CC[NH2+]CC1)CCOC ZINC000111803576 186458980 /nfs/dbraw/zinc/45/89/80/186458980.db2.gz JNWZQOHPKXUUCU-UHFFFAOYSA-N 2 0 286.460 2.282 10 0 CEAERP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)Cc1ccccc1 ZINC000133292520 187676255 /nfs/dbraw/zinc/67/62/55/187676255.db2.gz ODVIXLPFCQJPQQ-AEFFLSMTSA-N 2 0 290.451 2.302 10 0 CEAERP Cc1cc(N2CCO[C@H]([C@@H](C)[NH3+])C2)c2ccccc2[nH+]1 ZINC000156548854 540008282 /nfs/dbraw/zinc/00/82/82/540008282.db2.gz SIINFYDKINVCAI-WBMJQRKESA-N 2 0 271.364 2.096 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000159181190 366884792 /nfs/dbraw/zinc/88/47/92/366884792.db2.gz OKWSCTRYKFTLLR-QGZVFWFLSA-N 2 0 293.430 2.284 10 0 CEAERP CCC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180094191 368368428 /nfs/dbraw/zinc/36/84/28/368368428.db2.gz IDWATPKTEDZISZ-HUUCEWRRSA-N 2 0 270.461 2.447 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC(C)(C)O ZINC000634576583 368725780 /nfs/dbraw/zinc/72/57/80/368725780.db2.gz VIDMNOYCLXHQAW-GOEBONIOSA-N 2 0 276.424 2.115 10 0 CEAERP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000231455345 370479073 /nfs/dbraw/zinc/47/90/73/370479073.db2.gz MBADGDLLCNOYGU-HNNXBMFYSA-N 2 0 276.380 2.047 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000251791484 371417281 /nfs/dbraw/zinc/41/72/81/371417281.db2.gz LPJGKLYALOZBFX-AESZEHBQSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1cccc([C@@H]2CCCN2Cc2noc(CN)n2)c1 ZINC000261605779 371675542 /nfs/dbraw/zinc/67/55/42/371675542.db2.gz BDBYDALMICGVIM-ZDUSSCGKSA-N 2 0 272.352 2.174 10 0 CEAERP [NH3+]CCN1CCC(c2nccc3ccccc32)CC1 ZINC000259538104 371626440 /nfs/dbraw/zinc/62/64/40/371626440.db2.gz QVUJQTUGIXWHBC-UHFFFAOYSA-N 2 0 255.365 2.373 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]12 ZINC000261698542 371704858 /nfs/dbraw/zinc/70/48/58/371704858.db2.gz NYHRRGXXALXIQS-HYVNUMGLSA-N 2 0 282.391 2.041 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]12 ZINC000261721544 371710449 /nfs/dbraw/zinc/71/04/49/371710449.db2.gz KFYMQUMKPGFUSL-VNQPRFMTSA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000262134022 371829288 /nfs/dbraw/zinc/82/92/88/371829288.db2.gz DFVLNZFUFCKDNW-SJORKVTESA-N 2 0 267.376 2.256 10 0 CEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000262006941 371797271 /nfs/dbraw/zinc/79/72/71/371797271.db2.gz VDZPDLVTHHUNIR-QCODTGAPSA-N 2 0 266.429 2.312 10 0 CEAERP CC(C)OC1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000643475785 373143781 /nfs/dbraw/zinc/14/37/81/373143781.db2.gz LNKOZPHDPWRDKJ-WLYUNCDWSA-N 2 0 254.418 2.454 10 0 CEAERP CCCC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000563445929 377228080 /nfs/dbraw/zinc/22/80/80/377228080.db2.gz PSRHSVAXFMJQHB-GJZGRUSLSA-N 2 0 267.461 2.229 10 0 CEAERP C[C@H]1CCC[C@](CNc2cc[nH+]cc2C(N)=O)([NH+](C)C)C1 ZINC000302210792 379331414 /nfs/dbraw/zinc/33/14/14/379331414.db2.gz GNKLSWXMQQHLCZ-LRDDRELGSA-N 2 0 290.411 2.103 10 0 CEAERP CCOC(=O)CCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000093516650 184686663 /nfs/dbraw/zinc/68/66/63/184686663.db2.gz DZJZXKABFUWQNE-UONOGXRCSA-N 2 0 270.417 2.230 10 0 CEAERP CCN(CC)C(=O)CC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000093515685 184686733 /nfs/dbraw/zinc/68/67/33/184686733.db2.gz LEHQZBQVESXMRF-GJZGRUSLSA-N 2 0 283.460 2.145 10 0 CEAERP C[NH2+][C@H]1[C@H](C[NH+]2CCCCC2)C(C)(C)OC1(C)C ZINC000094427497 184796832 /nfs/dbraw/zinc/79/68/32/184796832.db2.gz SFGMJJBHOOYSPP-STQMWFEESA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+]Cc1ccc(COCC[NH+]2CCCC2)nc1 ZINC000094760845 184855490 /nfs/dbraw/zinc/85/54/90/184855490.db2.gz QRQWOVVFYUIVIG-UHFFFAOYSA-N 2 0 277.412 2.194 10 0 CEAERP CC(C)C[C@H](C[NH3+])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000094699468 184842795 /nfs/dbraw/zinc/84/27/95/184842795.db2.gz QTFXJUQFXXMHQW-GFCCVEGCSA-N 2 0 283.460 2.033 10 0 CEAERP C[NH+](C)CCSc1nc2sccn2c1C[NH2+]C1CC1 ZINC000095021081 184917144 /nfs/dbraw/zinc/91/71/44/184917144.db2.gz VWOUHIBJZQIKQN-UHFFFAOYSA-N 2 0 296.465 2.302 10 0 CEAERP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@@H]1CC[NH2+]C1 ZINC000400345767 533446662 /nfs/dbraw/zinc/44/66/62/533446662.db2.gz IWDBGLRBFKZWBV-ZYHUDNBSSA-N 2 0 270.323 2.376 10 0 CEAERP CCC[C@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000087535195 135050065 /nfs/dbraw/zinc/05/00/65/135050065.db2.gz AMLREMOHERCIOW-CQSZACIVSA-N 2 0 279.403 2.323 10 0 CEAERP NC(=[NH2+])CC1(C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000088258285 135053594 /nfs/dbraw/zinc/05/35/94/135053594.db2.gz JDRDAUFWLMMRPO-UHFFFAOYSA-N 2 0 290.386 2.054 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2c(C[NH3+])cnc3ccccc32)C1 ZINC000091393287 135068203 /nfs/dbraw/zinc/06/82/03/135068203.db2.gz VAVWOOAANCOEDW-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP CC[NH2+]Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)c(Cl)c1 ZINC000091427882 135069836 /nfs/dbraw/zinc/06/98/36/135069836.db2.gz LZGPOQABIDYKNJ-ZDUSSCGKSA-N 2 0 296.846 2.375 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3C=C[C@H]([NH3+])C3)CC2)c1C ZINC000092208957 135076185 /nfs/dbraw/zinc/07/61/85/135076185.db2.gz LQQSPNNLLYJKKY-SJORKVTESA-N 2 0 285.435 2.329 10 0 CEAERP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000093463211 135080886 /nfs/dbraw/zinc/08/08/86/135080886.db2.gz IBJAQKHMIZMEPH-GOEBONIOSA-N 2 0 288.439 2.171 10 0 CEAERP CO[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000379189696 395161863 /nfs/dbraw/zinc/16/18/63/395161863.db2.gz IHIAWLZKSJYLFI-HOTGVXAUSA-N 2 0 262.397 2.448 10 0 CEAERP CO[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000261553668 285745418 /nfs/dbraw/zinc/74/54/18/285745418.db2.gz ALDBSGGSDAOQFU-LJISPDSOSA-N 2 0 254.418 2.454 10 0 CEAERP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000228496729 153364003 /nfs/dbraw/zinc/36/40/03/153364003.db2.gz XNWCMJLZKCQAGH-YESZJQIVSA-N 2 0 280.456 2.488 10 0 CEAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000165833741 162348584 /nfs/dbraw/zinc/34/85/84/162348584.db2.gz UNNGOGCYXHREHH-GJZGRUSLSA-N 2 0 283.460 2.132 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177024142 165186034 /nfs/dbraw/zinc/18/60/34/165186034.db2.gz WHZLLCWFNSVMDB-CVEARBPZSA-N 2 0 295.471 2.194 10 0 CEAERP COc1ccc(C[NH3+])cc1OCC[NH+]1CCCCC1 ZINC000011993987 170465869 /nfs/dbraw/zinc/46/58/69/170465869.db2.gz GOMSTLKFSSVILD-UHFFFAOYSA-N 2 0 264.369 2.019 10 0 CEAERP [NH3+]C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179661 171044010 /nfs/dbraw/zinc/04/40/10/171044010.db2.gz SHNSSDFNGIILHR-MRXNPFEDSA-N 2 0 293.842 2.367 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2cccs2)CC1 ZINC000020179373 171044418 /nfs/dbraw/zinc/04/44/18/171044418.db2.gz WOHFYJUBIWZXCF-ZDUSSCGKSA-N 2 0 267.442 2.022 10 0 CEAERP C[NH+](C)[C@H](CC[NH3+])COc1ccc2c(c1)CCCC2 ZINC000020401607 171181505 /nfs/dbraw/zinc/18/15/05/171181505.db2.gz SGQLRYWHRABPCL-OAHLLOKOSA-N 2 0 262.397 2.223 10 0 CEAERP Cc1cc(OC[C@H](CC[NH3+])[NH+](C)C)ccc1Cl ZINC000020401673 171182420 /nfs/dbraw/zinc/18/24/20/171182420.db2.gz ZRXMIRPHLWOJDC-NSHDSACASA-N 2 0 256.777 2.306 10 0 CEAERP CCCCN(CC)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020524105 171237454 /nfs/dbraw/zinc/23/74/54/171237454.db2.gz IUNVGEJJVAJYHI-YIONKMFJSA-N 2 0 253.434 2.063 10 0 CEAERP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000022152477 171359696 /nfs/dbraw/zinc/35/96/96/171359696.db2.gz TVSJIATZTLXHGY-CYBMUJFWSA-N 2 0 275.396 2.204 10 0 CEAERP C[NH+]1CCN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000022171903 171368125 /nfs/dbraw/zinc/36/81/25/171368125.db2.gz ZAGUQDPMXYCGEJ-KRWDZBQOSA-N 2 0 269.392 2.087 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022177763 171371678 /nfs/dbraw/zinc/37/16/78/171371678.db2.gz LVGXMPFMIBADEW-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022215702 171375477 /nfs/dbraw/zinc/37/54/77/171375477.db2.gz KAWDVBUGLFTRCP-MRXNPFEDSA-N 2 0 261.413 2.021 10 0 CEAERP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[N@H+](C)C1 ZINC000037209991 173031673 /nfs/dbraw/zinc/03/16/73/173031673.db2.gz QZVWEXSRUGVTOC-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)CCCN[C@H](C)[C@@H]1CCC[N@H+](CC)C1 ZINC000037209989 173031923 /nfs/dbraw/zinc/03/19/23/173031923.db2.gz WKJPIFAVUBCQDL-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H]([NH3+])Cc1cccc(OCC[NH+]2CCCC2)c1 ZINC000037726894 173645738 /nfs/dbraw/zinc/64/57/38/173645738.db2.gz UXDDWCZSHFULNX-HNNXBMFYSA-N 2 0 262.397 2.441 10 0 CEAERP CC(C)[NH2+]CCCC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000040670617 174368850 /nfs/dbraw/zinc/36/88/50/174368850.db2.gz DZWYLYFBMTUBQT-WBVHZDCISA-N 2 0 297.487 2.391 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H]2CCCN(C)C2)CC1 ZINC000040672701 174371383 /nfs/dbraw/zinc/37/13/83/174371383.db2.gz ZTKSVXOGDTWRAN-ZBFHGGJFSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H](C)[NH2+]CCN1CCC([NH+]2CCCCC2)CC1 ZINC000040694466 174378386 /nfs/dbraw/zinc/37/83/86/174378386.db2.gz ZZWXWPZMVUGULJ-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCCN(CC[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748627 174393722 /nfs/dbraw/zinc/39/37/22/174393722.db2.gz MUXDKJMJWOPZKT-XYPWUTKMSA-N 2 0 265.445 2.077 10 0 CEAERP C(CC1CC[NH2+]CC1)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000050953914 414747978 /nfs/dbraw/zinc/74/79/78/414747978.db2.gz IEFXGTQNGPUAPD-HZPDHXFCSA-N 2 0 266.429 2.410 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000042615827 174828993 /nfs/dbraw/zinc/82/89/93/174828993.db2.gz CSWMZVXFLRYAIT-KRWDZBQOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N1CCC([NH+](C)C)CC1)C(C)(C)C ZINC000043292791 174998405 /nfs/dbraw/zinc/99/84/05/174998405.db2.gz JFCNONCRAZHZET-KGLIPLIRSA-N 2 0 255.450 2.164 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccncc1)N(C)C1CC[NH+](CC)CC1 ZINC000043354753 175022721 /nfs/dbraw/zinc/02/27/21/175022721.db2.gz OBVUWVHZCQQUSC-DLBZAZTESA-N 2 0 290.455 2.276 10 0 CEAERP CC[NH+]1CCN(Cc2cc([C@H](C)[NH2+]C)ccc2OC)CC1 ZINC000043805941 175108108 /nfs/dbraw/zinc/10/81/08/175108108.db2.gz WCGGHLUENGECNK-AWEZNQCLSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818304 175112959 /nfs/dbraw/zinc/11/29/59/175112959.db2.gz ZQCAMCNAHSJPHR-NVXWUHKLSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@@H]([C@@H]([NH2+]C)c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000043818239 175113312 /nfs/dbraw/zinc/11/33/12/175113312.db2.gz CRUHXEXWLMSRTL-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000043818502 175113422 /nfs/dbraw/zinc/11/34/22/175113422.db2.gz AGKWGAYSWDSZDS-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907752 175123085 /nfs/dbraw/zinc/12/30/85/175123085.db2.gz HFGDCLIMNJSPQZ-IRXDYDNUSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907820 175123231 /nfs/dbraw/zinc/12/32/31/175123231.db2.gz WGRWUSXWUZIWMA-DLBZAZTESA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@@H](C)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000043965720 175127075 /nfs/dbraw/zinc/12/70/75/175127075.db2.gz JHURVPXZRWKQJX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1 ZINC000043967509 175128535 /nfs/dbraw/zinc/12/85/35/175128535.db2.gz MJAAEBIZTLGYLQ-QGZVFWFLSA-N 2 0 273.424 2.036 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)c(C)c1 ZINC000043967599 175128913 /nfs/dbraw/zinc/12/89/13/175128913.db2.gz XUFQSGTZIIGZKZ-SFHVURJKSA-N 2 0 287.451 2.344 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044806950 175256487 /nfs/dbraw/zinc/25/64/87/175256487.db2.gz GUAQKNNHPVWDCM-UHFFFAOYSA-N 2 0 297.487 2.332 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000044805814 175256633 /nfs/dbraw/zinc/25/66/33/175256633.db2.gz KHTHZCDTHPUUSW-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP C[C@@H](CNC(=O)C1(C[NH3+])CCCCCC1)[NH+]1CCCCC1 ZINC000044995375 175287280 /nfs/dbraw/zinc/28/72/80/175287280.db2.gz BJDPTQXHOUNRDI-HNNXBMFYSA-N 2 0 295.471 2.276 10 0 CEAERP C[C@H](Cn1c(N)[nH+]c2ccccc21)[NH+]1CCCCC1 ZINC000045005546 175288369 /nfs/dbraw/zinc/28/83/69/175288369.db2.gz LEVWFJKUKHDCAZ-GFCCVEGCSA-N 2 0 258.369 2.493 10 0 CEAERP CCC[NH2+]C1CCN(C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135355 175313012 /nfs/dbraw/zinc/31/30/12/175313012.db2.gz GJZOWKULQFVJAW-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2c(C)nn(C)c2C)CC1 ZINC000045172719 175321858 /nfs/dbraw/zinc/32/18/58/175321858.db2.gz SCXVCEYCEQCVNA-GFCCVEGCSA-N 2 0 278.444 2.419 10 0 CEAERP CCCC[N@H+](CC)CCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045370763 175364217 /nfs/dbraw/zinc/36/42/17/175364217.db2.gz CAFOQOVHUKBATP-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CC[N@H+](CCCC[C@](C)([NH2+]C)C(N)=O)C1CCCCC1 ZINC000045372320 175365137 /nfs/dbraw/zinc/36/51/37/175365137.db2.gz LPJKLVIBDQFXKS-INIZCTEOSA-N 2 0 283.460 2.275 10 0 CEAERP C[N@H+](CCCC[C@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379100 175368715 /nfs/dbraw/zinc/36/87/15/175368715.db2.gz QCUYFHPSRRKFCR-KRWDZBQOSA-N 2 0 295.471 2.417 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH3+])C(=O)OC)CC(C)C ZINC000045381663 175369924 /nfs/dbraw/zinc/36/99/24/175369924.db2.gz WDUOHMQVLWIDGM-CQSZACIVSA-N 2 0 258.406 2.025 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccccc1 ZINC000070941108 176014463 /nfs/dbraw/zinc/01/44/63/176014463.db2.gz BBFJUPCBRAPRSA-HZPDHXFCSA-N 2 0 290.407 2.147 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071038098 176026431 /nfs/dbraw/zinc/02/64/31/176026431.db2.gz FCXNMYQZQBPGHF-CVEARBPZSA-N 2 0 297.487 2.486 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071124903 176034994 /nfs/dbraw/zinc/03/49/94/176034994.db2.gz VPJWFKMYOKBSKO-OAGGEKHMSA-N 2 0 267.461 2.168 10 0 CEAERP COCC[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000071137988 176036350 /nfs/dbraw/zinc/03/63/50/176036350.db2.gz KCRBWVDLQPAFIE-UHFFFAOYSA-N 2 0 292.423 2.143 10 0 CEAERP Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187910 176061174 /nfs/dbraw/zinc/06/11/74/176061174.db2.gz JQYAHXUVHKKJRQ-BFYDXBDKSA-N 2 0 275.440 2.267 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188051 176061380 /nfs/dbraw/zinc/06/13/80/176061380.db2.gz VVUILDJMKJJWFB-BZPMIXESSA-N 2 0 267.442 2.020 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187890 176061892 /nfs/dbraw/zinc/06/18/92/176061892.db2.gz RECVWYGWRZSUPG-SNPRPXQTSA-N 2 0 281.469 2.410 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188356 176062609 /nfs/dbraw/zinc/06/26/09/176062609.db2.gz IEEMEGRUDWEBFS-CZUORRHYSA-N 2 0 279.403 2.017 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188898 176063444 /nfs/dbraw/zinc/06/34/44/176063444.db2.gz OEKZEAXZMKUDGY-WCXIOVBPSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188893 176063815 /nfs/dbraw/zinc/06/38/15/176063815.db2.gz QEEHYHXHMLUPEX-OLMNPRSZSA-N 2 0 287.451 2.145 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189043 176064708 /nfs/dbraw/zinc/06/47/08/176064708.db2.gz QWZBNEVUBYEZBI-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1F ZINC000071191263 176069289 /nfs/dbraw/zinc/06/92/89/176069289.db2.gz KAKFHANRMFQYAG-RHSMWYFYSA-N 2 0 293.430 2.360 10 0 CEAERP CC[C@@H]1CC[C@H](O)[C@H](C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071191574 176069477 /nfs/dbraw/zinc/06/94/77/176069477.db2.gz LZCCWNBOTMBXQM-WCVJEAGWSA-N 2 0 268.445 2.057 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N(C)C[C@H]2CC[N@H+](C)C2)nc1 ZINC000071191671 176072311 /nfs/dbraw/zinc/07/23/11/176072311.db2.gz PTJLJLTXPCYDPR-INIZCTEOSA-N 2 0 290.455 2.215 10 0 CEAERP CC[NH2+][C@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000071198307 176077150 /nfs/dbraw/zinc/07/71/50/176077150.db2.gz UMUOIKFKEDIVIA-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP [NH3+]Cc1cc(F)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000071263704 176096880 /nfs/dbraw/zinc/09/68/80/176096880.db2.gz IYLHGVWEFJKFTI-KRWDZBQOSA-N 2 0 291.414 2.345 10 0 CEAERP CCC(CC)[N@H+](CCO)Cc1ccc(F)cc1C(N)=[NH2+] ZINC000071267878 176101561 /nfs/dbraw/zinc/10/15/61/176101561.db2.gz UJISUNPJQFODGL-UHFFFAOYSA-N 2 0 281.375 2.093 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)CCN1CCCC1 ZINC000071290037 176110270 /nfs/dbraw/zinc/11/02/70/176110270.db2.gz QTQOHSOLNCVXSU-UHFFFAOYSA-N 2 0 255.450 2.184 10 0 CEAERP C[C@@H]1C[N@H+](CCCCCC[NH2+]C2CC2)CCCO1 ZINC000071289844 176110668 /nfs/dbraw/zinc/11/06/68/176110668.db2.gz BNJVASYSUHHLOQ-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)C1CCCC1 ZINC000071379316 176143729 /nfs/dbraw/zinc/14/37/29/176143729.db2.gz FSVSOMJLWCQJSW-ZXFUBFMLSA-N 2 0 279.472 2.466 10 0 CEAERP C[C@H](C[NH+]1CCCC1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401178 176153447 /nfs/dbraw/zinc/15/34/47/176153447.db2.gz AAOLZPYWPUKKGG-ZBFHGGJFSA-N 2 0 289.423 2.067 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000079242135 177454710 /nfs/dbraw/zinc/45/47/10/177454710.db2.gz CPONNLGAOWNRBU-JKSUJKDBSA-N 2 0 295.471 2.228 10 0 CEAERP CC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249393715 280395466 /nfs/dbraw/zinc/39/54/66/280395466.db2.gz RIYMBXMIWBPCFY-YCPHGPKFSA-N 2 0 268.445 2.390 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000516272849 313086209 /nfs/dbraw/zinc/08/62/09/313086209.db2.gz MZURLLMHXHEIDL-SOLBZPMBSA-N 2 0 289.467 2.485 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[NH+]1CCN(C2CC2)CC1 ZINC000052371371 519743637 /nfs/dbraw/zinc/74/36/37/519743637.db2.gz WJGLHEZPYZOJJV-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC000063051754 519803382 /nfs/dbraw/zinc/80/33/82/519803382.db2.gz ONTALSUXVDZUKS-BZUAXINKSA-N 2 0 267.461 2.166 10 0 CEAERP CC[NH2+]CCC[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074316 519919805 /nfs/dbraw/zinc/91/98/05/519919805.db2.gz UVTPABQZARKEDQ-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@H](C)CC(C)C)nn1 ZINC000052571929 519963391 /nfs/dbraw/zinc/96/33/91/519963391.db2.gz FJERPSSNXGKSCW-CQSZACIVSA-N 2 0 281.448 2.144 10 0 CEAERP CC[NH2+]Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000052443265 519995903 /nfs/dbraw/zinc/99/59/03/519995903.db2.gz BHICQLWZEVTAMF-UHFFFAOYSA-N 2 0 250.411 2.345 10 0 CEAERP CC[NH2+]Cc1coc(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000052503357 520017013 /nfs/dbraw/zinc/01/70/13/520017013.db2.gz NZFLROCAONRVPN-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CC[NH2+][C@H](C)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065140 520172945 /nfs/dbraw/zinc/17/29/45/520172945.db2.gz OTHUSOVLCCPTRX-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075946 520666467 /nfs/dbraw/zinc/66/64/67/520666467.db2.gz WIRWXPSIZIEATE-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C(C)C)CCOCC1)C1CC1 ZINC000052181256 520938075 /nfs/dbraw/zinc/93/80/75/520938075.db2.gz GZQMAJLYJYVMKL-UHFFFAOYSA-N 2 0 254.418 2.266 10 0 CEAERP CCC(CC)(C[NH2+]CC(C)C)C[N@@H+]1CC[C@H](O)C1 ZINC000061711753 521438732 /nfs/dbraw/zinc/43/87/32/521438732.db2.gz YFBYLZJTXNIAHM-AWEZNQCLSA-N 2 0 256.434 2.105 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543949 521566794 /nfs/dbraw/zinc/56/67/94/521566794.db2.gz NQTGCAVQFOMTDD-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H]1C[NH2+]Cc2ccccc21 ZINC000069266812 521658637 /nfs/dbraw/zinc/65/86/37/521658637.db2.gz KVQJJEIKBNEBRK-INIZCTEOSA-N 2 0 261.413 2.105 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](CCO)C2CCCC2)CCOCC1 ZINC000052183183 519719602 /nfs/dbraw/zinc/71/96/02/519719602.db2.gz OTKAXDGYEQQVLN-UHFFFAOYSA-N 2 0 298.471 2.018 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055081986 519725959 /nfs/dbraw/zinc/72/59/59/519725959.db2.gz VJGAVGFMTSDOSD-KRWDZBQOSA-N 2 0 275.440 2.350 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654266 519728042 /nfs/dbraw/zinc/72/80/42/519728042.db2.gz BFSSIQUJANLMNK-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654660 519743418 /nfs/dbraw/zinc/74/34/18/519743418.db2.gz JYMUSLVPWKDAHA-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)C[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC000062734229 519747696 /nfs/dbraw/zinc/74/76/96/519747696.db2.gz YCRZHVIQRHPPRQ-UHFFFAOYSA-N 2 0 261.413 2.184 10 0 CEAERP CCC[NH+]1CCN(Cc2ccc(C[NH2+]CC)cc2)CC1 ZINC000052422000 519859123 /nfs/dbraw/zinc/85/91/23/519859123.db2.gz NMXWRAOKIHMAHF-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)Cn1ccnc1 ZINC000054629518 519908862 /nfs/dbraw/zinc/90/88/62/519908862.db2.gz XBEDFMGGPDFNFN-HNSVSWJLSA-N 2 0 276.428 2.267 10 0 CEAERP CCC[NH2+]CCCCC[N@H+](C)C1CCN(C)CC1 ZINC000052419894 519911825 /nfs/dbraw/zinc/91/18/25/519911825.db2.gz RYWWITJJRBECDT-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]CCCCC[N@H+](CCOC)[C@H](C)COC ZINC000052572414 519911889 /nfs/dbraw/zinc/91/18/89/519911889.db2.gz LOVHHWNBLXVAGR-OAHLLOKOSA-N 2 0 274.449 2.140 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN1CCC[C@H]1C[NH+](C)C ZINC000061653547 519912040 /nfs/dbraw/zinc/91/20/40/519912040.db2.gz DGQREXKHLIDLMG-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]CC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515490 519918777 /nfs/dbraw/zinc/91/87/77/519918777.db2.gz MHBIKDSGKUNNMC-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCN(C)C)CC(C)C)O1 ZINC000052503398 519936209 /nfs/dbraw/zinc/93/62/09/519936209.db2.gz XPWMOROSVVDUIK-SJORKVTESA-N 2 0 299.503 2.053 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCC(OCC)CC2)O1 ZINC000052484086 519938809 /nfs/dbraw/zinc/93/88/09/519938809.db2.gz VECSLBCZCJOZIW-CVEARBPZSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]Cc1cc(C[N@H+](CC)[C@@H](C)COC)on1 ZINC000052504845 519944885 /nfs/dbraw/zinc/94/48/85/519944885.db2.gz RMNPNZYWCIWABE-LBPRGKRZSA-N 2 0 269.389 2.031 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CCC[N@H+](C)CC2)cc1 ZINC000052424339 519947628 /nfs/dbraw/zinc/94/76/28/519947628.db2.gz LCJDCDDNSPBRKA-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055071844 519957817 /nfs/dbraw/zinc/95/78/17/519957817.db2.gz UDIMTZGCNNTCLY-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000052476658 519996698 /nfs/dbraw/zinc/99/66/98/519996698.db2.gz NYJHDJNLOCJHFI-KBPBESRZSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](CC)CCOC)c1 ZINC000052542654 520003738 /nfs/dbraw/zinc/00/37/38/520003738.db2.gz FPURHQINXRLHCG-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]Cc1ccoc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515283 520010444 /nfs/dbraw/zinc/01/04/44/520010444.db2.gz OBBUQJOSAKJSEG-UHFFFAOYSA-N 3 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1cn(CC[NH+](CC(C)C)CC(C)C)nn1 ZINC000052484949 520012318 /nfs/dbraw/zinc/01/23/18/520012318.db2.gz YSTBEHBJLGDSHD-UHFFFAOYSA-N 2 0 281.448 2.002 10 0 CEAERP CC[NH2+]Cc1nc(N2CCC[C@@H]2C[NH+](C)C)ccc1Cl ZINC000061654358 520020106 /nfs/dbraw/zinc/02/01/06/520020106.db2.gz NZLWIQNTSIRJAO-GFCCVEGCSA-N 2 0 296.846 2.375 10 0 CEAERP CCC[NH2+][C@H](CN(C)[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC000053245018 520080671 /nfs/dbraw/zinc/08/06/71/520080671.db2.gz BZAMQJZIORWEJO-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@@H+]1CCCCC[C@@H]1C)C(N)=O ZINC000069549205 520106322 /nfs/dbraw/zinc/10/63/22/520106322.db2.gz PBJILAULYYYLMY-GOEBONIOSA-N 2 0 283.460 2.275 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000053858895 520214722 /nfs/dbraw/zinc/21/47/22/520214722.db2.gz NIUUHKUVMAZISG-IRXDYDNUSA-N 3 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000054554796 520217885 /nfs/dbraw/zinc/21/78/85/520217885.db2.gz NUUAFNNKODKQGB-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CCO[C@@H](C[NH3+])C[N@H+](C)Cc1ccc(CC)cc1 ZINC000062739589 520308671 /nfs/dbraw/zinc/30/86/71/520308671.db2.gz KHVMMBJWIPQJAT-HNNXBMFYSA-N 2 0 250.386 2.045 10 0 CEAERP CC1(C)CC[NH+](CC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000061818768 520377553 /nfs/dbraw/zinc/37/75/53/520377553.db2.gz WVMQBAXQXJJYMP-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655157 520666573 /nfs/dbraw/zinc/66/65/73/520666573.db2.gz ZUEPIQNCQRGCLG-RBSFLKMASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794754 520698401 /nfs/dbraw/zinc/69/84/01/520698401.db2.gz NZSGLOWUIQCZRG-UHFFFAOYSA-N 2 0 269.776 2.345 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCC[C@@H]1C[NH+](C)C ZINC000061643653 520769359 /nfs/dbraw/zinc/76/93/59/520769359.db2.gz DCUIFQVOCFOCJH-KFWWJZLASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[NH2+]CCC(C)C)C1 ZINC000062974237 520849265 /nfs/dbraw/zinc/84/92/65/520849265.db2.gz ZCTBYRITIMBHAR-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@H+](CC1(C[NH2+]C2CC2)CCOCC1)C(C)C ZINC000052181320 520938241 /nfs/dbraw/zinc/93/82/41/520938241.db2.gz CPDXGBIKJHPSRT-UHFFFAOYSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[C@@]1(C(=O)NC[C@@H](C(CC)CC)[NH+](C)C)CC[NH2+]C1 ZINC000062900021 520942946 /nfs/dbraw/zinc/94/29/46/520942946.db2.gz BJFKCSCQDHNJOW-DOTOQJQBSA-N 2 0 297.487 2.249 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655160 521060989 /nfs/dbraw/zinc/06/09/89/521060989.db2.gz ZUEPIQNCQRGCLG-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CCOc1ccc([C@@H](C)[NH3+])cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000062965139 521216475 /nfs/dbraw/zinc/21/64/75/521216475.db2.gz UBHKOVHTJBIGRI-CJNGLKHVSA-N 2 0 291.439 2.241 10 0 CEAERP CCN(Cc1ccncc1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000049023822 521419092 /nfs/dbraw/zinc/41/90/92/521419092.db2.gz UQDHGCXPWFSBQW-UHFFFAOYSA-N 2 0 290.455 2.105 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CC[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000053033635 521549558 /nfs/dbraw/zinc/54/95/58/521549558.db2.gz DSCOVYFAQAIKAY-MRXNPFEDSA-N 3 0 267.461 2.038 10 0 CEAERP CCN1CCC([N@H+](C)CCCC[NH2+]CC(C)C)CC1 ZINC000052543938 521562659 /nfs/dbraw/zinc/56/26/59/521562659.db2.gz LAHLTSVQMDDYBX-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C)C[NH2+]Cc2ccco2)CC1 ZINC000053496713 521567219 /nfs/dbraw/zinc/56/72/19/521567219.db2.gz HQRPAOAGNHPSNR-AWEZNQCLSA-N 2 0 279.428 2.174 10 0 CEAERP CCOc1ccccc1[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643519 521579802 /nfs/dbraw/zinc/57/98/02/521579802.db2.gz FXBCHXGUWSWDMG-ZBFHGGJFSA-N 2 0 291.439 2.111 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+](C)C ZINC000050950253 521602844 /nfs/dbraw/zinc/60/28/44/521602844.db2.gz ACURGEWLGDNXCI-MRXNPFEDSA-N 2 0 297.487 2.249 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCCC1 ZINC000164392165 521616634 /nfs/dbraw/zinc/61/66/34/521616634.db2.gz BYNDVYHSEBQZKP-INIZCTEOSA-N 2 0 295.471 2.003 10 0 CEAERP CCCN(CC[NH+](C)C)[C@]1(C[NH3+])CCCc2ccccc21 ZINC000045665823 521658746 /nfs/dbraw/zinc/65/87/46/521658746.db2.gz YGINGNNTOKEDRS-SFHVURJKSA-N 2 0 289.467 2.451 10 0 CEAERP CCN1CC[NH+]([C@@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052422441 521690271 /nfs/dbraw/zinc/69/02/71/521690271.db2.gz RMKIXEVHKNVMHX-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCN1CC[NH+]([C@H](C)CCC[NH2+]C(C)(C)C)CC1 ZINC000052422443 521693805 /nfs/dbraw/zinc/69/38/05/521693805.db2.gz RMKIXEVHKNVMHX-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCC(C)C ZINC000054629546 521955580 /nfs/dbraw/zinc/95/55/80/521955580.db2.gz NERHUVMFNRLZTC-GOOCMWNKSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1 ZINC000054628706 521955736 /nfs/dbraw/zinc/95/57/36/521955736.db2.gz QHFDJDORFYEJLI-GOOCMWNKSA-N 2 0 260.381 2.280 10 0 CEAERP CC[C@@H](C)[N@H+](CCOC)Cc1ccoc1C[NH2+]C ZINC000052547307 522091222 /nfs/dbraw/zinc/09/12/22/522091222.db2.gz UDIJHLGTIVLSSW-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(F)cc2)O1 ZINC000052346219 522095804 /nfs/dbraw/zinc/09/58/04/522095804.db2.gz YILZUWGIVYZMAW-HUUCEWRRSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](CCOC)CC(C)C)oc1C ZINC000052508506 522107831 /nfs/dbraw/zinc/10/78/31/522107831.db2.gz YHFQLSFXRCAUAY-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074147 522128962 /nfs/dbraw/zinc/12/89/62/522128962.db2.gz KALXNKRSWVGFHM-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+]Cc1ccccc1COCC[NH+]1CCCCC1 ZINC000052671079 522135788 /nfs/dbraw/zinc/13/57/88/522135788.db2.gz GYSOCXKXPCYBSF-UHFFFAOYSA-N 2 0 262.397 2.409 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc([C@@H](C)[NH2+]C)s2)CC1 ZINC000055076250 522136304 /nfs/dbraw/zinc/13/63/04/522136304.db2.gz DMJKGVVQEPUVJV-VXGBXAGGSA-N 2 0 282.457 2.344 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543837 522140393 /nfs/dbraw/zinc/14/03/93/522140393.db2.gz PMZICNWNTFXMDC-DZGCQCFKSA-N 2 0 260.381 2.269 10 0 CEAERP C[NH2+]Cc1sc2ccccc2c1CN1CC[NH+](C)CC1 ZINC000052379196 522168610 /nfs/dbraw/zinc/16/86/10/522168610.db2.gz OEEIDZKQQXSHRN-UHFFFAOYSA-N 2 0 289.448 2.368 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977587 522344592 /nfs/dbraw/zinc/34/45/92/522344592.db2.gz ILMJPWYEVLEGHY-YQQAZPJKSA-N 2 0 288.439 2.030 10 0 CEAERP CCc1nc2ccccc2n1CC[NH2+]CCC[NH+](C)C ZINC000062808241 522500237 /nfs/dbraw/zinc/50/02/37/522500237.db2.gz PXQAVUUDCUQELW-UHFFFAOYSA-N 2 0 274.412 2.140 10 0 CEAERP COc1cc2c(cc1OC)C[N@@H+](C1CCC([NH3+])CC1)CC2 ZINC000055144260 523030736 /nfs/dbraw/zinc/03/07/36/523030736.db2.gz ARYRTJGNYWCHPI-UHFFFAOYSA-N 2 0 290.407 2.332 10 0 CEAERP COCCC[N@H+](CCOC)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052543332 523257296 /nfs/dbraw/zinc/25/72/96/523257296.db2.gz GEZPVSOEYCCHJD-CQSZACIVSA-N 2 0 274.449 2.138 10 0 CEAERP COCC[N@H+](Cc1ccoc1C[NH2+]C(C)C)C1CC1 ZINC000052542434 523771019 /nfs/dbraw/zinc/77/10/19/523771019.db2.gz KNLRLFQNTGAERM-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CN1CC[NH+](Cc2c3ccccc3sc2C[NH3+])CC1 ZINC000052379420 523909365 /nfs/dbraw/zinc/90/93/65/523909365.db2.gz HGMOFWRJSOCZEV-UHFFFAOYSA-N 2 0 275.421 2.107 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055072441 523954515 /nfs/dbraw/zinc/95/45/15/523954515.db2.gz ZSJHKYIFRWKLQT-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065273 523959835 /nfs/dbraw/zinc/95/98/35/523959835.db2.gz WNXKOJJANRFCSA-WBAXXEDZSA-N 2 0 287.451 2.288 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064304 523959845 /nfs/dbraw/zinc/95/98/45/523959845.db2.gz DUAPZTDVQSFLFV-BLLLJJGKSA-N 2 0 297.393 2.381 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642756 524028034 /nfs/dbraw/zinc/02/80/34/524028034.db2.gz BMJCBPRYOBFNFA-TZMCWYRMSA-N 2 0 281.469 2.336 10 0 CEAERP C[NH+](C)CCCC[NH2+]CCCOc1ccccc1 ZINC000061815784 524052899 /nfs/dbraw/zinc/05/28/99/524052899.db2.gz OKURBWKEAMAGPQ-UHFFFAOYSA-N 2 0 250.386 2.387 10 0 CEAERP Cc1cccc(C[N@@H+](C)CC2(C[NH3+])CCOCC2)c1 ZINC000052198209 524375288 /nfs/dbraw/zinc/37/52/88/524375288.db2.gz BDWNSJDQZJSSDK-UHFFFAOYSA-N 2 0 262.397 2.182 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CCC([NH+](C)C)CC1 ZINC000052477593 524476940 /nfs/dbraw/zinc/47/69/40/524476940.db2.gz DKAUQYLGDJDMAG-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515502 524496283 /nfs/dbraw/zinc/49/62/83/524496283.db2.gz HOWTURXNSSXHJC-AWEZNQCLSA-N 3 0 269.477 2.427 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN1CC[NH+](CC2CC2)CC1 ZINC000052372431 524734638 /nfs/dbraw/zinc/73/46/38/524734638.db2.gz ZXAWTJLZPDQMNN-AWEZNQCLSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H]([NH3+])c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054898205 525032341 /nfs/dbraw/zinc/03/23/41/525032341.db2.gz JEPFYVHQKLUWDZ-SNVBAGLBSA-N 2 0 268.430 2.083 10 0 CEAERP COc1ccc([C@H](C)[NH3+])cc1CN1CCC[C@@H]1C[NH+](C)C ZINC000061643308 525302007 /nfs/dbraw/zinc/30/20/07/525302007.db2.gz QPCQCYDBUZIQST-XJKSGUPXSA-N 2 0 291.439 2.241 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)ccc1F ZINC000061642755 525536798 /nfs/dbraw/zinc/53/67/98/525536798.db2.gz MXDMEFNUZLLMDG-ZBFHGGJFSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068629868 525646678 /nfs/dbraw/zinc/64/66/78/525646678.db2.gz BUBKGUNDSUYVMO-YVSFHVDLSA-N 2 0 279.472 2.310 10 0 CEAERP C[C@H](O)CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034428 525707388 /nfs/dbraw/zinc/70/73/88/525707388.db2.gz XPIAIVDWXRGXOF-HNNXBMFYSA-N 2 0 268.445 2.345 10 0 CEAERP Cc1ccsc1[C@@H]([C@@H](C)[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062964033 525873653 /nfs/dbraw/zinc/87/36/53/525873653.db2.gz FOQZPGUKUDYOFB-FRRDWIJNSA-N 2 0 267.442 2.081 10 0 CEAERP C[C@H]([C@H]([NH3+])c1ccccc1)N(C)C1CC[NH+](C)CC1 ZINC000052684815 526031615 /nfs/dbraw/zinc/03/16/15/526031615.db2.gz RHVNETGXFISIEE-CJNGLKHVSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H](C1CC1)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181788 526204891 /nfs/dbraw/zinc/20/48/91/526204891.db2.gz BYTYCCLOTIFYAT-CYBMUJFWSA-N 2 0 266.429 2.266 10 0 CEAERP c1ccc(N2CC[NH+](C[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000070257020 526480985 /nfs/dbraw/zinc/48/09/85/526480985.db2.gz ZYEZFTGNSAOWFD-INIZCTEOSA-N 2 0 285.435 2.198 10 0 CEAERP Cc1oc(CN(CC[NH+](C)C)CC(C)C)cc1C[NH3+] ZINC000052503325 526768749 /nfs/dbraw/zinc/76/87/49/526768749.db2.gz OAUWJRYPIFTLBU-UHFFFAOYSA-N 2 0 267.417 2.066 10 0 CEAERP Cc1oc(C[NH2+]CC(C)C)cc1COCC[NH+](C)C ZINC000052669901 526775255 /nfs/dbraw/zinc/77/52/55/526775255.db2.gz OBHDOOIQSWZBKU-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP NC(=[NH2+])c1ccc(N2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000052061994 526823138 /nfs/dbraw/zinc/82/31/38/526823138.db2.gz AHDQWVITUGOIGU-UHFFFAOYSA-N 2 0 290.386 2.174 10 0 CEAERP Cc1nc(N(C)C2CC[NH+](C)CC2)sc1C[NH2+]C1CC1 ZINC000054994897 526949610 /nfs/dbraw/zinc/94/96/10/526949610.db2.gz DLSGKNXIKQZISG-UHFFFAOYSA-N 2 0 294.468 2.234 10 0 CEAERP [NH3+][C@@H]1CCCc2nc(N3CC[NH+](CC4CC4)CC3)sc21 ZINC000054898779 527362256 /nfs/dbraw/zinc/36/22/56/527362256.db2.gz CRAQVAXNHXPFOG-GFCCVEGCSA-N 2 0 292.452 2.011 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757148397 574510593 /nfs/dbraw/zinc/51/05/93/574510593.db2.gz UKTKXFVSQMKBGG-LLVKDONJSA-N 2 0 262.344 2.078 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@@H]12 ZINC000312652278 628360622 /nfs/dbraw/zinc/36/06/22/628360622.db2.gz FXGZAMIRLUZIPB-KBRIMQKVSA-N 2 0 267.376 2.404 10 0 CEAERP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000261564033 628938903 /nfs/dbraw/zinc/93/89/03/628938903.db2.gz CEUMRPKTQCSROY-ZFWWWQNUSA-N 2 0 262.397 2.255 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@@H](CN[C@H]3CC[NH2+]C3)C2)cc1 ZINC000261560401 628939137 /nfs/dbraw/zinc/93/91/37/628939137.db2.gz ZWIQATSHKBIPIQ-ROUUACIJSA-N 2 0 287.451 2.240 10 0 CEAERP CC[NH+](CC)CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000037853219 361955427 /nfs/dbraw/zinc/95/54/27/361955427.db2.gz ISYNAYOCSOVCFW-OAHLLOKOSA-N 2 0 250.386 2.042 10 0 CEAERP Cc1nc2cc(NC(=O)[C@]3(C)CCCC[NH2+]3)ccc2[nH]1 ZINC000136168750 344384125 /nfs/dbraw/zinc/38/41/25/344384125.db2.gz WNXYEUOCUFTETR-HNNXBMFYSA-N 2 0 272.352 2.342 10 0 CEAERP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)CC(C)C ZINC000262270373 344654324 /nfs/dbraw/zinc/65/43/24/344654324.db2.gz IGRKKJZVBXWIOV-JYJNAYRXSA-N 2 0 297.487 2.377 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccnc4ccccc34)C[C@@H]12 ZINC000381839653 344825372 /nfs/dbraw/zinc/82/53/72/344825372.db2.gz JSQVPIKDTDGGRV-APHBMKBZSA-N 2 0 267.376 2.404 10 0 CEAERP CCC[NH2+]CC1CC[NH+]([C@H](CC)C(=O)OCC)CC1 ZINC000084107010 178794082 /nfs/dbraw/zinc/79/40/82/178794082.db2.gz VASHGFPRMBVWGJ-CQSZACIVSA-N 2 0 270.417 2.040 10 0 CEAERP C[N@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000054308280 362526683 /nfs/dbraw/zinc/52/66/83/362526683.db2.gz QXPOEHLDLIOVRI-OAHLLOKOSA-N 2 0 295.471 2.147 10 0 CEAERP CCC[NH2+][C@@H](C)C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000084392168 178880186 /nfs/dbraw/zinc/88/01/86/178880186.db2.gz JDEBNFTVTJRQHW-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@H](C[C@](C)(O)C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300945 179010041 /nfs/dbraw/zinc/01/00/41/179010041.db2.gz DJNFVFPUQHEXLC-YUELXQCFSA-N 2 0 254.418 2.129 10 0 CEAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000085369560 179039167 /nfs/dbraw/zinc/03/91/67/179039167.db2.gz NNRNLJXMAIBOOS-CVEARBPZSA-N 2 0 295.471 2.275 10 0 CEAERP CC(C)N(C)C(=O)C[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403745 179052969 /nfs/dbraw/zinc/05/29/69/179052969.db2.gz ASLQGSRYHZMELY-INIZCTEOSA-N 2 0 295.471 2.097 10 0 CEAERP C[C@@H](C[NH3+])c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000097806333 185670812 /nfs/dbraw/zinc/67/08/12/185670812.db2.gz KLFRBYDROJSTOF-WMLDXEAASA-N 2 0 273.424 2.029 10 0 CEAERP C[C@@H](CC[NH+](C)C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573488 179097948 /nfs/dbraw/zinc/09/79/48/179097948.db2.gz NKAUIOWENWOIJZ-VIFPVBQESA-N 2 0 290.333 2.060 10 0 CEAERP Cc1cc(C[C@H](C)[NH3+])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000111511712 136563162 /nfs/dbraw/zinc/56/31/62/136563162.db2.gz GYKGFSVDFYUNMG-HNNXBMFYSA-N 2 0 287.451 2.417 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+]C3(CCCCC3)C2)CC1 ZINC000086144507 179237656 /nfs/dbraw/zinc/23/76/56/179237656.db2.gz WNRVVZXYDIODMD-UHFFFAOYSA-N 2 0 279.472 2.469 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086153917 179240599 /nfs/dbraw/zinc/24/05/99/179240599.db2.gz UEUNCYALEUPNRU-PMPSAXMXSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086172521 179245115 /nfs/dbraw/zinc/24/51/15/179245115.db2.gz QGASANBRWDEDOY-OAGGEKHMSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174198 179245329 /nfs/dbraw/zinc/24/53/29/179245329.db2.gz HNJPMEFIZDFMGB-XHSDSOJGSA-N 2 0 267.461 2.035 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1CCCC[NH+](C)C ZINC000086174278 179245578 /nfs/dbraw/zinc/24/55/78/179245578.db2.gz DWEYKGVHHLCIQN-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000086177559 179246694 /nfs/dbraw/zinc/24/66/94/179246694.db2.gz GDUUOQJGNZUUEL-IAGOWNOFSA-N 2 0 273.424 2.117 10 0 CEAERP C[N@@H+]1CCC[C@@H](CN2CC[NH2+][C@](C)(c3ccccc3)C2)C1 ZINC000086145746 179239143 /nfs/dbraw/zinc/23/91/43/179239143.db2.gz JBQKDJPNUOPXAF-AEFFLSMTSA-N 2 0 287.451 2.149 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182768 179248029 /nfs/dbraw/zinc/24/80/29/179248029.db2.gz CCFHMDCFNKMITC-ZACQAIPSSA-N 2 0 293.499 2.425 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217838 179249572 /nfs/dbraw/zinc/24/95/72/179249572.db2.gz YALPJIAVLFXQIH-HNNXBMFYSA-N 2 0 279.472 2.467 10 0 CEAERP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217824 179249975 /nfs/dbraw/zinc/24/99/75/179249975.db2.gz JORVJRSHZZPYHD-YOEHRIQHSA-N 2 0 279.472 2.323 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086223019 179250484 /nfs/dbraw/zinc/25/04/84/179250484.db2.gz NDESTCBSEFKPDJ-DJIMGWMZSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223033 179250926 /nfs/dbraw/zinc/25/09/26/179250926.db2.gz OBNNTZZJWGASKE-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223180 179252165 /nfs/dbraw/zinc/25/21/65/179252165.db2.gz ACMYABMKFUEBPO-CVEARBPZSA-N 2 0 279.472 2.181 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223958 179253302 /nfs/dbraw/zinc/25/33/02/179253302.db2.gz HMRFOEJLMKOTKM-DJIMGWMZSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223950 179253329 /nfs/dbraw/zinc/25/33/29/179253329.db2.gz ZFZXVBZHJINOMN-HUUCEWRRSA-N 2 0 265.445 2.077 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2C[C@H](C3CC3)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225396 179253942 /nfs/dbraw/zinc/25/39/42/179253942.db2.gz RVKASVJOFZVBDT-GVDBMIGSSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259278 179257738 /nfs/dbraw/zinc/25/77/38/179257738.db2.gz GPWJOCOWKYWPGZ-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@](C)(C3CC3)C2)CC1 ZINC000086290272 179265382 /nfs/dbraw/zinc/26/53/82/179265382.db2.gz QZIJSTYKLRGVOC-KRWDZBQOSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259264 179257932 /nfs/dbraw/zinc/25/79/32/179257932.db2.gz NMODZGHGFFQCMW-RRFJBIMHSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259207 179258546 /nfs/dbraw/zinc/25/85/46/179258546.db2.gz ZFLSCRZRLAVYLQ-NJAFHUGGSA-N 2 0 293.499 2.427 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CC3(CCCC3)NC[C@H]2C)CC1 ZINC000086259176 179258680 /nfs/dbraw/zinc/25/86/80/179258680.db2.gz RSLCPQBEDIJJCL-OAHLLOKOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1CCCC[NH+](C)C ZINC000086261079 179260264 /nfs/dbraw/zinc/26/02/64/179260264.db2.gz XVEIEQMMYQTHJD-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291373 179265592 /nfs/dbraw/zinc/26/55/92/179265592.db2.gz WWQGWETVOVRNCY-QLFBSQMISA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H](C)[C@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290459 179265808 /nfs/dbraw/zinc/26/58/08/179265808.db2.gz NCMGODXOFYGGGZ-QLFBSQMISA-N 2 0 255.450 2.037 10 0 CEAERP C1CCC([C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCC[NH2+]2)CC1 ZINC000086297642 179267280 /nfs/dbraw/zinc/26/72/80/179267280.db2.gz AOJSTCXFGNVLOZ-CVEARBPZSA-N 2 0 266.429 2.410 10 0 CEAERP [NH3+][C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086399734 179285305 /nfs/dbraw/zinc/28/53/05/179285305.db2.gz ROIKHTZIIOOGLB-NEPJUHHUSA-N 2 0 269.186 2.419 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N(C)C3CC[NH+](C)CC3)nc21 ZINC000086442034 179293929 /nfs/dbraw/zinc/29/39/29/179293929.db2.gz UWCXOPMIVCCYKY-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC(C)[N@H+](C)CCCCNC1=[NH+]C[C@H](C)CS1 ZINC000086633232 179314857 /nfs/dbraw/zinc/31/48/57/179314857.db2.gz HJOATUUOYDQKEJ-LBPRGKRZSA-N 2 0 257.447 2.435 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086818816 179347330 /nfs/dbraw/zinc/34/73/30/179347330.db2.gz PPFQJQYCHDGICC-CABCVRRESA-N 2 0 260.381 2.064 10 0 CEAERP C[C@H](CN[C@@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818834 179348499 /nfs/dbraw/zinc/34/84/99/179348499.db2.gz NEKOTMUPEZYDDP-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCC[C@@](C[NH3+])(N2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819540 179348513 /nfs/dbraw/zinc/34/85/13/179348513.db2.gz IKUSGCBUIXYVEE-ZWKOTPCHSA-N 2 0 287.451 2.289 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000086835828 179349637 /nfs/dbraw/zinc/34/96/37/179349637.db2.gz IWCGCZNTYGSZDG-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)c2cccc(F)c2)CC1 ZINC000086848387 179356389 /nfs/dbraw/zinc/35/63/89/179356389.db2.gz DGCWZRWOFQDPQJ-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP COCCN(CC(C)C)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848010 179356758 /nfs/dbraw/zinc/35/67/58/179356758.db2.gz XEEZIWQOUOZEOD-QGZVFWFLSA-N 2 0 299.503 2.183 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NC)CC1 ZINC000086840576 179352730 /nfs/dbraw/zinc/35/27/30/179352730.db2.gz VUHLKFBPRXTZMO-CABCVRRESA-N 2 0 283.460 2.001 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000086848905 179358028 /nfs/dbraw/zinc/35/80/28/179358028.db2.gz GTDSIMXFVKWGFN-XHSDSOJGSA-N 2 0 299.528 2.406 10 0 CEAERP CC[C@@H]1CN(CC[NH2+]Cc2ccc(C)s2)CC[N@@H+]1C ZINC000104138804 185906581 /nfs/dbraw/zinc/90/65/81/185906581.db2.gz CTQVHXFRPFXRSS-CQSZACIVSA-N 2 0 281.469 2.172 10 0 CEAERP c1[nH]c2ccccc2c1CC[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128881826 187395789 /nfs/dbraw/zinc/39/57/89/187395789.db2.gz ADGLBVVYORXMMH-CQSZACIVSA-N 2 0 257.381 2.442 10 0 CEAERP COCC[N@H+](CC(C)(C)C(C)(C)[NH3+])[C@H](C)C1CC1 ZINC000087630541 179459916 /nfs/dbraw/zinc/45/99/16/179459916.db2.gz VIVBJMNYVQYFHC-GFCCVEGCSA-N 2 0 256.434 2.497 10 0 CEAERP CC(C)[C@H](C[NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000087535453 179442766 /nfs/dbraw/zinc/44/27/66/179442766.db2.gz AVPGNCHOGNPIOI-OAHLLOKOSA-N 2 0 267.461 2.168 10 0 CEAERP C(CN1CC[NH2+]CC12CCCCC2)C[NH+]1CCCC1 ZINC000088396472 179591281 /nfs/dbraw/zinc/59/12/81/179591281.db2.gz CVVLDTMLTKACKN-UHFFFAOYSA-N 2 0 265.445 2.080 10 0 CEAERP C[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000400563633 233179079 /nfs/dbraw/zinc/17/90/79/233179079.db2.gz IKFLCBGTMMYVCS-INMHGKMJSA-N 2 0 276.424 2.427 10 0 CEAERP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414587 233177323 /nfs/dbraw/zinc/17/73/23/233177323.db2.gz VADMUNJMIUQYEA-CYGHRXIMSA-N 2 0 287.451 2.237 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456771 179794520 /nfs/dbraw/zinc/79/45/20/179794520.db2.gz KCPFQEXNUMJVDX-HZPDHXFCSA-N 2 0 297.487 2.188 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH+]1CCc2ccccc2CC1 ZINC000089483521 179801620 /nfs/dbraw/zinc/80/16/20/179801620.db2.gz NZRPOXLUSDGRJA-IAGOWNOFSA-N 2 0 258.409 2.462 10 0 CEAERP CC[NH2+]CC1(CN2CCC[N@H+](C)CC2)CCC(C)CC1 ZINC000089579749 179824160 /nfs/dbraw/zinc/82/41/60/179824160.db2.gz NQRDWIPTHNIVPY-UHFFFAOYSA-N 2 0 281.488 2.430 10 0 CEAERP CC(C)C[NH2+]Cc1cncn1C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000090241964 179938998 /nfs/dbraw/zinc/93/89/98/179938998.db2.gz LMYLOLQZXQDXTP-HNNXBMFYSA-N 2 0 278.444 2.359 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2(C)C)cc1C ZINC000090334867 179964671 /nfs/dbraw/zinc/96/46/71/179964671.db2.gz YHMXMLTUOSYVGF-GJZGRUSLSA-N 2 0 274.408 2.433 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]Cc1cc(C)c(C)s1 ZINC000090567196 180006967 /nfs/dbraw/zinc/00/69/67/180006967.db2.gz CLNFNXBAMHNIKI-HIFRSBDPSA-N 2 0 282.453 2.469 10 0 CEAERP CCCCCNC(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693427 180025582 /nfs/dbraw/zinc/02/55/82/180025582.db2.gz ONFHORWPEXQFCB-CABCVRRESA-N 2 0 283.460 2.145 10 0 CEAERP CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000090693747 180025801 /nfs/dbraw/zinc/02/58/01/180025801.db2.gz HTRQOKWWHLSNCG-QKPAOTATSA-N 2 0 266.429 2.408 10 0 CEAERP C(C[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693641 180026452 /nfs/dbraw/zinc/02/64/52/180026452.db2.gz TZNLKMPFUXZBCS-BZUAXINKSA-N 2 0 266.429 2.410 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH2+][C@@H](C)CC[NH+](C)C)O2 ZINC000090897739 180056929 /nfs/dbraw/zinc/05/69/29/180056929.db2.gz QUYJJSKYNVXJHV-ZFWWWQNUSA-N 2 0 262.397 2.228 10 0 CEAERP c1ccc2c(c1)CC[NH+](CC[C@@H]1CSCC[NH2+]1)CC2 ZINC000091292338 180123769 /nfs/dbraw/zinc/12/37/69/180123769.db2.gz NGBIZDZDJYDTOJ-MRXNPFEDSA-N 2 0 276.449 2.182 10 0 CEAERP c1ccc([C@@H]2C[C@H]2[NH2+]CC[C@@H]2CSCC[NH2+]2)cc1 ZINC000091292193 180123826 /nfs/dbraw/zinc/12/38/26/180123826.db2.gz RLBJJGYAMXJXRO-QLFBSQMISA-N 2 0 262.422 2.227 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(CC2(C[NH3+])CCCCCC2)C1 ZINC000091432885 180153483 /nfs/dbraw/zinc/15/34/83/180153483.db2.gz AJKFHDWDRAXKPP-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH2+]Cc1cccc(CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091430850 180153624 /nfs/dbraw/zinc/15/36/24/180153624.db2.gz MZCYQZDWQCKYSO-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[NH2+]Cc1csc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091449937 180158179 /nfs/dbraw/zinc/15/81/79/180158179.db2.gz JENCCPWDNYSXRI-CYBMUJFWSA-N 2 0 282.457 2.173 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449861 180158226 /nfs/dbraw/zinc/15/82/26/180158226.db2.gz AXMFTITUTYUWFP-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091467546 180164504 /nfs/dbraw/zinc/16/45/04/180164504.db2.gz FQWSWZDQIIBPKB-JKSUJKDBSA-N 2 0 262.397 2.014 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392312 180144672 /nfs/dbraw/zinc/14/46/72/180144672.db2.gz VEBYLJDQUQYSRT-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392309 180144791 /nfs/dbraw/zinc/14/47/91/180144791.db2.gz XCONYSFBAJVMMN-GVDBMIGSSA-N 2 0 275.440 2.491 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C2(C[NH3+])CCC(C)(C)CC2)C1 ZINC000091393338 180145782 /nfs/dbraw/zinc/14/57/82/180145782.db2.gz BCHTYTVEXCWSFD-CQSZACIVSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000091403989 180147282 /nfs/dbraw/zinc/14/72/82/180147282.db2.gz UTVKLXFMUYSRRC-QWHCGFSZSA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)C[N@H+](CCO)Cc1ccccc1 ZINC000091403106 180147636 /nfs/dbraw/zinc/14/76/36/180147636.db2.gz GRFIKGPVZKXYQQ-CQSZACIVSA-N 2 0 264.413 2.115 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091427980 180152666 /nfs/dbraw/zinc/15/26/66/180152666.db2.gz PFROYHQVOUKYSL-LBPRGKRZSA-N 2 0 282.457 2.173 10 0 CEAERP CCC(CC)([C@@H](Cc1cnn(C)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635110 180211705 /nfs/dbraw/zinc/21/17/05/180211705.db2.gz JJKHPKOAWWYCJM-OAHLLOKOSA-N 2 0 278.444 2.205 10 0 CEAERP CC1CCC([C@H](O)Cc2c[nH+]ccc2N)([NH+](C)C)CC1 ZINC000091648495 180216656 /nfs/dbraw/zinc/21/66/56/180216656.db2.gz GVSMRBQHTCNSJT-DSSZZKGTSA-N 2 0 277.412 2.078 10 0 CEAERP CC[NH+](CC)CC[C@@H]([NH3+])Cc1ccncc1Cl ZINC000091715757 180231970 /nfs/dbraw/zinc/23/19/70/180231970.db2.gz FWTNYZDPPRCSLI-GFCCVEGCSA-N 2 0 255.793 2.337 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1ccc(OC)c(F)c1 ZINC000091715696 180232724 /nfs/dbraw/zinc/23/27/24/180232724.db2.gz NWTIDLAXUOLFDY-ZDUSSCGKSA-N 2 0 268.376 2.436 10 0 CEAERP [NH3+][C@H](Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720474 180235308 /nfs/dbraw/zinc/23/53/08/180235308.db2.gz AFRCRRSJVFDYBA-KFWWJZLASA-N 2 0 280.799 2.073 10 0 CEAERP CCC[N@H+](Cc1cncn1CC)C1CCC([NH3+])CC1 ZINC000091851667 180272907 /nfs/dbraw/zinc/27/29/07/180272907.db2.gz KQMDNQCFDZNSBH-UHFFFAOYSA-N 2 0 264.417 2.385 10 0 CEAERP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1O ZINC000091844309 180269445 /nfs/dbraw/zinc/26/94/45/180269445.db2.gz HXQLVJMVZSFZIA-UHFFFAOYSA-N 2 0 264.369 2.103 10 0 CEAERP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C1CCC([NH3+])CC1 ZINC000091846394 180270034 /nfs/dbraw/zinc/27/00/34/180270034.db2.gz SBHSKPRLGFCVCP-SLTAFYQDSA-N 3 0 253.434 2.063 10 0 CEAERP CC[N@H+](Cc1c(C)nn(C)c1C)C1CCC([NH3+])CC1 ZINC000091849619 180271034 /nfs/dbraw/zinc/27/10/34/180271034.db2.gz SUECLDMLHCRWHO-UHFFFAOYSA-N 2 0 264.417 2.129 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@H]1CCCCC[C@@H]1O ZINC000091850738 180271764 /nfs/dbraw/zinc/27/17/64/180271764.db2.gz XIUXNPXDBMXNEF-WUCCLRPBSA-N 2 0 254.418 2.272 10 0 CEAERP CCN(C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850408 180272279 /nfs/dbraw/zinc/27/22/79/180272279.db2.gz GWMIKYRZHIGUKQ-QGBVMSHASA-N 2 0 295.471 2.366 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)CC(=O)N2CCCCCC2)CC1 ZINC000091870296 180277220 /nfs/dbraw/zinc/27/72/20/180277220.db2.gz NDSUUCFSBYFCEJ-UHFFFAOYSA-N 2 0 295.471 2.242 10 0 CEAERP CCC[NH+]1CCC(O)([C@@]2(C[NH3+])CC[C@@H](CC)C2)CC1 ZINC000091906360 180283788 /nfs/dbraw/zinc/28/37/88/180283788.db2.gz WYUUTMTWKWLTCO-CABCVRRESA-N 2 0 268.445 2.379 10 0 CEAERP CCC[NH+]1CCC(O)([C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091906368 180283866 /nfs/dbraw/zinc/28/38/66/180283866.db2.gz OFIXCHKMNSHZKY-HUUCEWRRSA-N 2 0 268.445 2.379 10 0 CEAERP Cc1ccc(OCC[NH+]2CCCC2)c(C[NH2+]C(C)C)n1 ZINC000091995523 180302049 /nfs/dbraw/zinc/30/20/49/180302049.db2.gz WSKKAWWHYXBHHX-UHFFFAOYSA-N 2 0 277.412 2.363 10 0 CEAERP Cc1ccc(OCC[NH+](C)C)c(C[NH2+]C(C)(C)C)n1 ZINC000091995995 180302096 /nfs/dbraw/zinc/30/20/96/180302096.db2.gz CCPSHGHWXCYCKD-UHFFFAOYSA-N 2 0 265.401 2.219 10 0 CEAERP C[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000092003341 180304558 /nfs/dbraw/zinc/30/45/58/180304558.db2.gz VXOLROQVHPPUPO-OLZOCXBDSA-N 2 0 294.830 2.127 10 0 CEAERP CCCc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1C[NH3+] ZINC000092004863 180305441 /nfs/dbraw/zinc/30/54/41/180305441.db2.gz SOCFOXCIDDIYFE-NEPJUHHUSA-N 2 0 294.468 2.227 10 0 CEAERP C[NH2+]Cc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092089361 180321659 /nfs/dbraw/zinc/32/16/59/180321659.db2.gz SECMBDCQJZAUDM-OKILXGFUSA-N 2 0 262.397 2.373 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]CCSc2ccccc2)C1 ZINC000092242696 180351345 /nfs/dbraw/zinc/35/13/45/180351345.db2.gz XWBWPNPBBPBKGB-ZDUSSCGKSA-N 2 0 250.411 2.320 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@H]2COc3ccccc32)CC1 ZINC000092300440 180358587 /nfs/dbraw/zinc/35/85/87/180358587.db2.gz DDJAJQYCFRZNMT-HNNXBMFYSA-N 2 0 274.408 2.484 10 0 CEAERP c1ccc2c(c1)OC[C@H]2C[NH2+]CCC[NH+]1CCCC1 ZINC000092300900 180358827 /nfs/dbraw/zinc/35/88/27/180358827.db2.gz BJFWRUYLJXUGTE-CQSZACIVSA-N 2 0 260.381 2.238 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@H](CO)C(C)C)CC1 ZINC000092392766 180375824 /nfs/dbraw/zinc/37/58/24/180375824.db2.gz GTZFLONYFUAQDD-UKRRQHHQSA-N 2 0 256.434 2.103 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NC1=[NH+][C@@H](C(C)C)CS1 ZINC000092402344 180377166 /nfs/dbraw/zinc/37/71/66/180377166.db2.gz ZNGWTUOFWMAEFZ-NWDGAFQWSA-N 2 0 257.447 2.290 10 0 CEAERP Cc1cccc(CN2CCC[N@H+](CCCCC[NH3+])CC2)n1 ZINC000092427834 180383548 /nfs/dbraw/zinc/38/35/48/180383548.db2.gz QXHGHZQRSRMTRP-UHFFFAOYSA-N 2 0 290.455 2.027 10 0 CEAERP C[NH2+]Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c2ccccc2n1 ZINC000109589606 186264734 /nfs/dbraw/zinc/26/47/34/186264734.db2.gz JTLYJCVHHHYCDQ-CQSZACIVSA-N 2 0 284.407 2.095 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1cc(C[NH3+])nc2ccccc21 ZINC000109589622 186265323 /nfs/dbraw/zinc/26/53/23/186265323.db2.gz VZSSUSXHWRWJPN-ZDUSSCGKSA-N 2 0 284.407 2.081 10 0 CEAERP CCCC1(C[N@@H+]2CC[C@@H](N3CCCC3)C2)CC[NH2+]CC1 ZINC000110371014 186294409 /nfs/dbraw/zinc/29/44/09/186294409.db2.gz YNDKCPHMGVTVRC-MRXNPFEDSA-N 2 0 279.472 2.326 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618003 186305534 /nfs/dbraw/zinc/30/55/34/186305534.db2.gz UMFMJBUJPFIATR-UYSNPLJNSA-N 2 0 297.487 2.234 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2C[C@H]1CCCC[N@@H+]1C ZINC000110629946 186308034 /nfs/dbraw/zinc/30/80/34/186308034.db2.gz GPAZBKMURLFDDQ-SNVBAGLBSA-N 2 0 292.358 2.251 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1F)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705213 186314068 /nfs/dbraw/zinc/31/40/68/186314068.db2.gz ATTKKHCDIYAISO-WFASDCNBSA-N 2 0 279.403 2.240 10 0 CEAERP CCOc1cccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711623 186315583 /nfs/dbraw/zinc/31/55/83/186315583.db2.gz VNRXJGJVIBSQHT-MRXNPFEDSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CN1CC[N@@H+](C)C(C)(C)C1 ZINC000110716376 186316669 /nfs/dbraw/zinc/31/66/69/186316669.db2.gz BOVAXKFFGRXFIL-OAHLLOKOSA-N 2 0 261.413 2.021 10 0 CEAERP C[N@@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000110742765 186318628 /nfs/dbraw/zinc/31/86/28/186318628.db2.gz ZKQQIVGOZKEKQJ-OAHLLOKOSA-N 2 0 289.423 2.019 10 0 CEAERP CC[C@@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CC[N@@H+]1C ZINC000110746385 186319387 /nfs/dbraw/zinc/31/93/87/186319387.db2.gz ZKHZMXXTDCTQHA-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]1CN(Cc2cccc(C[NH2+]C3CC3)c2)CC[N@@H+]1C ZINC000110751485 186320216 /nfs/dbraw/zinc/32/02/16/186320216.db2.gz GMHWLJNPINIZFN-CQSZACIVSA-N 2 0 273.424 2.075 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C)C[NH2+]Cc2cccs2)C[C@@H]1C ZINC000110756717 186320591 /nfs/dbraw/zinc/32/05/91/186320591.db2.gz HYOBNFMWFJXTRB-KBPBESRZSA-N 2 0 281.469 2.252 10 0 CEAERP [NH3+]C[C@H](c1cccc(F)c1F)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000111040032 186346809 /nfs/dbraw/zinc/34/68/09/186346809.db2.gz FARAHPDFUFMUEO-IUODEOHRSA-N 2 0 295.377 2.135 10 0 CEAERP Cc1cc(CN(C)CCC[NH+](C)C)oc1C[NH2+]C(C)C ZINC000111150064 186360385 /nfs/dbraw/zinc/36/03/85/186360385.db2.gz QGTMUUYGACYVQI-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)CC[NH+](C)C ZINC000111129651 186356085 /nfs/dbraw/zinc/35/60/85/186356085.db2.gz PPMHYAGZSNTEGG-JKSUJKDBSA-N 2 0 263.429 2.267 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000111132754 186356212 /nfs/dbraw/zinc/35/62/12/186356212.db2.gz TWBJFOABIXEXJG-UHFFFAOYSA-N 2 0 255.450 2.024 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccccc1C(F)(F)F ZINC000111132974 186356401 /nfs/dbraw/zinc/35/64/01/186356401.db2.gz VUMUMAHAPOWDOC-ZDUSSCGKSA-N 2 0 289.345 2.199 10 0 CEAERP CC[NH2+]CC1(CN(C)CC[NH+](C)C)CCCCC1 ZINC000111147201 186358333 /nfs/dbraw/zinc/35/83/33/186358333.db2.gz DWBPOBCIKDENGI-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP C[NH2+]C[C@](C)(CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147518 186358970 /nfs/dbraw/zinc/35/89/70/186358970.db2.gz OTHCBXCJKJOORK-QGZVFWFLSA-N 2 0 277.456 2.047 10 0 CEAERP C[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000111147045 186359044 /nfs/dbraw/zinc/35/90/44/186359044.db2.gz PYTJAHRMKRBEDC-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN(C)CCC[NH+](C)C ZINC000111147991 186359065 /nfs/dbraw/zinc/35/90/65/186359065.db2.gz OKTJMRASZABNCO-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CCC(CC)(C[NH2+]C(C)C)CN(C)CC[NH+](C)C ZINC000111147101 186359097 /nfs/dbraw/zinc/35/90/97/186359097.db2.gz FHXKPBJMXRULGP-UHFFFAOYSA-N 2 0 257.466 2.284 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)(C)C)CN(C)CC[NH+](C)C ZINC000111146955 186359302 /nfs/dbraw/zinc/35/93/02/186359302.db2.gz HFGJBIDTGQZXME-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)N(C)CC1CCOCC1 ZINC000111175614 186365155 /nfs/dbraw/zinc/36/51/55/186365155.db2.gz ITUXHXZZTOGIMT-OAHLLOKOSA-N 2 0 254.418 2.121 10 0 CEAERP C[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCOC1 ZINC000111175061 186365555 /nfs/dbraw/zinc/36/55/55/186365555.db2.gz KYVUEJBEXBWBRG-HRCADAONSA-N 2 0 298.471 2.281 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)CC1CCOCC1 ZINC000111175551 186365589 /nfs/dbraw/zinc/36/55/89/186365589.db2.gz ATWZABBBHUFJLR-ZDUSSCGKSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@H+](C[C@@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCOC1 ZINC000111175067 186365609 /nfs/dbraw/zinc/36/56/09/186365609.db2.gz KYVUEJBEXBWBRG-JYJNAYRXSA-N 2 0 298.471 2.281 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](C)[C@@H]2CCSC2)CCCOC1 ZINC000111325032 186398093 /nfs/dbraw/zinc/39/80/93/186398093.db2.gz HYQQWMGSTAKQLH-HUUCEWRRSA-N 2 0 286.485 2.220 10 0 CEAERP CCC(CC)[N@H+](CCO)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111327814 186399554 /nfs/dbraw/zinc/39/95/54/186399554.db2.gz WBOWSOQCSGALFV-QGZVFWFLSA-N 2 0 298.471 2.018 10 0 CEAERP COCCC[N@H+](C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000111329213 186399971 /nfs/dbraw/zinc/39/99/71/186399971.db2.gz AMNGQYHONDJFHD-MRXNPFEDSA-N 2 0 286.460 2.140 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000111239056 186374360 /nfs/dbraw/zinc/37/43/60/186374360.db2.gz DHQNIBBJCKNYSQ-UHFFFAOYSA-N 2 0 263.429 2.178 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000111500834 186425060 /nfs/dbraw/zinc/42/50/60/186425060.db2.gz REBHKGJMJYGNOC-UKRRQHHQSA-N 2 0 291.414 2.390 10 0 CEAERP CCCC1(C[NH2+]CCc2cscn2)CC[NH2+]CC1 ZINC000111630372 186434610 /nfs/dbraw/zinc/43/46/10/186434610.db2.gz MUEKPUGKYKUONG-UHFFFAOYSA-N 2 0 267.442 2.445 10 0 CEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CCOC1CC[NH2+]CC1 ZINC000111761124 186454958 /nfs/dbraw/zinc/45/49/58/186454958.db2.gz YGDWQQRQYUQMOG-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000093452707 539848872 /nfs/dbraw/zinc/84/88/72/539848872.db2.gz JXLGATKKFURHDF-XQLPTFJDSA-N 2 0 252.402 2.066 10 0 CEAERP CC(C)[NH+](C[C@@H](O)c1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000675059147 540079512 /nfs/dbraw/zinc/07/95/12/540079512.db2.gz LMTCGLFKXIMJKL-QGZVFWFLSA-N 2 0 276.424 2.485 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1cccc(F)c1Br ZINC000575439378 366287435 /nfs/dbraw/zinc/28/74/35/366287435.db2.gz HUIDNHYTWFZQPS-SECBINFHSA-N 2 0 261.138 2.327 10 0 CEAERP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCS1 ZINC000137210333 540531959 /nfs/dbraw/zinc/53/19/59/540531959.db2.gz FUOPYBQZUTVHCP-LBPRGKRZSA-N 2 0 262.422 2.270 10 0 CEAERP c1csc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178967639 189157777 /nfs/dbraw/zinc/15/77/77/189157777.db2.gz LHFAGMYXWHAGQO-ZDUSSCGKSA-N 2 0 266.410 2.121 10 0 CEAERP Cc1cccc2c(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)cc[nH+]c12 ZINC000301715308 201155238 /nfs/dbraw/zinc/15/52/38/201155238.db2.gz MPEQNAIMFDYMNF-JKSUJKDBSA-N 2 0 283.375 2.062 10 0 CEAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094074108 364251241 /nfs/dbraw/zinc/25/12/41/364251241.db2.gz WNUPTKPQWWHFRK-HZPDHXFCSA-N 2 0 261.413 2.021 10 0 CEAERP CCC[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+](C)C ZINC000162129304 367138603 /nfs/dbraw/zinc/13/86/03/367138603.db2.gz QNBVXYBKEFJHPK-INIZCTEOSA-N 2 0 291.439 2.095 10 0 CEAERP C[C@H]1C[N@H+](CCCOCc2ccccc2)C[C@@H]1C[NH3+] ZINC000631838850 367579482 /nfs/dbraw/zinc/57/94/82/367579482.db2.gz WDJCWRDVLLRQJD-HOCLYGCPSA-N 2 0 262.397 2.120 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249384931 371318035 /nfs/dbraw/zinc/31/80/35/371318035.db2.gz PPLBFTGMEIOBHU-SJORKVTESA-N 2 0 279.472 2.421 10 0 CEAERP [NH3+]C1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000261542949 371639631 /nfs/dbraw/zinc/63/96/31/371639631.db2.gz HIAVDZOJDBNCRK-WWDZGPRUSA-N 3 0 287.451 2.368 10 0 CEAERP C[NH2+]C[C@H]1CCCN(c2cc[nH+]c(C)c2Cl)C1 ZINC000261552751 371643780 /nfs/dbraw/zinc/64/37/80/371643780.db2.gz NIWDNBYOIHQLNG-LLVKDONJSA-N 2 0 253.777 2.479 10 0 CEAERP CCC1([NH+](C)C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000640015812 371736544 /nfs/dbraw/zinc/73/65/44/371736544.db2.gz OKWQLEGVYHQVOW-GJZGRUSLSA-N 2 0 268.445 2.344 10 0 CEAERP COc1ccc2oc(CN3C[C@@H](C)[C@@H]([NH3+])C3)cc2c1 ZINC000262071188 371817425 /nfs/dbraw/zinc/81/74/25/371817425.db2.gz SAXXBOKSVFQXRO-YGRLFVJLSA-N 2 0 260.337 2.220 10 0 CEAERP Cc1cccc(C)c1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000262083951 371821925 /nfs/dbraw/zinc/82/19/25/371821925.db2.gz FRWBSQMJWAAHFE-ARFHVFGLSA-N 2 0 274.408 2.351 10 0 CEAERP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1C[NH3+] ZINC000641818046 372765598 /nfs/dbraw/zinc/76/55/98/372765598.db2.gz CEWVLRWYLLQUJM-RDBSUJKOSA-N 2 0 252.402 2.005 10 0 CEAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CCOCC1 ZINC000573436944 299441023 /nfs/dbraw/zinc/44/10/23/299441023.db2.gz PYRWIWVIGONCSP-UONOGXRCSA-N 2 0 254.418 2.171 10 0 CEAERP CC[NH2+][C@@H](CO)CC[N@H+](CC(C)C)C(CC)CC ZINC000093325677 184665016 /nfs/dbraw/zinc/66/50/16/184665016.db2.gz AFBVFDHCEHKSGD-CQSZACIVSA-N 2 0 258.450 2.494 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094438464 184799459 /nfs/dbraw/zinc/79/94/59/184799459.db2.gz SEPUROSGNBAMAY-KGLIPLIRSA-N 2 0 279.453 2.226 10 0 CEAERP C[C@@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400511185 533547887 /nfs/dbraw/zinc/54/78/87/533547887.db2.gz FNOAMRUZERRZRU-AHCXZYCDSA-N 2 0 287.451 2.095 10 0 CEAERP C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000400718510 533560411 /nfs/dbraw/zinc/56/04/11/533560411.db2.gz NWABMOPULYJADO-ZIAGYGMSSA-N 2 0 277.412 2.037 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H](C)[C@H](C)C[NH3+])CC2)c1C ZINC000093068247 135079063 /nfs/dbraw/zinc/07/90/63/135079063.db2.gz JOCDDBUGNQJXNN-GDBMZVCRSA-N 2 0 275.440 2.409 10 0 CEAERP NC(=[NH2+])c1c(Cl)cccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439596 135087791 /nfs/dbraw/zinc/08/77/91/135087791.db2.gz WJNRGHHVXUGUBZ-LLVKDONJSA-N 2 0 292.814 2.299 10 0 CEAERP c1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ncc1C[NH2+]C1CC1 ZINC000094443213 135089041 /nfs/dbraw/zinc/08/90/41/135089041.db2.gz JKZIXRGUFQKGAD-MRXNPFEDSA-N 2 0 286.423 2.008 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000396621714 395217992 /nfs/dbraw/zinc/21/79/92/395217992.db2.gz VCXRSPMVTRCEPQ-ATLSCFEFSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000647796865 395756539 /nfs/dbraw/zinc/75/65/39/395756539.db2.gz QBECDYAOAMCBSK-LKAFINOVSA-N 2 0 266.429 2.168 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037623035 400117362 /nfs/dbraw/zinc/11/73/62/400117362.db2.gz YGEPZKJXVUAQMF-NFOMZHRRSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223146793 153314816 /nfs/dbraw/zinc/31/48/16/153314816.db2.gz VYPXURNRGMILLR-RRFJBIMHSA-N 2 0 255.450 2.035 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000263234353 154042801 /nfs/dbraw/zinc/04/28/01/154042801.db2.gz NUQSZGDMVBWXHY-BSDSXHPESA-N 2 0 288.435 2.273 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030666 165187328 /nfs/dbraw/zinc/18/73/28/165187328.db2.gz ZGLJTJDJHHOINB-MRXNPFEDSA-N 2 0 295.471 2.050 10 0 CEAERP CC1CC[NH+](CCC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000022156137 171362701 /nfs/dbraw/zinc/36/27/01/171362701.db2.gz GFXYDSJRWTVAET-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151384 172014109 /nfs/dbraw/zinc/01/41/09/172014109.db2.gz CJOWRLLFGCOLSW-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCC[NH+](C)C)CC1 ZINC000037210221 173031782 /nfs/dbraw/zinc/03/17/82/173031782.db2.gz PNPPJTPGBKNLIM-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CC(C)(C)N(C)C)CC1 ZINC000037220635 173039632 /nfs/dbraw/zinc/03/96/32/173039632.db2.gz QQVKUJVNISWCRB-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CC(C)(C)N(C)C)CC1 ZINC000037220629 173039792 /nfs/dbraw/zinc/03/97/92/173039792.db2.gz RHIYSZDHEPSQCQ-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)CCN(CCC[NH3+])c1cccc(F)c1 ZINC000037298416 173102483 /nfs/dbraw/zinc/10/24/83/173102483.db2.gz VQMVVPQHYWNTFX-UHFFFAOYSA-N 2 0 267.392 2.323 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000040622560 174355644 /nfs/dbraw/zinc/35/56/44/174355644.db2.gz RVBXLQYALQDQAX-HZPDHXFCSA-N 3 0 281.488 2.427 10 0 CEAERP Nc1c(Nc2cc[nH+]cc2)ncnc1Nc1cc[nH+]cc1 ZINC000040687480 174375681 /nfs/dbraw/zinc/37/56/81/174375681.db2.gz BEBZOWWDOAVUDC-UHFFFAOYSA-N 2 0 279.307 2.336 10 0 CEAERP CCC[C@@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693777 174377773 /nfs/dbraw/zinc/37/77/73/174377773.db2.gz JIUTVPRNFCBAEJ-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000040717011 174384274 /nfs/dbraw/zinc/38/42/74/174384274.db2.gz YSGSXQMYODZMRA-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP COc1cc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cc(OC)c1 ZINC000040749191 174394080 /nfs/dbraw/zinc/39/40/80/174394080.db2.gz JXSICDFCNPKGNS-AGUYFDCRSA-N 2 0 276.380 2.158 10 0 CEAERP C[C@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000040767730 174398155 /nfs/dbraw/zinc/39/81/55/174398155.db2.gz NRKUNMSHTOQDIK-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP COc1cccnc1NCCC[NH2+]Cc1cccnc1 ZINC000128350534 414809864 /nfs/dbraw/zinc/80/98/64/414809864.db2.gz ISMALNSNKGUNJJ-UHFFFAOYSA-N 2 0 272.352 2.077 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[NH+](CC3CC3)CC2)s1 ZINC000043242169 174990212 /nfs/dbraw/zinc/99/02/12/174990212.db2.gz NYIQMSUXXOCEIR-CZUORRHYSA-N 2 0 293.480 2.472 10 0 CEAERP c1cc(N[C@H]2CCC[NH2+]C2)ccc1C[NH+]1CCCC1 ZINC000043326093 175007414 /nfs/dbraw/zinc/00/74/14/175007414.db2.gz DAMUMOJFFIANPY-INIZCTEOSA-N 2 0 259.397 2.446 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](CC3CC3)CC2)o1 ZINC000043364840 175025811 /nfs/dbraw/zinc/02/58/11/175025811.db2.gz PXVMSDPFODKWJQ-XJKSGUPXSA-N 2 0 277.412 2.004 10 0 CEAERP [NH3+]C[C@@H](c1ccc(Cl)c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000043390527 175033841 /nfs/dbraw/zinc/03/38/41/175033841.db2.gz NHINNXXOOLHKPG-HNNXBMFYSA-N 2 0 297.805 2.259 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1C ZINC000043811013 175110053 /nfs/dbraw/zinc/11/00/53/175110053.db2.gz UXDPHMFLMGDFCX-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818020 175113002 /nfs/dbraw/zinc/11/30/02/175113002.db2.gz MOJPIQRJRKXYRU-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H]1CCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818530 175113910 /nfs/dbraw/zinc/11/39/10/175113910.db2.gz DLAXFWGAKYGDHE-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H](CN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000043897233 175120029 /nfs/dbraw/zinc/12/00/29/175120029.db2.gz JAECRKFHWYAHQI-QGZVFWFLSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967514 175128618 /nfs/dbraw/zinc/12/86/18/175128618.db2.gz XWKLUVJQDHSXAS-RHSMWYFYSA-N 2 0 273.424 2.116 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747329 175242988 /nfs/dbraw/zinc/24/29/88/175242988.db2.gz WIXDUPCQTNTCEU-BLLLJJGKSA-N 2 0 260.381 2.311 10 0 CEAERP CCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC000045072522 175302023 /nfs/dbraw/zinc/30/20/23/175302023.db2.gz VEVCXTLGVNRXGK-GJZGRUSLSA-N 2 0 283.460 2.003 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](Cn2c(N)[nH+]c3ccccc32)C1 ZINC000045136012 175313638 /nfs/dbraw/zinc/31/36/38/175313638.db2.gz GTLQLWMJHCREHR-GFCCVEGCSA-N 2 0 258.369 2.349 10 0 CEAERP CCCC[N@H+](C)CCCC[C@](C)([NH3+])C(=O)OCC ZINC000045368198 175362794 /nfs/dbraw/zinc/36/27/94/175362794.db2.gz OWAXMXUFQANHBA-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[NH+]1CCC(C)CC1)C(N)=O ZINC000045374839 175365253 /nfs/dbraw/zinc/36/52/53/175365253.db2.gz BAUDCFWFPIJXCL-MRXNPFEDSA-N 2 0 283.460 2.132 10 0 CEAERP CCCCC[N@H+](C)CCC[C@@](C)([NH3+])C(=O)OCC ZINC000045388098 175373837 /nfs/dbraw/zinc/37/38/37/175373837.db2.gz OAZKHYFADIHTDH-CQSZACIVSA-N 2 0 258.406 2.169 10 0 CEAERP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]C(C)C)C(N)=O ZINC000045388199 175374177 /nfs/dbraw/zinc/37/41/77/175374177.db2.gz JFKFLSDRFLLXEU-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@@H+]1CCC[C@@H](CC)C1)C(N)=O ZINC000045393391 175376242 /nfs/dbraw/zinc/37/62/42/175376242.db2.gz NJCVEUHATYQSIC-ZBFHGGJFSA-N 2 0 283.460 2.132 10 0 CEAERP COCC1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000070543014 175978385 /nfs/dbraw/zinc/97/83/85/175978385.db2.gz SZBDNSZXNGEDLN-UHFFFAOYSA-N 2 0 262.397 2.046 10 0 CEAERP C[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)s1 ZINC000070600528 175996603 /nfs/dbraw/zinc/99/66/03/175996603.db2.gz AEIMXCCYTUYLGW-RKDXNWHRSA-N 2 0 289.242 2.456 10 0 CEAERP C[N@H+](C[C@@H](C[NH3+])c1ccccc1)C[C@@H]1CCCOC1 ZINC000070943336 176015570 /nfs/dbraw/zinc/01/55/70/176015570.db2.gz CRTSYMZRUPWCNP-GOEBONIOSA-N 2 0 262.397 2.087 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(CCCC[N@H+](C)C(C)C)C1=O ZINC000071034907 176025051 /nfs/dbraw/zinc/02/50/51/176025051.db2.gz XXFIZIJBNZGUNM-HNNXBMFYSA-N 2 0 283.460 2.096 10 0 CEAERP CCC[NH2+][C@H]1CCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038090 176026372 /nfs/dbraw/zinc/02/63/72/176026372.db2.gz UIEWKSITLYWFCG-CABCVRRESA-N 2 0 283.460 2.097 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038068 176026572 /nfs/dbraw/zinc/02/65/72/176026572.db2.gz RSIXCTNSSINIES-HUUCEWRRSA-N 2 0 283.460 2.096 10 0 CEAERP CCC[NH2+][C@@H]1CCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038089 176026672 /nfs/dbraw/zinc/02/66/72/176026672.db2.gz UIEWKSITLYWFCG-HUUCEWRRSA-N 2 0 283.460 2.097 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000071123445 176034776 /nfs/dbraw/zinc/03/47/76/176034776.db2.gz WRZXMVOWBIGNSF-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000071142480 176040325 /nfs/dbraw/zinc/04/03/25/176040325.db2.gz WPKNAJNKMJRTML-CYBMUJFWSA-N 2 0 257.381 2.220 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000071161499 176046192 /nfs/dbraw/zinc/04/61/92/176046192.db2.gz WYFOXAUXTCZQLV-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188088 176061962 /nfs/dbraw/zinc/06/19/62/176061962.db2.gz OHVYRORCZCWICR-COXVUDFISA-N 2 0 293.430 2.488 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1C ZINC000071188431 176062918 /nfs/dbraw/zinc/06/29/18/176062918.db2.gz MWLUYAKDNBMNMY-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191520 176069631 /nfs/dbraw/zinc/06/96/31/176069631.db2.gz ISUNJKUNQHSVJA-OAHLLOKOSA-N 2 0 269.477 2.286 10 0 CEAERP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(F)cc1 ZINC000071191267 176070555 /nfs/dbraw/zinc/07/05/55/176070555.db2.gz INOHCUKSGJPTSG-RHSMWYFYSA-N 2 0 293.430 2.360 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191897 176071367 /nfs/dbraw/zinc/07/13/67/176071367.db2.gz WDXJGNUDPDSKMF-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CC1CCC([NH2+]CCN(C)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000071192405 176073198 /nfs/dbraw/zinc/07/31/98/176073198.db2.gz IGQAGRLZQDHMCH-PCKAHOCUSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1 ZINC000071200835 176077477 /nfs/dbraw/zinc/07/74/77/176077477.db2.gz QZECERYTJKBIKO-GJZGRUSLSA-N 2 0 255.450 2.035 10 0 CEAERP CCOC(=O)CCCCC[NH+]1CCC(CC[NH2+]C)CC1 ZINC000071297828 176112375 /nfs/dbraw/zinc/11/23/75/176112375.db2.gz VWTSVGPSFFRMRX-UHFFFAOYSA-N 2 0 284.444 2.431 10 0 CEAERP COCCC[N@H+](C)CCC[C@H]([NH3+])c1ccccc1 ZINC000071402083 176154136 /nfs/dbraw/zinc/15/41/36/176154136.db2.gz MBEUSHVJZMJMJA-HNNXBMFYSA-N 2 0 250.386 2.435 10 0 CEAERP C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000667008571 419514061 /nfs/dbraw/zinc/51/40/61/419514061.db2.gz UDRRIEAOYMSWRK-GUTXKFCHSA-N 2 0 260.381 2.488 10 0 CEAERP COc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000089150046 274157662 /nfs/dbraw/zinc/15/76/62/274157662.db2.gz KHASVMKFFSMLRL-CFVMTHIKSA-N 2 0 262.397 2.343 10 0 CEAERP CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862877 276068872 /nfs/dbraw/zinc/06/88/72/276068872.db2.gz YUQDCRSMFWBYQA-KRWDZBQOSA-N 2 0 276.424 2.384 10 0 CEAERP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400442681 277623759 /nfs/dbraw/zinc/62/37/59/277623759.db2.gz MUONQSVPAZMOTE-WCVJEAGWSA-N 2 0 267.461 2.085 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)CC(C)(C)C1 ZINC000226744926 278025880 /nfs/dbraw/zinc/02/58/80/278025880.db2.gz VAWCJRWVFROVEY-KGLIPLIRSA-N 2 0 256.434 2.369 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211816500 280207404 /nfs/dbraw/zinc/20/74/04/280207404.db2.gz JYOLUBWUAHUSHS-SFHVURJKSA-N 2 0 287.451 2.248 10 0 CEAERP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261889574 289006667 /nfs/dbraw/zinc/00/66/67/289006667.db2.gz XIBDECDQWRTPGX-OUAUKWLOSA-N 2 0 250.308 2.259 10 0 CEAERP CCC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[NH+](C)C ZINC000153786129 289122582 /nfs/dbraw/zinc/12/25/82/289122582.db2.gz UWSGMZKJYBFXDW-MRXNPFEDSA-N 2 0 297.487 2.297 10 0 CEAERP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000573952774 314186966 /nfs/dbraw/zinc/18/69/66/314186966.db2.gz VTLOHGLIBJQOJZ-DFULUXCASA-N 2 0 274.408 2.322 10 0 CEAERP C[C@H]([NH2+]CCCc1nccs1)[C@@H]1CCC[NH2+]C1 ZINC000576146996 314246938 /nfs/dbraw/zinc/24/69/38/314246938.db2.gz VJVKJAGUJLSUOR-NWDGAFQWSA-N 2 0 253.415 2.053 10 0 CEAERP CC(C)[NH2+]CC1(C[N@@H+]2C[C@H]3CC[C@@H]2C3)CCOCC1 ZINC000052183018 519720240 /nfs/dbraw/zinc/72/02/40/519720240.db2.gz UBUOHLHTDXIUCD-LSDHHAIUSA-N 2 0 266.429 2.266 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479263 519725634 /nfs/dbraw/zinc/72/56/34/519725634.db2.gz ISKMJSLRWQIXHL-NWANDNLSSA-N 2 0 254.418 2.262 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@H](C[N@H+](C)C[C@@H]2CCCCO2)O1 ZINC000052507631 519725841 /nfs/dbraw/zinc/72/58/41/519725841.db2.gz TYVYZWKKNWFRKT-OWCLPIDISA-N 2 0 284.444 2.033 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055082921 519912952 /nfs/dbraw/zinc/91/29/52/519912952.db2.gz YWZHNEPBTMGPOX-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083092 519918921 /nfs/dbraw/zinc/91/89/21/519918921.db2.gz MXPHKZVWDLRDSE-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653566 520023351 /nfs/dbraw/zinc/02/33/51/520023351.db2.gz JWRDHVQLORAVBJ-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@@H+]1CCCC(C)(C)C1)C(N)=O ZINC000069516544 520033505 /nfs/dbraw/zinc/03/35/05/520033505.db2.gz UYEGAQYBDZRARZ-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](Cc1ccsc1)C1CC1 ZINC000062741038 520515709 /nfs/dbraw/zinc/51/57/09/520515709.db2.gz UKNXWVWMMCLSLT-AWEZNQCLSA-N 2 0 268.426 2.466 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCCC[N@H+](CC)CC1CC1 ZINC000069239633 521153259 /nfs/dbraw/zinc/15/32/59/521153259.db2.gz PLKIWAKNMPXSJD-HNNXBMFYSA-N 2 0 270.417 2.169 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])CCc1ccccc1 ZINC000061625099 521657324 /nfs/dbraw/zinc/65/73/24/521657324.db2.gz LLIWENLMERYKGC-KRWDZBQOSA-N 2 0 277.456 2.220 10 0 CEAERP C[NH2+]Cc1cc(CN(CC[NH+](C)C)CC(C)C)oc1C ZINC000052503314 522106543 /nfs/dbraw/zinc/10/65/43/522106543.db2.gz PRRXPIVPIZPDIH-UHFFFAOYSA-N 2 0 281.444 2.327 10 0 CEAERP C(CN1CC[C@H]([NH+]2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC000062974686 518390807 /nfs/dbraw/zinc/39/08/07/518390807.db2.gz LIUCJKWGTYRHED-KRWDZBQOSA-N 2 0 279.472 2.326 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266163 518713176 /nfs/dbraw/zinc/71/31/76/518713176.db2.gz BYYLTNHTKYEXFH-INIZCTEOSA-N 2 0 273.424 2.247 10 0 CEAERP CC(C)C[NH+](CC(C)C)CC1(C[NH3+])CCOCC1 ZINC000052182230 519713218 /nfs/dbraw/zinc/71/32/18/519713218.db2.gz YSXKFRXDLYFNJA-UHFFFAOYSA-N 2 0 256.434 2.356 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654670 519722599 /nfs/dbraw/zinc/72/25/99/519722599.db2.gz PPQLXGFXVOMYKJ-CABCVRRESA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)CCC[NH2+]C2CC2)CC1 ZINC000055082935 519727891 /nfs/dbraw/zinc/72/78/91/519727891.db2.gz AZESVXRSGSNNQT-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1N1CCC[C@H]1C[NH+](C)C ZINC000061654202 519728060 /nfs/dbraw/zinc/72/80/60/519728060.db2.gz HJQBPMVFKJWWMH-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)CN(CC[NH+](C)C)CC(C)C ZINC000052503303 519744474 /nfs/dbraw/zinc/74/44/74/519744474.db2.gz JGBNNJZLZYIAJZ-MRXNPFEDSA-N 2 0 271.493 2.388 10 0 CEAERP CC(C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479963 519745599 /nfs/dbraw/zinc/74/55/99/519745599.db2.gz SWYTYAPSJUSEKC-MRXNPFEDSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]C[C@H](c1ccccc1)N1CC[NH+](C)CC1 ZINC000052379615 519746204 /nfs/dbraw/zinc/74/62/04/519746204.db2.gz YKSNFTJOLKTJKD-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)nc1 ZINC000061654230 519747031 /nfs/dbraw/zinc/74/70/31/519747031.db2.gz RKSHGNKNSRVHGJ-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N(C)CC[NH+]2CCCC2)n1 ZINC000063053920 519747372 /nfs/dbraw/zinc/74/73/72/519747372.db2.gz YMYMSTLULONMCG-UHFFFAOYSA-N 2 0 290.455 2.359 10 0 CEAERP CC(C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@@H](C(C)C)C[NH2+]1 ZINC000062663934 519804434 /nfs/dbraw/zinc/80/44/34/519804434.db2.gz XIJCVRUEEUDEDR-JKSUJKDBSA-N 2 0 267.461 2.035 10 0 CEAERP CCC1CCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)CC1 ZINC000048907399 519859121 /nfs/dbraw/zinc/85/91/21/519859121.db2.gz XEOUPARAZZLEOJ-UHFFFAOYSA-N 2 0 267.461 2.310 10 0 CEAERP CCCC1(C[NH2+]CC[C@H]2CCCO2)CC[NH2+]CC1 ZINC000062851048 519893107 /nfs/dbraw/zinc/89/31/07/519893107.db2.gz HTEXJTWRYRMVDI-CQSZACIVSA-N 2 0 254.418 2.315 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C1CC[NH+](C)CC1 ZINC000054601977 519907720 /nfs/dbraw/zinc/90/77/20/519907720.db2.gz PWNWEJYQXXDUNH-ZXFUBFMLSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000048784508 519913495 /nfs/dbraw/zinc/91/34/95/519913495.db2.gz VEDDMENYHPQEJD-UHFFFAOYSA-N 2 0 275.440 2.194 10 0 CEAERP CCC[NH2+]C[C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010859 519922854 /nfs/dbraw/zinc/92/28/54/519922854.db2.gz FSUNTBPDDWTXPV-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503242 519929637 /nfs/dbraw/zinc/92/96/37/519929637.db2.gz KNGZUPWERIRZFW-HNNXBMFYSA-N 2 0 257.466 2.140 10 0 CEAERP CC[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)oc1C ZINC000061654478 519987467 /nfs/dbraw/zinc/98/74/67/519987467.db2.gz KYEMPNURJUXIBU-HNNXBMFYSA-N 2 0 279.428 2.224 10 0 CEAERP CCC[NH2+][C@@H](CC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065059 519990303 /nfs/dbraw/zinc/99/03/03/519990303.db2.gz ATKIASZSESJOOI-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643750 519992829 /nfs/dbraw/zinc/99/28/29/519992829.db2.gz GIMMUVWKKFRQKZ-KFWWJZLASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061646070 519993809 /nfs/dbraw/zinc/99/38/09/519993809.db2.gz AJXDYSUGKQIARO-OAHLLOKOSA-N 2 0 279.403 2.466 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000052572309 520004020 /nfs/dbraw/zinc/00/40/20/520004020.db2.gz IDSAREJBJLDUCG-OAHLLOKOSA-N 2 0 294.439 2.279 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CC[NH+](CC2CC2)CC1 ZINC000052372532 520009092 /nfs/dbraw/zinc/00/90/92/520009092.db2.gz PRULZRUHMWKKBF-UHFFFAOYSA-N 2 0 287.451 2.324 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643751 520067342 /nfs/dbraw/zinc/06/73/42/520067342.db2.gz GIMMUVWKKFRQKZ-RBSFLKMASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000061270012 520070908 /nfs/dbraw/zinc/07/09/08/520070908.db2.gz OIZPYGVZMGRNAK-LBPRGKRZSA-N 2 0 263.385 2.075 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C[NH+]1CCC(CO)CC1 ZINC000053860090 520096129 /nfs/dbraw/zinc/09/61/29/520096129.db2.gz CADVLXJFEWLOJN-OIISXLGYSA-N 2 0 282.472 2.495 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979198 520116459 /nfs/dbraw/zinc/11/64/59/520116459.db2.gz MYGRIJWGMPUFKS-XHSDSOJGSA-N 2 0 265.445 2.077 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079306 520121722 /nfs/dbraw/zinc/12/17/22/520121722.db2.gz RJGARSXDVFQNEP-BBWFWOEESA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H](CC)[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062978933 520183931 /nfs/dbraw/zinc/18/39/31/520183931.db2.gz RMLSYMHIQBCXGM-SOUVJXGZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[C@H]([NH+](C)C)C1 ZINC000062965172 520218177 /nfs/dbraw/zinc/21/81/77/520218177.db2.gz WQGRQGFCUKBPGJ-QZWWFDLISA-N 2 0 281.488 2.425 10 0 CEAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000069262726 520956807 /nfs/dbraw/zinc/95/68/07/520956807.db2.gz QHGNGFUEPMVRIZ-INIZCTEOSA-N 2 0 268.445 2.371 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000069379692 521120026 /nfs/dbraw/zinc/12/00/26/521120026.db2.gz NGNDKFABZCPPFV-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH+]1CCC(N(C)CC[NH2+]Cc2ccccc2)CC1 ZINC000053435697 521560267 /nfs/dbraw/zinc/56/02/67/521560267.db2.gz AKTZSFDOIQCCPI-UHFFFAOYSA-N 2 0 275.440 2.192 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000052543978 521563523 /nfs/dbraw/zinc/56/35/23/521563523.db2.gz CIJCTLQKACPSQH-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CCC(CC)[NH2+]CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075370 521596313 /nfs/dbraw/zinc/59/63/13/521596313.db2.gz GHRKGOSHSRQCOL-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC(CC)[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078260 521602577 /nfs/dbraw/zinc/60/25/77/521602577.db2.gz SJVYBVMHUVLZFK-OAHLLOKOSA-N 2 0 255.450 2.024 10 0 CEAERP CCC[N@H+](CCC[C@H]1CCCC[NH2+]1)CCN(C)C ZINC000050954137 521654043 /nfs/dbraw/zinc/65/40/43/521654043.db2.gz QACICJVXMBUXAQ-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH+]1CCN(C[C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559456 521686961 /nfs/dbraw/zinc/68/69/61/521686961.db2.gz ZDLHGGDFHWONHB-XHSDSOJGSA-N 2 0 267.461 2.024 10 0 CEAERP CC[NH+]1CCN([C@@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554515 521694007 /nfs/dbraw/zinc/69/40/07/521694007.db2.gz VEAOCZBQPMALKF-HRCADAONSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000061643520 521842832 /nfs/dbraw/zinc/84/28/32/521842832.db2.gz BFHFNHHEOKSZAU-JQHSSLGASA-N 2 0 287.451 2.417 10 0 CEAERP CN(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654552 521870424 /nfs/dbraw/zinc/87/04/24/521870424.db2.gz BDAVQDRLIUTLPH-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)C[NH+]1CCCC1 ZINC000062081024 521952238 /nfs/dbraw/zinc/95/22/38/521952238.db2.gz FPIHKRNISSJGBP-XYTVBORESA-N 2 0 279.472 2.323 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C[C@@H](C)[NH+]1CCCCC1 ZINC000054602782 521952399 /nfs/dbraw/zinc/95/23/99/521952399.db2.gz PAVIEELRLYUYMH-MGNMYUMUSA-N 2 0 279.472 2.466 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000052417126 521997687 /nfs/dbraw/zinc/99/76/87/521997687.db2.gz JJEGXYBWPFHKJC-MRXNPFEDSA-N 2 0 275.440 2.192 10 0 CEAERP C[NH2+]Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000052573541 522117064 /nfs/dbraw/zinc/11/70/64/522117064.db2.gz DGWPPVCYUSIZIL-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])ccc2OC)CC1 ZINC000055065025 522125942 /nfs/dbraw/zinc/12/59/42/522125942.db2.gz MDLGFNSXPKAFMT-CQSZACIVSA-N 2 0 291.439 2.070 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)Cc2cccnc2)c1 ZINC000052479415 522127665 /nfs/dbraw/zinc/12/76/65/522127665.db2.gz GUJODIQSVAFZSP-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1c2ccccc2oc1C[NH3+] ZINC000052511539 522220083 /nfs/dbraw/zinc/22/00/83/522220083.db2.gz ZVDMQOFZPHYCMP-LLVKDONJSA-N 2 0 262.353 2.358 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049562081 522450798 /nfs/dbraw/zinc/45/07/98/522450798.db2.gz HOBUVBRLOBJDMB-QWHCGFSZSA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643427 522489955 /nfs/dbraw/zinc/48/99/55/522489955.db2.gz RGUMEGHYCAHOFJ-OWCLPIDISA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515225 522543493 /nfs/dbraw/zinc/54/34/93/522543493.db2.gz XAMVOHTXSIBHAG-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC(C)C)CC1 ZINC000055077438 522652882 /nfs/dbraw/zinc/65/28/82/522652882.db2.gz QHXKQKQJYJWYOD-NVXWUHKLSA-N 2 0 290.455 2.134 10 0 CEAERP CN(CCC[NH3+])C(=O)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061818649 522740470 /nfs/dbraw/zinc/74/04/70/522740470.db2.gz HHFDKYDXQMTTDU-UHFFFAOYSA-N 2 0 295.471 2.230 10 0 CEAERP COCCC[N@H+](CCOC)Cc1occc1C[NH2+]C1CC1 ZINC000052543233 523257522 /nfs/dbraw/zinc/25/75/22/523257522.db2.gz IXBKUVDESABTFH-UHFFFAOYSA-N 2 0 296.411 2.017 10 0 CEAERP CC[C@H]1CO[C@@H](C)C[N@@H+]1[C@@H](C)CCC[NH2+]C1CC1 ZINC000052571126 523347885 /nfs/dbraw/zinc/34/78/85/523347885.db2.gz QGXUDVXEZJGVOT-YDHLFZDLSA-N 2 0 254.418 2.406 10 0 CEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)CC[NH+]2CCCC2)C1 ZINC000063051073 523368365 /nfs/dbraw/zinc/36/83/65/523368365.db2.gz ITWSMICTUDWPLR-BZUAXINKSA-N 2 0 267.461 2.168 10 0 CEAERP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571163 523507821 /nfs/dbraw/zinc/50/78/21/523507821.db2.gz OPRSWQVLAQBXBK-XJKSGUPXSA-N 2 0 262.397 2.405 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953201 523515676 /nfs/dbraw/zinc/51/56/76/523515676.db2.gz NBHXCDPBQPSZEG-QLFBSQMISA-N 2 0 254.418 2.408 10 0 CEAERP CN(c1ccc(Cl)cc1C[NH3+])C1CC[NH+](C)CC1 ZINC000052856560 523637321 /nfs/dbraw/zinc/63/73/21/523637321.db2.gz SHVOBSPCVBVMCH-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP CN(c1nc(C2CC2)c(C[NH3+])s1)[C@@H]1CCC[N@H+](C)C1 ZINC000069180128 523663293 /nfs/dbraw/zinc/66/32/93/523663293.db2.gz BRAUHGMLZYAWPZ-LLVKDONJSA-N 2 0 280.441 2.010 10 0 CEAERP C[N@@H+]1CCCN(Cc2cccc(C[NH2+]C3CC3)c2)CC1 ZINC000052424161 523810530 /nfs/dbraw/zinc/81/05/30/523810530.db2.gz WRXURAVIRGNFPQ-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1cc(C)c(C[NH3+])o1 ZINC000052547354 523938722 /nfs/dbraw/zinc/93/87/22/523938722.db2.gz KXVVVPDCRQKIGZ-LBPRGKRZSA-N 2 0 254.374 2.294 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000055072411 523954069 /nfs/dbraw/zinc/95/40/69/523954069.db2.gz IFLQDAKJZHDISP-RDJZCZTQSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]Cc2ccccc2)CC1 ZINC000055075408 523954422 /nfs/dbraw/zinc/95/44/22/523954422.db2.gz GKPITRNJPZIQMX-INIZCTEOSA-N 2 0 275.440 2.192 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@H](C)C(C)C)CC1 ZINC000055075023 523954606 /nfs/dbraw/zinc/95/46/06/523954606.db2.gz DXLDMYGLRRGGSZ-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000055063694 523958607 /nfs/dbraw/zinc/95/86/07/523958607.db2.gz LAWCPMKBCUEACV-JGGQBBKZSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000055063926 523959152 /nfs/dbraw/zinc/95/91/52/523959152.db2.gz AAMOBEWGGMIZCM-WMLDXEAASA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ccccc2C[NH2+]C)CC1 ZINC000055068682 523960954 /nfs/dbraw/zinc/96/09/54/523960954.db2.gz WFGSHARMHBJOPR-AWEZNQCLSA-N 2 0 261.413 2.327 10 0 CEAERP CO[C@H]1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000070337805 523977012 /nfs/dbraw/zinc/97/70/12/523977012.db2.gz JLORZEDWKSDNSQ-PMPSAXMXSA-N 2 0 266.429 2.408 10 0 CEAERP C[NH+](C)C1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069147062 524040685 /nfs/dbraw/zinc/04/06/85/524040685.db2.gz NMXSIEABBOLBBQ-UHFFFAOYSA-N 2 0 280.441 2.010 10 0 CEAERP C[NH+](C)C1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022911 524040822 /nfs/dbraw/zinc/04/08/22/524040822.db2.gz NMDFVJSJEXHSMH-HNNXBMFYSA-N 2 0 274.412 2.080 10 0 CEAERP CCc1ccc([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643456 524051308 /nfs/dbraw/zinc/05/13/08/524051308.db2.gz PNSHLGVDWQTWAO-IAGOWNOFSA-N 2 0 275.440 2.275 10 0 CEAERP C[C@H]1CCC[C@@H]([NH2+]CCN(C)[C@@H]2CCC[N@H+](C)C2)C1 ZINC000053388537 524152702 /nfs/dbraw/zinc/15/27/02/524152702.db2.gz WTXGFVGIRQDTPI-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)C2(C)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000062841070 524337103 /nfs/dbraw/zinc/33/71/03/524337103.db2.gz OZNRCOVTVZEYQZ-RHSMWYFYSA-N 2 0 295.471 2.003 10 0 CEAERP Cc1cccc(N2CC[NH+](C3CCC([NH3+])CC3)CC2)c1 ZINC000055144240 524551407 /nfs/dbraw/zinc/55/14/07/524551407.db2.gz WXWXKKDFKABHBO-UHFFFAOYSA-N 2 0 273.424 2.387 10 0 CEAERP C[C@@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000050948288 524648729 /nfs/dbraw/zinc/64/87/29/524648729.db2.gz OATZQHNAQGNSDI-HOTGVXAUSA-N 2 0 295.471 2.147 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515264 524732748 /nfs/dbraw/zinc/73/27/48/524732748.db2.gz IWEJMVNUBAPTCS-AWEZNQCLSA-N 3 0 269.477 2.284 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c(C)s1 ZINC000061642856 525536519 /nfs/dbraw/zinc/53/65/19/525536519.db2.gz YBOUCQSULSXKKZ-HIFRSBDPSA-N 2 0 281.469 2.391 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[C@H]([NH+](C)C)C2)s1 ZINC000062963982 525977822 /nfs/dbraw/zinc/97/78/22/525977822.db2.gz UDZHZXYAELWPLY-DYEKYZERSA-N 2 0 267.442 2.081 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCC([NH3+])CC1 ZINC000055125534 526246447 /nfs/dbraw/zinc/24/64/47/526246447.db2.gz XNKLIBUUDLJSGZ-FHERZECASA-N 2 0 295.471 2.275 10 0 CEAERP c1cc(C[NH2+]C2CC2)nc(N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062971420 526426680 /nfs/dbraw/zinc/42/66/80/526426680.db2.gz MBPITIYKEZKADV-MRXNPFEDSA-N 2 0 286.423 2.008 10 0 CEAERP c1ccc(C[N@@H+]2CC[C@@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702231 526470592 /nfs/dbraw/zinc/47/05/92/526470592.db2.gz TYRMSBHQIZSLOU-MRXNPFEDSA-N 2 0 260.381 2.030 10 0 CEAERP c1ccc(C[N@@H+]2CC[C@H](OC3CC[NH2+]CC3)C2)cc1 ZINC000061702230 526470641 /nfs/dbraw/zinc/47/06/41/526470641.db2.gz TYRMSBHQIZSLOU-INIZCTEOSA-N 2 0 260.381 2.030 10 0 CEAERP [NH3+]C1(CN2CCC(C[NH+]3CCCC3)CC2)CCCCC1 ZINC000062036362 527129212 /nfs/dbraw/zinc/12/92/12/527129212.db2.gz HPARYRYPYXWIBR-UHFFFAOYSA-N 2 0 279.472 2.456 10 0 CEAERP [NH3+]CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CCO ZINC000055015180 527190632 /nfs/dbraw/zinc/19/06/32/527190632.db2.gz VIXORDFLZPMNGK-CVEARBPZSA-N 2 0 262.397 2.313 10 0 CEAERP [NH3+]C[C@@H](c1ccccc1F)N1CC[NH+](C2CCCC2)CC1 ZINC000052060189 527207164 /nfs/dbraw/zinc/20/71/64/527207164.db2.gz OLBMHRLJPQFLAG-KRWDZBQOSA-N 2 0 291.414 2.386 10 0 CEAERP [NH3+]C[C@H]1CC[C@@H](C[N@H+](Cc2cccs2)C2CC2)O1 ZINC000052370696 527239744 /nfs/dbraw/zinc/23/97/44/527239744.db2.gz JAANDXSDBRSKFO-OLZOCXBDSA-N 2 0 266.410 2.219 10 0 CEAERP [NH3+]Cc1sc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000069182486 527268560 /nfs/dbraw/zinc/26/85/60/527268560.db2.gz TXIDRFOXVDGKHH-GFCCVEGCSA-N 2 0 292.452 2.154 10 0 CEAERP COc1cccc(N2CC[NH+]([C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000093221025 537124706 /nfs/dbraw/zinc/12/47/06/537124706.db2.gz FGIJYTKFOHOSAC-CABCVRRESA-N 2 0 289.423 2.087 10 0 CEAERP Fc1cccnc1O[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261955057 629389323 /nfs/dbraw/zinc/38/93/23/629389323.db2.gz OOIIWUSURSYMRW-UONOGXRCSA-N 2 0 293.386 2.064 10 0 CEAERP Cc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000262037202 629493287 /nfs/dbraw/zinc/49/32/87/629493287.db2.gz YBEUBNVAKNOLKG-KZNAEPCWSA-N 2 0 288.435 2.284 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757242394 631843686 /nfs/dbraw/zinc/84/36/86/631843686.db2.gz YGKMCBURTUEQKF-NQBHXWOUSA-N 2 0 250.390 2.026 10 0 CEAERP C[NH+]1CCC(C[NH2+]C(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000227698032 642314853 /nfs/dbraw/zinc/31/48/53/642314853.db2.gz PFFIADNMABMXTE-UHFFFAOYSA-N 2 0 299.459 2.221 10 0 CEAERP Cc1ccc(OC[C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129170408 651857942 /nfs/dbraw/zinc/85/79/42/651857942.db2.gz AGOPKOXJQWRZMM-LSDHHAIUSA-N 2 0 262.397 2.494 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052511762 522591554 /nfs/dbraw/zinc/59/15/54/522591554.db2.gz FRRAPGLVXPCYCQ-LBPRGKRZSA-N 2 0 254.374 2.244 10 0 CEAERP CC[NH2+]Cc1sc(CC[NH+](C)C)nc1C(C)C ZINC000082434481 178011773 /nfs/dbraw/zinc/01/17/73/178011773.db2.gz WVMPWNJKGIKTPL-UHFFFAOYSA-N 2 0 255.431 2.480 10 0 CEAERP c1cc2c(cc1C[N@@H+]1CCO[C@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000228244262 539326007 /nfs/dbraw/zinc/32/60/07/539326007.db2.gz PZUVWJAGDCOMED-MSOLQXFVSA-N 2 0 286.419 2.476 10 0 CEAERP C[C@H]1[C@H](N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000306886813 344718504 /nfs/dbraw/zinc/71/85/04/344718504.db2.gz SYRMWXVCJJWKNF-DOTOQJQBSA-N 2 0 287.451 2.333 10 0 CEAERP CC1CCC(O)(C[N@H+](C)C[C@@H]2CCc3nccn3C2)CC1 ZINC000328651942 344757897 /nfs/dbraw/zinc/75/78/97/344757897.db2.gz WESQSRQFLNTEKE-CKDBGZEDSA-N 2 0 291.439 2.319 10 0 CEAERP CC1=CC(SC(N)=[NH2+])=CC[C@@]1(C)SC(N)=[NH2+] ZINC000584657613 344974114 /nfs/dbraw/zinc/97/41/14/344974114.db2.gz WOLVUMQUEKOTHT-SNVBAGLBSA-N 2 0 256.400 2.232 10 0 CEAERP CC[NH2+][C@@H](C)C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000084392568 178880131 /nfs/dbraw/zinc/88/01/31/178880131.db2.gz WSKGIADIPCSKIG-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](C)C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000084391522 178878613 /nfs/dbraw/zinc/87/86/13/178878613.db2.gz WPEMKYPJBDMZQL-KBPBESRZSA-N 3 0 255.450 2.037 10 0 CEAERP C[C@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300951 179009961 /nfs/dbraw/zinc/00/99/61/179009961.db2.gz DJNFVFPUQHEXLC-BPLDGKMQSA-N 2 0 254.418 2.129 10 0 CEAERP C[C@H](C[C@@](C)(O)C[NH3+])[NH+]1CCC(C(C)(C)C)CC1 ZINC000085302095 179011292 /nfs/dbraw/zinc/01/12/92/179011292.db2.gz FMUAZLYWCYEMSZ-IUODEOHRSA-N 2 0 256.434 2.233 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085364042 179035331 /nfs/dbraw/zinc/03/53/31/179035331.db2.gz XFTRLNGOADSYGF-LSDHHAIUSA-N 2 0 275.396 2.204 10 0 CEAERP COC[C@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403828 179053272 /nfs/dbraw/zinc/05/32/72/179053272.db2.gz OUBMEMVRTJSHGV-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](Cn2c3c(nc2C2CC2)C[NH2+]CC3)C1 ZINC000085572499 179097048 /nfs/dbraw/zinc/09/70/48/179097048.db2.gz ODWMWZDUAYLTKE-CYBMUJFWSA-N 2 0 288.439 2.137 10 0 CEAERP CCCc1nc2c(n1C[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572218 179097236 /nfs/dbraw/zinc/09/72/36/179097236.db2.gz NBKDABKPKCHFDV-CQSZACIVSA-N 2 0 290.455 2.213 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085626608 179106692 /nfs/dbraw/zinc/10/66/92/179106692.db2.gz RBUAJFVMVWFMNX-VHDGCEQUSA-N 2 0 252.402 2.018 10 0 CEAERP C[NH+](C)CCCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085606060 179100140 /nfs/dbraw/zinc/10/01/40/179100140.db2.gz GPPPLTMGGMPARG-UHFFFAOYSA-N 2 0 284.407 2.148 10 0 CEAERP C(C[NH+]1CCCC1)n1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606546 179100437 /nfs/dbraw/zinc/10/04/37/179100437.db2.gz IRIAENSKRBCMCS-UHFFFAOYSA-N 2 0 288.439 2.282 10 0 CEAERP CC(C)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000085630906 179108178 /nfs/dbraw/zinc/10/81/78/179108178.db2.gz NRYTZJUEAQUQQK-ILXRZTDVSA-N 2 0 266.429 2.262 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](Cc2ccccc2)CN1CCC[NH+](C)C ZINC000086153935 179241542 /nfs/dbraw/zinc/24/15/42/179241542.db2.gz WYVDZCMKVYNDKD-ZWKOTPCHSA-N 2 0 289.467 2.233 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182503 179247383 /nfs/dbraw/zinc/24/73/83/179247383.db2.gz JGXJSVUJPBGYMN-RCCFBDPRSA-N 2 0 291.483 2.179 10 0 CEAERP CC[C@H]1CN[C@H](C(C)C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086173678 179245059 /nfs/dbraw/zinc/24/50/59/179245059.db2.gz OQJFGPMQNNCZFT-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]1 ZINC000086146520 179239223 /nfs/dbraw/zinc/23/92/23/179239223.db2.gz YLYXUBSZBDWAIV-JYJNAYRXSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1CCC[NH+](C)C ZINC000086217780 179249829 /nfs/dbraw/zinc/24/98/29/179249829.db2.gz SNYAYUGXHZPMBC-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1C1CC[NH+](C)CC1 ZINC000086217790 179249892 /nfs/dbraw/zinc/24/98/92/179249892.db2.gz UPWHDWVSAKXAKM-WMLDXEAASA-N 2 0 273.424 2.116 10 0 CEAERP C[C@H]1C[NH2+][C@@](C)(c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223147 179252055 /nfs/dbraw/zinc/25/20/55/179252055.db2.gz NBFPUDZFMMRNHI-LZLYRXPVSA-N 2 0 287.451 2.147 10 0 CEAERP CC[C@H]1C[NH2+]C(CC)(CC)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259598 179258214 /nfs/dbraw/zinc/25/82/14/179258214.db2.gz SYCBRYJMPZYCSQ-GOEBONIOSA-N 2 0 279.472 2.466 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086291375 179265406 /nfs/dbraw/zinc/26/54/06/179265406.db2.gz WWQGWETVOVRNCY-SOUVJXGZSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259279 179258819 /nfs/dbraw/zinc/25/88/19/179258819.db2.gz GPWJOCOWKYWPGZ-IXDOHACOSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261108 179259996 /nfs/dbraw/zinc/25/99/96/179259996.db2.gz TYZPWGJPWVFLNG-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261040 179260310 /nfs/dbraw/zinc/26/03/10/179260310.db2.gz XRHTTZFGBSNZSM-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[C@H]1C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288754 179264993 /nfs/dbraw/zinc/26/49/93/179264993.db2.gz NZLZNLGVNODNNV-GOEBONIOSA-N 2 0 261.413 2.334 10 0 CEAERP CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259006 179256657 /nfs/dbraw/zinc/25/66/57/179256657.db2.gz JDZGONGKYRXWRD-CVEARBPZSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258988 179256813 /nfs/dbraw/zinc/25/68/13/179256813.db2.gz KIDSLTRTDYUILB-ZWKOTPCHSA-N 2 0 293.499 2.427 10 0 CEAERP C[NH+](C)CCc1nc2cc(C[NH3+])ccc2n1C(C)(C)C ZINC000086641966 179315084 /nfs/dbraw/zinc/31/50/84/179315084.db2.gz FCVPHBXUKAKMMT-UHFFFAOYSA-N 2 0 274.412 2.354 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@]1(C[NH3+])CCC[C@@H]1C ZINC000086676948 179319635 /nfs/dbraw/zinc/31/96/35/179319635.db2.gz HHTFYRSLWZDIRI-GJZGRUSLSA-N 2 0 255.450 2.024 10 0 CEAERP CCC1CCC(C[NH3+])(OC[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000086713155 179322847 /nfs/dbraw/zinc/32/28/47/179322847.db2.gz LTADIOCFDKBDIV-AQFXKWCLSA-N 2 0 298.471 2.410 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000086819329 179348800 /nfs/dbraw/zinc/34/88/00/179348800.db2.gz DETFLKBVNWLPKY-BBWFWOEESA-N 2 0 279.472 2.312 10 0 CEAERP CC[NH+](CC)CCn1cc(N[C@@H]2CCC[N@H+](C)CC2)cn1 ZINC000086818787 179347089 /nfs/dbraw/zinc/34/70/89/179347089.db2.gz CYSZEBWWJFYZDC-OAHLLOKOSA-N 2 0 293.459 2.121 10 0 CEAERP CCCCN(C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846546 179355767 /nfs/dbraw/zinc/35/57/67/179355767.db2.gz MUUUCSUONHEKTR-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848650 179356266 /nfs/dbraw/zinc/35/62/66/179356266.db2.gz YFIKCUBYKSNYGS-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N2CCC(OCC)CC2)CC1 ZINC000086847431 179356404 /nfs/dbraw/zinc/35/64/04/179356404.db2.gz YOPZXZDWWXZUFZ-QGZVFWFLSA-N 2 0 297.487 2.081 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cscn2)CC1 ZINC000086848208 179356686 /nfs/dbraw/zinc/35/66/86/179356686.db2.gz JQDANGOIADGWEX-OAHLLOKOSA-N 2 0 296.484 2.167 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840345 179350938 /nfs/dbraw/zinc/35/09/38/179350938.db2.gz FQRDGFUMUBDEGL-OAHLLOKOSA-N 2 0 279.472 2.467 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000086846533 179354505 /nfs/dbraw/zinc/35/45/05/179354505.db2.gz IXPGVFNZQMGBFS-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CCCN(CC)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846750 179355537 /nfs/dbraw/zinc/35/55/37/179355537.db2.gz WTGRZXSKZCKVBH-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NCC[NH+](C)C(C)C)CC1 ZINC000086844347 179355665 /nfs/dbraw/zinc/35/56/65/179355665.db2.gz OUZBNYRPQIUPCZ-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CCN([C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086851103 179359828 /nfs/dbraw/zinc/35/98/28/179359828.db2.gz GNSSGVYKQLTLIY-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000086891366 179366342 /nfs/dbraw/zinc/36/63/42/179366342.db2.gz YVFVMRKIDVRESF-ZACQAIPSSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@H]1CCC[C@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913255 179367224 /nfs/dbraw/zinc/36/72/24/179367224.db2.gz DQMXTCKYTONDAO-GJZGRUSLSA-N 2 0 254.418 2.397 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000086904722 179367267 /nfs/dbraw/zinc/36/72/67/179367267.db2.gz VIGKWBBKGIPPJM-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[C@@H]1CCC[C@@H]([N@H+](C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000086950252 179368337 /nfs/dbraw/zinc/36/83/37/179368337.db2.gz BFLKKPKPJOWUPT-HZPDHXFCSA-N 2 0 295.471 2.099 10 0 CEAERP CC(C)[C@@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952106 179368824 /nfs/dbraw/zinc/36/88/24/179368824.db2.gz QOQCCWMEXLJLRX-CVEARBPZSA-N 2 0 268.445 2.249 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+]CC2(O)CCCC2)C1 ZINC000087016210 179380305 /nfs/dbraw/zinc/38/03/05/179380305.db2.gz XZOFHNFAQGABAJ-KGLIPLIRSA-N 2 0 254.418 2.002 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCC(C)CC2)CC1 ZINC000087045876 179388194 /nfs/dbraw/zinc/38/81/94/179388194.db2.gz FQOUEUMMERQGBJ-HWOWSKLDSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000087088927 179393787 /nfs/dbraw/zinc/39/37/87/179393787.db2.gz XXWPKYGJJNNMPL-GJZGRUSLSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000087463674 179429083 /nfs/dbraw/zinc/42/90/83/179429083.db2.gz CNZCTHSCXYDUCP-UHFFFAOYSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)(C)OC(=O)NCC[N@@H+]1CCCCC[C@@H]1CC[NH3+] ZINC000616623840 348538055 /nfs/dbraw/zinc/53/80/55/348538055.db2.gz JSEBFJDXWSPCMS-CYBMUJFWSA-N 2 0 285.432 2.105 10 0 CEAERP C[NH+](C)CCOc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089149964 179725375 /nfs/dbraw/zinc/72/53/75/179725375.db2.gz MYKKMZWVPKAJKS-CZUORRHYSA-N 2 0 277.412 2.166 10 0 CEAERP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000089741985 539730543 /nfs/dbraw/zinc/73/05/43/539730543.db2.gz POAPONDWBZPLNZ-HNNXBMFYSA-N 2 0 287.407 2.221 10 0 CEAERP CC(C)[N@H+](Cc1cccs1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606835 180011236 /nfs/dbraw/zinc/01/12/36/180011236.db2.gz UZHFLGMQUXRQMA-UONOGXRCSA-N 2 0 268.426 2.322 10 0 CEAERP C[N@H+](Cc1cccc(Cl)c1)C[C@]1(C)COC[C@@H]1[NH3+] ZINC000090606664 180011364 /nfs/dbraw/zinc/01/13/64/180011364.db2.gz NLGRTNLPSWJSCF-UONOGXRCSA-N 2 0 268.788 2.136 10 0 CEAERP C[C@]1(C[NH+]2CCC3(CCCCC3)CC2)COC[C@@H]1[NH3+] ZINC000090620931 180013899 /nfs/dbraw/zinc/01/38/99/180013899.db2.gz RXWODWOQUZEYRB-GJZGRUSLSA-N 2 0 266.429 2.397 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090897474 180056667 /nfs/dbraw/zinc/05/66/67/180056667.db2.gz RKUPLMGRVSBCJK-WMLDXEAASA-N 2 0 286.419 2.372 10 0 CEAERP CCC[C@H](CC[NH3+])CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090908690 180062470 /nfs/dbraw/zinc/06/24/70/180062470.db2.gz LXSHMIPONXBFFD-SOUVJXGZSA-N 2 0 254.418 2.395 10 0 CEAERP [NH3+]CCc1nc(C[NH2+][C@H]2C[C@H]2c2ccccc2)cs1 ZINC000090958410 180074688 /nfs/dbraw/zinc/07/46/88/180074688.db2.gz VFVMGDYYPSABEM-KBPBESRZSA-N 2 0 273.405 2.290 10 0 CEAERP C[C@H]([NH3+])c1nc(CN2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000090958617 180074802 /nfs/dbraw/zinc/07/48/02/180074802.db2.gz RQESHCXVRVHBNV-JSGCOSHPSA-N 2 0 294.468 2.223 10 0 CEAERP CC[C@@H]1C[NH+]([C@@H]2CCC[C@H](C[NH3+])C2)C[C@@H](CC)O1 ZINC000675054791 539761700 /nfs/dbraw/zinc/76/17/00/539761700.db2.gz ZIDXHCGQMPQVFR-GBJTYRQASA-N 2 0 254.418 2.393 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(C)Cc1ccc(C)cc1 ZINC000091322611 180134365 /nfs/dbraw/zinc/13/43/65/180134365.db2.gz XWJHHZHYDNMKIO-MRXNPFEDSA-N 2 0 291.439 2.013 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(C)Cc1ccccc1C ZINC000091322718 180134627 /nfs/dbraw/zinc/13/46/27/180134627.db2.gz QNBOERSHTOAVAZ-INIZCTEOSA-N 2 0 291.439 2.013 10 0 CEAERP CC[NH2+]Cc1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000091337092 180136629 /nfs/dbraw/zinc/13/66/29/180136629.db2.gz MXBOPQUCPOVABU-UHFFFAOYSA-N 2 0 252.268 2.314 10 0 CEAERP CC(C)[NH+]1CCN(C[C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362322 180141832 /nfs/dbraw/zinc/14/18/32/180141832.db2.gz TVXYBHJJPGJWCY-IKGGRYGDSA-N 2 0 279.472 2.323 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@@H]([NH+](C)C)C2)nc1C ZINC000091429163 180152872 /nfs/dbraw/zinc/15/28/72/180152872.db2.gz NSESLMDCVWIUCQ-GFCCVEGCSA-N 2 0 282.457 2.091 10 0 CEAERP CC[NH2+]C[C@@](C)(CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432600 180153560 /nfs/dbraw/zinc/15/35/60/180153560.db2.gz XLMYYMNHOZTUJT-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@](C)(C[NH2+]C(C)C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091433160 180153872 /nfs/dbraw/zinc/15/38/72/180153872.db2.gz DERZYAWYQOIHLM-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH2+]Cc1csc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091449933 180158162 /nfs/dbraw/zinc/15/81/62/180158162.db2.gz WHMYGTRKCHLFEG-CQSZACIVSA-N 2 0 296.484 2.419 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392585 180145085 /nfs/dbraw/zinc/14/50/85/180145085.db2.gz LHPIDLRRPFHETE-CGTJXYLNSA-N 2 0 287.451 2.288 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)[C@@H]1C ZINC000091392813 180145350 /nfs/dbraw/zinc/14/53/50/180145350.db2.gz ZZLRZAOJWNYGGH-LVQVYYBASA-N 2 0 267.461 2.166 10 0 CEAERP C[NH+](C)[C@@H]1CCCN([C@@H](C[NH3+])c2cc3ccccc3o2)C1 ZINC000091395477 180146082 /nfs/dbraw/zinc/14/60/82/180146082.db2.gz QQPYPMOIDJMDEC-CABCVRRESA-N 2 0 287.407 2.459 10 0 CEAERP C[NH+](C)[C@H]1CCCN(C2(C[NH3+])CCCCCCC2)C1 ZINC000091395215 180146603 /nfs/dbraw/zinc/14/66/03/180146603.db2.gz DNTZDKUSKYMXOU-HNNXBMFYSA-N 2 0 267.461 2.454 10 0 CEAERP C[NH2+][C@H](C)C(C)(C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000091404190 180147175 /nfs/dbraw/zinc/14/71/75/180147175.db2.gz DBFBGEUXOKXKQE-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+]Cc1csc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091427474 180152136 /nfs/dbraw/zinc/15/21/36/180152136.db2.gz UTNJTHBHNVNUOJ-ZDUSSCGKSA-N 2 0 282.457 2.172 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000091548153 180187735 /nfs/dbraw/zinc/18/77/35/180187735.db2.gz PPDDNKFXALDJLH-HIFRSBDPSA-N 2 0 287.407 2.348 10 0 CEAERP CCC[NH2+][C@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCC1 ZINC000091638272 180212591 /nfs/dbraw/zinc/21/25/91/180212591.db2.gz RAGBTVBSFQYMDV-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH+](CC)CC[C@H]([NH3+])Cc1ccncc1Cl ZINC000091715756 180232004 /nfs/dbraw/zinc/23/20/04/180232004.db2.gz FWTNYZDPPRCSLI-LBPRGKRZSA-N 2 0 255.793 2.337 10 0 CEAERP CCn1nc(C)c(Cl)c1C[C@H]([NH3+])CC[NH+](CC)CC ZINC000091715848 180232335 /nfs/dbraw/zinc/23/23/35/180232335.db2.gz AHHQTEDUEQSHII-GFCCVEGCSA-N 2 0 286.851 2.467 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)sc21 ZINC000091722454 180239666 /nfs/dbraw/zinc/23/96/66/180239666.db2.gz XQRIIDYUWVBCIT-WZRBSPASSA-N 2 0 293.436 2.276 10 0 CEAERP CCC[NH2+]Cc1csc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722563 180240590 /nfs/dbraw/zinc/24/05/90/180240590.db2.gz HKOMTIPUPYBVDA-CHWSQXEVSA-N 2 0 281.425 2.178 10 0 CEAERP CC(C)(C)OC(=O)NC1CCC([NH2+]CCCC[NH3+])CC1 ZINC000091842759 180269034 /nfs/dbraw/zinc/26/90/34/180269034.db2.gz RKVRAGFITUZDCI-UHFFFAOYSA-N 2 0 285.432 2.151 10 0 CEAERP C[N@H+](Cc1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000091844759 180269089 /nfs/dbraw/zinc/26/90/89/180269089.db2.gz OHPISTOHXCXWRE-UHFFFAOYSA-N 2 0 262.353 2.117 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2cnc(C)s2)CC1 ZINC000091871208 180277125 /nfs/dbraw/zinc/27/71/25/180277125.db2.gz DULBOSCYDZFSTE-UHFFFAOYSA-N 2 0 253.415 2.414 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)N(CC)CC)CC1 ZINC000091870122 180277570 /nfs/dbraw/zinc/27/75/70/180277570.db2.gz QDDINPRPUFAQDD-FHERZECASA-N 2 0 297.487 2.486 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C2CCOCC2)CC1 ZINC000091870052 180277586 /nfs/dbraw/zinc/27/75/86/180277586.db2.gz UEPDRQMDRQCKRA-UHFFFAOYSA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000091872973 180277858 /nfs/dbraw/zinc/27/78/58/180277858.db2.gz KAELYGIDARRZIW-NRXISQOPSA-N 2 0 290.407 2.289 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ncc(Cl)n2C)CC1 ZINC000091872934 180277983 /nfs/dbraw/zinc/27/79/83/180277983.db2.gz HYRHXYMMOXGUTJ-UHFFFAOYSA-N 2 0 270.808 2.036 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091906424 180283927 /nfs/dbraw/zinc/28/39/27/180283927.db2.gz HVPIYFKGWLSNEH-LSDHHAIUSA-N 2 0 268.445 2.377 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@]2(C[NH3+])CCc3ccccc32)CC1 ZINC000091906391 180284125 /nfs/dbraw/zinc/28/41/25/180284125.db2.gz CKXBZFKYEROBJP-KRWDZBQOSA-N 2 0 288.435 2.065 10 0 CEAERP CCC[NH2+][C@@H](C)c1cccn1C[C@@H]1C[N@H+](CC)CCO1 ZINC000092060275 180315711 /nfs/dbraw/zinc/31/57/11/180315711.db2.gz RNMVYLOUGRTVKI-GJZGRUSLSA-N 2 0 279.428 2.269 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092304612 180360579 /nfs/dbraw/zinc/36/05/79/180360579.db2.gz FVNUVJZWHCFVQM-RRCSTGOVSA-N 2 0 272.392 2.092 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092302588 180359672 /nfs/dbraw/zinc/35/96/72/180359672.db2.gz YDQUKFHWBCZILR-CQSZACIVSA-N 2 0 260.381 2.223 10 0 CEAERP COc1ccc2c(c1)[C@@H]([N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000092387320 180374803 /nfs/dbraw/zinc/37/48/03/180374803.db2.gz YPTIBYLRSCGBHN-VBQJREDUSA-N 2 0 272.392 2.224 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@H](CO)C(C)C)C1 ZINC000092394495 180376709 /nfs/dbraw/zinc/37/67/09/180376709.db2.gz KYVXUKQTIHHJLD-QLFBSQMISA-N 2 0 256.434 2.103 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000092419420 180381857 /nfs/dbraw/zinc/38/18/57/180381857.db2.gz ZTXMYKXDUNJTFR-MRXNPFEDSA-N 2 0 276.428 2.430 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[NH+]([C@@H](C)CC)CC2)c1 ZINC000092419006 180382678 /nfs/dbraw/zinc/38/26/78/180382678.db2.gz AXZLEVOXSYMROV-AWEZNQCLSA-N 2 0 276.428 2.430 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2CC(C)(C)[NH+](C)C ZINC000110629919 186308125 /nfs/dbraw/zinc/30/81/25/186308125.db2.gz SKIVPARDCOWJGP-UHFFFAOYSA-N 2 0 280.347 2.106 10 0 CEAERP CN(CC1CCCC1)C1(C[NH3+])C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000110834902 186328377 /nfs/dbraw/zinc/32/83/77/186328377.db2.gz HSQBYAGOKPKZKA-XYPWUTKMSA-N 2 0 265.445 2.063 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000110921112 186332359 /nfs/dbraw/zinc/33/23/59/186332359.db2.gz NDUJKXPUWVBHPM-CABCVRRESA-N 2 0 281.831 2.366 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000110977987 186338619 /nfs/dbraw/zinc/33/86/19/186338619.db2.gz GUUHTZRBHAHQJL-OAHLLOKOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000110711798 186315504 /nfs/dbraw/zinc/31/55/04/186315504.db2.gz IXQVXKGRMCJFCA-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CC[N@@H+]1C ZINC000110711278 186315720 /nfs/dbraw/zinc/31/57/20/186315720.db2.gz GQQVCANMMKCYAG-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716828 186315885 /nfs/dbraw/zinc/31/58/85/186315885.db2.gz HSOQAIKWYCMEJH-SJORKVTESA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H](CN1CC[N@H+](C)[C@@H](C)C1)c1cc2ccccc2o1 ZINC000110713219 186316526 /nfs/dbraw/zinc/31/65/26/186316526.db2.gz COSGSPZQIXSYNI-ZFWWWQNUSA-N 2 0 287.407 2.329 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cc(C)cc(C)c2)CC[N@@H+]1C ZINC000110709881 186316709 /nfs/dbraw/zinc/31/67/09/186316709.db2.gz VITSFRDRRVYOHZ-SJORKVTESA-N 2 0 275.440 2.329 10 0 CEAERP CC[N@@H+]1CCN(CC(C)(C)C[NH2+]C(C)C)C[C@@H]1C ZINC000110745832 186319456 /nfs/dbraw/zinc/31/94/56/186319456.db2.gz CABYQSAOJYTNLF-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](CCN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110746923 186319788 /nfs/dbraw/zinc/31/97/88/186319788.db2.gz ZQHQTTNLWIQHAC-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CCN(CCC[NH2+]C2CCCCC2)C[C@@H]1C ZINC000110756582 186321582 /nfs/dbraw/zinc/32/15/82/186321582.db2.gz GGRRILCDUHSCST-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H]1CN(CC[NH2+][C@@H]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000110757573 186321675 /nfs/dbraw/zinc/32/16/75/186321675.db2.gz XVJNWPAKUYRJKC-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1CN(c2nc(C)c(C[NH2+]C3CC3)s2)CC[N@@H+]1C ZINC000110760278 186323892 /nfs/dbraw/zinc/32/38/92/186323892.db2.gz HAPVRFKHHTYOAV-ZDUSSCGKSA-N 2 0 294.468 2.234 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039509 186347280 /nfs/dbraw/zinc/34/72/80/186347280.db2.gz OYXJPPJJUCDQJY-AWEZNQCLSA-N 2 0 297.393 2.381 10 0 CEAERP Cc1nc(N(C)CC[NH+](C)C)sc1C[NH2+]C(C)(C)C ZINC000111151807 186360918 /nfs/dbraw/zinc/36/09/18/186360918.db2.gz SSDJEMFPHYSLIP-UHFFFAOYSA-N 2 0 284.473 2.337 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000111149673 186361116 /nfs/dbraw/zinc/36/11/16/186361116.db2.gz MTKHTSYPUNQYNF-ZDUSSCGKSA-N 2 0 292.427 2.382 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111130739 186356323 /nfs/dbraw/zinc/35/63/23/186356323.db2.gz IMIKGTDZUGNIJY-GOEBONIOSA-N 2 0 263.429 2.267 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000111131394 186356398 /nfs/dbraw/zinc/35/63/98/186356398.db2.gz UATZDOWZBPVHPO-JKSUJKDBSA-N 2 0 281.419 2.488 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N(C)CC[NH+](C)C ZINC000111130122 186356425 /nfs/dbraw/zinc/35/64/25/186356425.db2.gz MQIFITJKQQJXNT-SKDRFNHKSA-N 2 0 275.849 2.283 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)CC[NH+](C)C ZINC000111129602 186356587 /nfs/dbraw/zinc/35/65/87/186356587.db2.gz JTXPMJCBIQGUCU-HZPDHXFCSA-N 2 0 263.429 2.267 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1C ZINC000111133522 186356773 /nfs/dbraw/zinc/35/67/73/186356773.db2.gz QIKQWGBJLNIZPN-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccsc1)N(C)CCC[NH+](C)C ZINC000111130648 186356791 /nfs/dbraw/zinc/35/67/91/186356791.db2.gz MLGBYWNEYRQNBK-KBPBESRZSA-N 2 0 269.458 2.410 10 0 CEAERP CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H](C)N(C)CC[NH+](C)C ZINC000111134958 186356995 /nfs/dbraw/zinc/35/69/95/186356995.db2.gz ZXLJLINZGCNVPX-RHSMWYFYSA-N 2 0 293.455 2.228 10 0 CEAERP C[NH2+][C@H]1CC[C@@H](c2ccccc2)C[C@@H]1N(C)CC[NH+](C)C ZINC000111135444 186357222 /nfs/dbraw/zinc/35/72/22/186357222.db2.gz ALZPSPKRKPNMGJ-SQNIBIBYSA-N 2 0 289.467 2.404 10 0 CEAERP CCC[NH2+][C@@H](C)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111135653 186357665 /nfs/dbraw/zinc/35/76/65/186357665.db2.gz WNURLQJTUKBFNE-HNNXBMFYSA-N 3 0 257.466 2.428 10 0 CEAERP CCOc1ccc([C@@H](C)[NH3+])cc1CN(C)CC[NH+](C)C ZINC000111135062 186357814 /nfs/dbraw/zinc/35/78/14/186357814.db2.gz RMYYTZGBYHXCEH-CYBMUJFWSA-N 2 0 279.428 2.098 10 0 CEAERP CN(CCC[NH+](C)C)c1ccc(C(N)=[NH2+])cc1Cl ZINC000111138054 186358034 /nfs/dbraw/zinc/35/80/34/186358034.db2.gz AIXCNJXUYLEJLG-UHFFFAOYSA-N 2 0 268.792 2.012 10 0 CEAERP CCOc1ccccc1[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C ZINC000111136298 186358140 /nfs/dbraw/zinc/35/81/40/186358140.db2.gz SYIYHZIGYIYBKY-MRXNPFEDSA-N 2 0 293.455 2.229 10 0 CEAERP C[N@H+](CC1CCOCC1)C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000111172610 186365729 /nfs/dbraw/zinc/36/57/29/186365729.db2.gz XFGRBIAOHAYVKD-CABCVRRESA-N 2 0 254.418 2.252 10 0 CEAERP CCC[NH2+][C@@H](C)C1CC[NH+](CCCCCO)CC1 ZINC000111710209 186449010 /nfs/dbraw/zinc/44/90/10/186449010.db2.gz DQZIIUZOFNQMTL-AWEZNQCLSA-N 2 0 256.434 2.249 10 0 CEAERP C[C@@H]([NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000070600471 363100784 /nfs/dbraw/zinc/10/07/84/363100784.db2.gz XZLIQIRLVMSQQZ-SSDOTTSWSA-N 2 0 263.204 2.338 10 0 CEAERP CC(C)[NH+](C[C@H](O)c1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000675059146 540079537 /nfs/dbraw/zinc/07/95/37/540079537.db2.gz LMTCGLFKXIMJKL-KRWDZBQOSA-N 2 0 276.424 2.485 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575440382 366288831 /nfs/dbraw/zinc/28/88/31/366288831.db2.gz RRSCICIVWBVXFO-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000153712240 283320891 /nfs/dbraw/zinc/32/08/91/283320891.db2.gz GLNPLEGWRTZYQN-UKRRQHHQSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(C)(C)C ZINC000310954700 540450440 /nfs/dbraw/zinc/45/04/40/540450440.db2.gz ZNDNDPOSKDRLSN-KBPBESRZSA-N 2 0 256.434 2.105 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2CN(c3cc[nH+]c4ccccc43)C[C@H]12 ZINC000261629284 283597176 /nfs/dbraw/zinc/59/71/76/283597176.db2.gz VRYBZPCZSAEOJO-KWCYVHTRSA-N 2 0 253.349 2.408 10 0 CEAERP CC(C)c1ccc([C@@H](O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729511 361362068 /nfs/dbraw/zinc/36/20/68/361362068.db2.gz ZDNZIKLNTLNJNQ-INIZCTEOSA-N 2 0 262.397 2.267 10 0 CEAERP COc1cccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N(C)C)c1 ZINC000094074026 364250410 /nfs/dbraw/zinc/25/04/10/364250410.db2.gz JIPKOEQAZXVCMY-VMBOVVBDSA-N 2 0 291.439 2.157 10 0 CEAERP Cc1ccccc1[C@]1(O)CC[N@H+](C[C@H]2CC[C@@H]([NH3+])CC2)C1 ZINC000244701009 370794535 /nfs/dbraw/zinc/79/45/35/370794535.db2.gz JYGUUWUKSVSUEJ-JZXOWHBKSA-N 2 0 288.435 2.406 10 0 CEAERP C[C@H]1C[N@H+](CCSc2ccccc2)C[C@H]1C[NH3+] ZINC000631840213 367580982 /nfs/dbraw/zinc/58/09/82/367580982.db2.gz ASJAQVGCMHGQES-QWHCGFSZSA-N 2 0 250.411 2.305 10 0 CEAERP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000184677393 368710471 /nfs/dbraw/zinc/71/04/71/368710471.db2.gz NPCCWJUTKHIROV-IPYPFGDCSA-N 2 0 271.368 2.317 10 0 CEAERP C[C@H]1CN(CCOc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000235635388 370570937 /nfs/dbraw/zinc/57/09/37/370570937.db2.gz JKLFJAAFXZZPAZ-GWCFXTLKSA-N 2 0 299.212 2.107 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000236009585 370582434 /nfs/dbraw/zinc/58/24/34/370582434.db2.gz QJNRDQBZCSBOOG-OWCLPIDISA-N 2 0 276.428 2.092 10 0 CEAERP O[C@]12CCCC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000249308324 371313924 /nfs/dbraw/zinc/31/39/24/371313924.db2.gz DIGTZKNKIZILCP-IRXDYDNUSA-N 2 0 280.456 2.489 10 0 CEAERP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236696908 189839408 /nfs/dbraw/zinc/83/94/08/189839408.db2.gz NVJTVQDROIOMHZ-CVEARBPZSA-N 2 0 295.471 2.132 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCSc3ccccc3)C[C@H]12 ZINC000261558239 371646093 /nfs/dbraw/zinc/64/60/93/371646093.db2.gz DBNBYFAWUNPPNB-AEGPPILISA-N 2 0 262.422 2.448 10 0 CEAERP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261745696 371717598 /nfs/dbraw/zinc/71/75/98/371717598.db2.gz BSWHCNHPLOYDGG-IJEWVQPXSA-N 2 0 259.397 2.464 10 0 CEAERP Cc1cccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261637081 371685669 /nfs/dbraw/zinc/68/56/69/371685669.db2.gz WPGWRDRIHJCUAG-CWRNSKLLSA-N 2 0 260.381 2.043 10 0 CEAERP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1C[NH2+]C1 ZINC000643480612 373148465 /nfs/dbraw/zinc/14/84/65/373148465.db2.gz GPQVXKXYHCEWMV-QNDJGXFYSA-N 2 0 299.462 2.095 10 0 CEAERP OCC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000423007352 376927023 /nfs/dbraw/zinc/92/70/23/376927023.db2.gz QKOYJDDGNVPYMV-GJZGRUSLSA-N 2 0 254.418 2.049 10 0 CEAERP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301661308 379295088 /nfs/dbraw/zinc/29/50/88/379295088.db2.gz JNNWKHOZJMUFDB-OAHLLOKOSA-N 2 0 299.418 2.436 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1Cl ZINC000335284753 208102834 /nfs/dbraw/zinc/10/28/34/208102834.db2.gz CJFAPGAKIXXEQO-NOZJJQNGSA-N 2 0 253.777 2.465 10 0 CEAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(O)CCCC1 ZINC000093516710 184686906 /nfs/dbraw/zinc/68/69/06/184686906.db2.gz XGUZSJNOUFOVEU-ZIAGYGMSSA-N 2 0 254.418 2.192 10 0 CEAERP C=COCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000093469376 184680235 /nfs/dbraw/zinc/68/02/35/184680235.db2.gz DRJKCAWSVRALIG-KFWWJZLASA-N 2 0 252.402 2.437 10 0 CEAERP CC(C)[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[N@H+](C)CC(C)(C)C ZINC000093591557 184693832 /nfs/dbraw/zinc/69/38/32/184693832.db2.gz SATMHQDXCHZDFV-PBHICJAKSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[NH2+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCC(OC)CC1 ZINC000093616839 184695905 /nfs/dbraw/zinc/69/59/05/184695905.db2.gz UPJYYSWMMZYDIL-DOTOQJQBSA-N 2 0 298.471 2.018 10 0 CEAERP CC[N@H+](CC[C@@H]1CCC[C@@]1(CO)[NH2+]C1CC1)[C@@H](C)COC ZINC000093617272 184696021 /nfs/dbraw/zinc/69/60/21/184696021.db2.gz WADHXDVXLZPKNK-ZOBUZTSGSA-N 2 0 298.471 2.017 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@H]([NH+]2CCC(C)(C)CC2)C1 ZINC000093781384 184720530 /nfs/dbraw/zinc/72/05/30/184720530.db2.gz CARJXICEZFVXKW-HOCLYGCPSA-N 2 0 268.445 2.392 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H]1CCCC(C)(C)[C@@H]1[NH2+]C ZINC000094275069 184774698 /nfs/dbraw/zinc/77/46/98/184774698.db2.gz CLIIUZHIACQVQW-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H]1[C@H](N(C)C2CC[NH+](C)CC2)CCC1(C)C ZINC000094303694 184777816 /nfs/dbraw/zinc/77/78/16/184777816.db2.gz UABHGXNBISLHTN-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH2+][C@@H]1[C@H](N2CC[NH+](C3CC3)CC2)CCC1(C)C ZINC000094304752 184777904 /nfs/dbraw/zinc/77/79/04/184777904.db2.gz AJZPBAPCPAARHU-HZPDHXFCSA-N 2 0 279.472 2.323 10 0 CEAERP C[NH+](C)CCS[C@H]1CCc2ccccc2[C@@H]1[NH3+] ZINC000095021795 184917443 /nfs/dbraw/zinc/91/74/43/184917443.db2.gz IPOMAXADCBCMFZ-KBPBESRZSA-N 2 0 250.411 2.296 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(CC)Cc2ccccn2)CC1 ZINC000094912003 184890900 /nfs/dbraw/zinc/89/09/00/184890900.db2.gz ZJMPZISEWIPXAZ-UHFFFAOYSA-N 2 0 290.455 2.107 10 0 CEAERP C[C@@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400759713 533379332 /nfs/dbraw/zinc/37/93/32/533379332.db2.gz XWIDIQQLIOTCST-HUUCEWRRSA-N 2 0 261.413 2.101 10 0 CEAERP [NH3+][C@H]1CCC[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000070578367 134952928 /nfs/dbraw/zinc/95/29/28/134952928.db2.gz JKGHRQQGULHLJL-HOTGVXAUSA-N 2 0 273.424 2.326 10 0 CEAERP Cc1cccc(N2CC[NH+](CC3(CC(N)=[NH2+])CC3)CC2)c1 ZINC000088258151 135053597 /nfs/dbraw/zinc/05/35/97/135053597.db2.gz XLBYYQKTJNBQTG-UHFFFAOYSA-N 2 0 286.423 2.223 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2C(N)=[NH2+])C1 ZINC000091393698 135068785 /nfs/dbraw/zinc/06/87/85/135068785.db2.gz QHRZFYUJPODVRM-NSHDSACASA-N 2 0 280.803 2.154 10 0 CEAERP Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)ccc1CC[NH3+] ZINC000091432024 135069943 /nfs/dbraw/zinc/06/99/43/135069943.db2.gz QMOOYTFTHIGGFF-MRXNPFEDSA-N 2 0 261.413 2.027 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208946 135076225 /nfs/dbraw/zinc/07/62/25/135076225.db2.gz NKBXZUWZFNLXHU-KBPBESRZSA-N 2 0 291.826 2.365 10 0 CEAERP C[C@H](C[NH3+])[C@@H](C)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000093068450 135078963 /nfs/dbraw/zinc/07/89/63/135078963.db2.gz RXOHOORKVFNUHE-CHWSQXEVSA-N 2 0 281.831 2.445 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H](C)[C@H](C)C[NH3+])CC2)c1 ZINC000093068444 135079029 /nfs/dbraw/zinc/07/90/29/135079029.db2.gz CTBUUNSOYBLPKT-HUUCEWRRSA-N 2 0 261.413 2.100 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000094443187 135088957 /nfs/dbraw/zinc/08/89/57/135088957.db2.gz SQYKBHZOYDWMEH-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CSCC1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000400748307 395253848 /nfs/dbraw/zinc/25/38/48/395253848.db2.gz UYXMVDJUJHERPB-ZIHBUVQPSA-N 2 0 256.459 2.496 10 0 CEAERP O[C@H](C[NH2+][C@@H]1CCC12CCCC2)C[NH+]1CCCCC1 ZINC000189080479 296580523 /nfs/dbraw/zinc/58/05/23/296580523.db2.gz KZZJMBZPOFNDJD-HUUCEWRRSA-N 2 0 266.429 2.146 10 0 CEAERP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000263159813 154027440 /nfs/dbraw/zinc/02/74/40/154027440.db2.gz DSQBHXJIMJNLDS-GDBMZVCRSA-N 2 0 288.416 2.085 10 0 CEAERP [NH3+]C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000020179663 171044228 /nfs/dbraw/zinc/04/42/28/171044228.db2.gz SHNSSDFNGIILHR-INIZCTEOSA-N 2 0 293.842 2.367 10 0 CEAERP Cc1ccccc1[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000020179450 171044434 /nfs/dbraw/zinc/04/44/34/171044434.db2.gz HZZDPRMRRNGREK-QGZVFWFLSA-N 2 0 273.424 2.022 10 0 CEAERP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365658 171164321 /nfs/dbraw/zinc/16/43/21/171164321.db2.gz AVKRHSPYDFJDIZ-KKUMJFAQSA-N 2 0 285.476 2.390 10 0 CEAERP [NH3+]CC[C@H](COc1cccc(F)c1)[NH+]1CCCC1 ZINC000020401977 171182630 /nfs/dbraw/zinc/18/26/30/171182630.db2.gz CKVPTHOJKHSSET-CYBMUJFWSA-N 2 0 252.333 2.018 10 0 CEAERP C[NH+]1CCN(CC[NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000037496841 173236101 /nfs/dbraw/zinc/23/61/01/173236101.db2.gz XYTGHXSXMKKMMO-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC[C@@H](C)[NH+](C)C)C1 ZINC000038087976 174100869 /nfs/dbraw/zinc/10/08/69/174100869.db2.gz PSHNZWSETHQJSN-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694412 174377971 /nfs/dbraw/zinc/37/79/71/174377971.db2.gz ZHZDICPTPPCJPU-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]1CC[N@H+](CCCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000040717013 174384531 /nfs/dbraw/zinc/38/45/31/174384531.db2.gz AWZRXPBFHNFWSJ-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP CCC(CC)[C@H](CNC(=O)C[NH2+]C1CCCC1)[NH+](C)C ZINC000040831529 174413536 /nfs/dbraw/zinc/41/35/36/174413536.db2.gz FXWLNSNEYFIAOX-HNNXBMFYSA-N 2 0 283.460 2.001 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NCCC(C)C ZINC000042299727 174677644 /nfs/dbraw/zinc/67/76/44/174677644.db2.gz VLZPRNMQWDJMOC-HNNXBMFYSA-N 2 0 285.476 2.249 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N(C)C1CC[NH+](CC)CC1 ZINC000043354756 175022177 /nfs/dbraw/zinc/02/21/77/175022177.db2.gz OBVUWVHZCQQUSC-SJORKVTESA-N 2 0 290.455 2.276 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N(C)C2CC[NH+](C)CC2)o1 ZINC000043363794 175024213 /nfs/dbraw/zinc/02/42/13/175024213.db2.gz JPGMKMXMVKODCQ-SWLSCSKDSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](C(C)(C)C)CC2)o1 ZINC000043364754 175025443 /nfs/dbraw/zinc/02/54/43/175025443.db2.gz IATQMCIWHKZAIG-DZGCQCFKSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH+]1CCN(C[C@H]([NH2+]C)c2ccc(C)cc2)CC1 ZINC000043805202 175107593 /nfs/dbraw/zinc/10/75/93/175107593.db2.gz YERUWFDSXSBJCR-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](CCC)CC1 ZINC000043805668 175107646 /nfs/dbraw/zinc/10/76/46/175107646.db2.gz XHKGKUYTESOKPZ-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818395 175112805 /nfs/dbraw/zinc/11/28/05/175112805.db2.gz DDLVUZHRWJAMLG-QGZVFWFLSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818162 175112882 /nfs/dbraw/zinc/11/28/82/175112882.db2.gz ZUNHYLLFXFACMM-NVXWUHKLSA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](C(C)C)CC1 ZINC000043896910 175120156 /nfs/dbraw/zinc/12/01/56/175120156.db2.gz WGXHTUBNZKYTRK-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000043897554 175120722 /nfs/dbraw/zinc/12/07/22/175120722.db2.gz UQNLWDOWIRUWHJ-DZGCQCFKSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H]1CCC2(C[C@@H]1[N@@H+]1CCC[C@@H]1C)OCCO2 ZINC000043903804 175122593 /nfs/dbraw/zinc/12/25/93/175122593.db2.gz HBSDFTPGKDHSLH-KKUMJFAQSA-N 2 0 282.428 2.135 10 0 CEAERP CC[NH2+][C@@H](CC)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965619 175127464 /nfs/dbraw/zinc/12/74/64/175127464.db2.gz QKWZJMPWZXSHNJ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000044798066 175254634 /nfs/dbraw/zinc/25/46/34/175254634.db2.gz GVGKBUMWKQYCSG-HOCLYGCPSA-N 2 0 291.439 2.171 10 0 CEAERP C[N@H+](C[C@H](O)c1ccc(C[NH3+])cc1)CC(C)(C)C ZINC000045068657 175300680 /nfs/dbraw/zinc/30/06/80/175300680.db2.gz QZKKPIXWUQBSAL-AWEZNQCLSA-N 2 0 250.386 2.157 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCCCCC2)C1 ZINC000045134849 175313125 /nfs/dbraw/zinc/31/31/25/175313125.db2.gz BLDVKKFTWHMAFN-HNNXBMFYSA-N 2 0 268.445 2.392 10 0 CEAERP CCCC[N@H+](CC)CCCC[C@](C)([NH3+])C(=O)OC ZINC000045370424 175364529 /nfs/dbraw/zinc/36/45/29/175364529.db2.gz FFUQPQLLHFKBJH-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C(C)C ZINC000045386073 175371707 /nfs/dbraw/zinc/37/17/07/175371707.db2.gz XVHSZXXDALHBTO-OAHLLOKOSA-N 2 0 271.449 2.129 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)[C@@H](C)C(C)C ZINC000045391939 175375847 /nfs/dbraw/zinc/37/58/47/175375847.db2.gz XZDKRRJRXGMDEG-DZGCQCFKSA-N 2 0 272.433 2.414 10 0 CEAERP CCC[NH2+][C@](C)(CO)C[C@H](C)[NH+]1CCC(OCC)CC1 ZINC000070513773 175962498 /nfs/dbraw/zinc/96/24/98/175962498.db2.gz AWANAIXTCOATIO-HOCLYGCPSA-N 2 0 286.460 2.017 10 0 CEAERP CO[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284051 415672271 /nfs/dbraw/zinc/67/22/71/415672271.db2.gz ZMXAJIXHXNLYFL-CABCVRRESA-N 2 0 254.418 2.313 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038101 176026349 /nfs/dbraw/zinc/02/63/49/176026349.db2.gz FCXNMYQZQBPGHF-HZPDHXFCSA-N 2 0 297.487 2.486 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C(C)C)CC2)C1 ZINC000071123423 176035464 /nfs/dbraw/zinc/03/54/64/176035464.db2.gz YIILNGOWFABQQC-HZPDHXFCSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000071142478 176040340 /nfs/dbraw/zinc/04/03/40/176040340.db2.gz WPKNAJNKMJRTML-ZDUSSCGKSA-N 2 0 257.381 2.220 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000071161677 176046506 /nfs/dbraw/zinc/04/65/06/176046506.db2.gz OGLFIUIQZDGOCU-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP COc1ccc(C[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000071169804 176050700 /nfs/dbraw/zinc/05/07/00/176050700.db2.gz WPLPGKSXBRDSIR-CYBMUJFWSA-N 2 0 262.397 2.297 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000071188492 176062615 /nfs/dbraw/zinc/06/26/15/176062615.db2.gz MQPXXONSEYCVPG-FZMZJTMJSA-N 2 0 299.821 2.362 10 0 CEAERP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188404 176063073 /nfs/dbraw/zinc/06/30/73/176063073.db2.gz QMWMPRLWQGNLAY-ZMSDIMECSA-N 2 0 275.440 2.001 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188809 176063333 /nfs/dbraw/zinc/06/33/33/176063333.db2.gz ARHSWVWFUOWJPD-JLSDUUJJSA-N 2 0 287.451 2.145 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189041 176064295 /nfs/dbraw/zinc/06/42/95/176064295.db2.gz QWZBNEVUBYEZBI-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000071192103 176073072 /nfs/dbraw/zinc/07/30/72/176073072.db2.gz IDAWZLHRZCVANI-QAPCUYQASA-N 2 0 287.451 2.363 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)c(C)o1 ZINC000071192073 176073639 /nfs/dbraw/zinc/07/36/39/176073639.db2.gz DMMQHVLJFIYJAP-HNNXBMFYSA-N 2 0 293.455 2.471 10 0 CEAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192422 176074005 /nfs/dbraw/zinc/07/40/05/176074005.db2.gz OIUNCPRVIIYHOA-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@@H]([NH2+]CCN(C)C[C@@H]1CC[N@H+](C)C1)c1cccs1 ZINC000071192225 176074076 /nfs/dbraw/zinc/07/40/76/176074076.db2.gz ZSZPDMYTFIOWCC-ZIAGYGMSSA-N 2 0 281.469 2.282 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200149 176077263 /nfs/dbraw/zinc/07/72/63/176077263.db2.gz XILSZZYOHCFFSQ-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP COCC[N@H+](CCC[NH3+])Cc1cc(C)ccc1C ZINC000071224535 176088695 /nfs/dbraw/zinc/08/86/95/176088695.db2.gz UDLZLMDMKLTDJO-UHFFFAOYSA-N 2 0 250.386 2.101 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000071249992 176094855 /nfs/dbraw/zinc/09/48/55/176094855.db2.gz NRHFOYVLWOFCTB-OAHLLOKOSA-N 2 0 266.360 2.021 10 0 CEAERP C[N@H+](CCc1ccccn1)Cc1ccc(F)cc1C[NH3+] ZINC000071250086 176095026 /nfs/dbraw/zinc/09/50/26/176095026.db2.gz MUFZMYSAKAVMEV-UHFFFAOYSA-N 2 0 273.355 2.354 10 0 CEAERP CCC[NH+]1CCN(CCCCCC[NH2+]CC)CC1 ZINC000071287486 176109681 /nfs/dbraw/zinc/10/96/81/176109681.db2.gz TUKKXIUCUSOEJH-UHFFFAOYSA-N 2 0 255.450 2.184 10 0 CEAERP C[NH+]1CCC(Oc2nc3ccccc3cc2C[NH3+])CC1 ZINC000071385928 176147429 /nfs/dbraw/zinc/14/74/29/176147429.db2.gz WKEDMHDAAYXBCW-UHFFFAOYSA-N 2 0 271.364 2.167 10 0 CEAERP CC[NH+](CC)CCOc1ccc(C)cc1C[NH2+]CCOC ZINC000071407593 176156499 /nfs/dbraw/zinc/15/64/99/176156499.db2.gz GXODEHLHOTVOLO-UHFFFAOYSA-N 2 0 294.439 2.452 10 0 CEAERP CCN(c1ccccc1)[C@@H](C[NH3+])C[NH+]1CCCCC1 ZINC000076673490 177055034 /nfs/dbraw/zinc/05/50/34/177055034.db2.gz JRNLJKSSEFSXPO-INIZCTEOSA-N 2 0 261.413 2.326 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)([NH+](C)C)C1 ZINC000070577322 287501017 /nfs/dbraw/zinc/50/10/17/287501017.db2.gz LPJGKLYALOZBFX-AIANPOQGSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H]([NH2+]CCOCc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000667006704 419511775 /nfs/dbraw/zinc/51/17/75/419511775.db2.gz UXYYTFMLIWQBFR-HOCLYGCPSA-N 2 0 262.397 2.181 10 0 CEAERP C[C@@H](CCC1CC1)[NH2+]C[C@H](O)CN1CCCCC1 ZINC000186269848 262313358 /nfs/dbraw/zinc/31/33/58/262313358.db2.gz GOZRDEUDFMQGML-ZFWWWQNUSA-N 2 0 254.418 2.002 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000263316753 275054773 /nfs/dbraw/zinc/05/47/73/275054773.db2.gz ZOXFZWWNZQIPLG-XABYNWHXSA-N 2 0 294.826 2.146 10 0 CEAERP CC1(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000311212420 275827432 /nfs/dbraw/zinc/82/74/32/275827432.db2.gz LMMDZWMMLJLHSD-ZIAGYGMSSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)(C)C1CCC(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000263130814 278301230 /nfs/dbraw/zinc/30/12/30/278301230.db2.gz BPMGJUKTUQBSNR-HXSCFSKGSA-N 2 0 268.445 2.009 10 0 CEAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH3+])C(C)(C)C1)[NH+]1CCCCC1 ZINC000262147788 280159172 /nfs/dbraw/zinc/15/91/72/280159172.db2.gz XIASNSUPITWFHD-LSDHHAIUSA-N 2 0 295.471 2.083 10 0 CEAERP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000248422598 281678723 /nfs/dbraw/zinc/67/87/23/281678723.db2.gz DOWSTCVXPVRKTR-BBWFWOEESA-N 2 0 280.456 2.415 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000300103927 293097738 /nfs/dbraw/zinc/09/77/38/293097738.db2.gz VQIFSNWAOFNTKK-TUAOUCFPSA-N 2 0 282.350 2.451 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653536 519719934 /nfs/dbraw/zinc/71/99/34/519719934.db2.gz ULWDKLXMEKRAQD-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH+]1CCN(C2(C[NH3+])CCC(C)CC2)CC1 ZINC000055078512 519725501 /nfs/dbraw/zinc/72/55/01/519725501.db2.gz IGEALLFNQYCAFK-UHFFFAOYSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]CCCCN1CC[NH+](CC2CC2)CC1 ZINC000052372392 519743267 /nfs/dbraw/zinc/74/32/67/519743267.db2.gz ZINKATQDNZVXRI-UHFFFAOYSA-N 2 0 267.461 2.040 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547428 519935571 /nfs/dbraw/zinc/93/55/71/519935571.db2.gz VKPKQWVYYMVGDC-XHSDSOJGSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[NH+]2CCC(C)(C)CC2)O1 ZINC000061823138 519981511 /nfs/dbraw/zinc/98/15/11/519981511.db2.gz QARDUJHQWXMGPC-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)[C@H](C)COC)oc1C ZINC000052572325 519987906 /nfs/dbraw/zinc/98/79/06/519987906.db2.gz BPZPAKHLZURMFR-CYBMUJFWSA-N 2 0 298.427 2.181 10 0 CEAERP CC[NH2+][C@H](CN1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000069075201 520197334 /nfs/dbraw/zinc/19/73/34/520197334.db2.gz SZHMSFUUPJUMNG-QGZVFWFLSA-N 2 0 279.472 2.182 10 0 CEAERP CCO[C@@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000062741203 520307868 /nfs/dbraw/zinc/30/78/68/520307868.db2.gz CCTZMCULWWBDKZ-HUUCEWRRSA-N 2 0 254.418 2.395 10 0 CEAERP CCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075953 520666810 /nfs/dbraw/zinc/66/68/10/520666810.db2.gz WIRWXPSIZIEATE-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]CCc2ccsc2)C1 ZINC000062974293 520845754 /nfs/dbraw/zinc/84/57/54/520845754.db2.gz YQYVLSXBFXAHJT-MRXNPFEDSA-N 2 0 295.496 2.296 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH2+]C(C)C)C(C)C ZINC000052544100 521657871 /nfs/dbraw/zinc/65/78/71/521657871.db2.gz OWJQELOXKZRMCD-HNNXBMFYSA-N 2 0 257.466 2.283 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)c(C)o1 ZINC000055082838 522108112 /nfs/dbraw/zinc/10/81/12/522108112.db2.gz MTTHTYYFGYUJSA-UHFFFAOYSA-N 2 0 279.428 2.081 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccccc2C[NH3+])CC1 ZINC000055064204 522126170 /nfs/dbraw/zinc/12/61/70/522126170.db2.gz REUZCBZBQAXPHS-CQSZACIVSA-N 2 0 261.413 2.061 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ncc(C[NH3+])cc2Cl)CC1 ZINC000055073574 522137161 /nfs/dbraw/zinc/13/71/61/522137161.db2.gz VMRAIGGBRACDBP-LLVKDONJSA-N 2 0 282.819 2.114 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2F)CC1 ZINC000048927110 518713387 /nfs/dbraw/zinc/71/33/87/518713387.db2.gz CUANDLFKMVMCMU-HNNXBMFYSA-N 2 0 279.403 2.242 10 0 CEAERP CC(C)[N@H+](CCCO)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017100 519644851 /nfs/dbraw/zinc/64/48/51/519644851.db2.gz CMYBGSKKAJRNGJ-HNNXBMFYSA-N 2 0 250.386 2.169 10 0 CEAERP CC(C)CC[N@H+](C)C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052545947 519650620 /nfs/dbraw/zinc/65/06/20/519650620.db2.gz ZTDQUTPJDDZAEW-CABCVRRESA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[NH2+]C[C@H](C)CN1CC[NH+](C2CCCC2)CC1 ZINC000052573480 519724458 /nfs/dbraw/zinc/72/44/58/519724458.db2.gz SYKCLFBXTYLEEO-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083676 519726459 /nfs/dbraw/zinc/72/64/59/519726459.db2.gz WVTDQTYECKMPNO-BBWFWOEESA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000055083680 519726492 /nfs/dbraw/zinc/72/64/92/519726492.db2.gz WVTDQTYECKMPNO-ZACQAIPSSA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000055075889 519727533 /nfs/dbraw/zinc/72/75/33/519727533.db2.gz RNXWCSBBPRPBDG-HNNXBMFYSA-N 2 0 295.496 2.500 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062967111 519727978 /nfs/dbraw/zinc/72/79/78/519727978.db2.gz XBKWVZIDHBNNAY-OAHLLOKOSA-N 2 0 261.413 2.325 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055075866 519728089 /nfs/dbraw/zinc/72/80/89/519728089.db2.gz YWSBQHYWMBXQJS-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912275 519735932 /nfs/dbraw/zinc/73/59/32/519735932.db2.gz JHEZLRULEXUFPY-KRWDZBQOSA-N 2 0 289.423 2.024 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371166 519746490 /nfs/dbraw/zinc/74/64/90/519746490.db2.gz XGXWSRIRCXYUPS-CABCVRRESA-N 2 0 286.485 2.219 10 0 CEAERP CC(C)C[NH2+]Cc1cc(C[N@H+](C)[C@@H]2CCSC2)on1 ZINC000052453320 519746804 /nfs/dbraw/zinc/74/68/04/519746804.db2.gz ZGYICLFQWWCJOO-CYBMUJFWSA-N 2 0 283.441 2.358 10 0 CEAERP CCCC1CC[NH+](Cc2ccnc(C(N)=[NH2+])c2)CC1 ZINC000068761835 519902056 /nfs/dbraw/zinc/90/20/56/519902056.db2.gz XAIWRUXPSDXISH-UHFFFAOYSA-N 2 0 260.385 2.378 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061295305 519903938 /nfs/dbraw/zinc/90/39/38/519903938.db2.gz WLWKIVGUPGJMSU-UHFFFAOYSA-N 2 0 285.476 2.201 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC000054628588 519907356 /nfs/dbraw/zinc/90/73/56/519907356.db2.gz QCEUJJFUIVFJBO-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@H+](C)C1 ZINC000054602690 519907767 /nfs/dbraw/zinc/90/77/67/519907767.db2.gz MIASOAOBMBZSJT-WTXIUTQJSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072124 519908577 /nfs/dbraw/zinc/90/85/77/519908577.db2.gz RYNVZNKZKRQZKB-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[NH+]2CCCCCC2)O1 ZINC000052382044 519926263 /nfs/dbraw/zinc/92/62/63/519926263.db2.gz ZIIPFHFHQOPGEL-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000052477848 519948666 /nfs/dbraw/zinc/94/86/66/519948666.db2.gz YRTUUXBSABGVES-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CC[NH+](C(C)C)CC1 ZINC000052480155 519949710 /nfs/dbraw/zinc/94/97/10/519949710.db2.gz YOQYPFFJQBSKRC-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](CCOC)C(CC)CC)on1 ZINC000052573346 519988099 /nfs/dbraw/zinc/98/80/99/519988099.db2.gz YRQSVXIHXQFKSV-UHFFFAOYSA-N 2 0 283.416 2.421 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075477 520008827 /nfs/dbraw/zinc/00/88/27/520008827.db2.gz ILAMYECQLMDZDA-IRXDYDNUSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+]Cc1cccnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000055073343 520011530 /nfs/dbraw/zinc/01/15/30/520011530.db2.gz QJGMVKVPBFEKJH-CQSZACIVSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1oc(CN2CC[NH+](CC(C)C)CC2)cc1C ZINC000055083121 520026866 /nfs/dbraw/zinc/02/68/66/520026866.db2.gz WSVPDOBOZQPFTM-UHFFFAOYSA-N 2 0 293.455 2.471 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](CCOC)CC(C)C ZINC000052508546 520031688 /nfs/dbraw/zinc/03/16/88/520031688.db2.gz NCABVXKKZKFMJY-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CC[NH2+]Cc1sc(CC[NH+](CC)CC)nc1C ZINC000052330269 520033395 /nfs/dbraw/zinc/03/33/95/520033395.db2.gz KGLAKPYLGVFLNN-UHFFFAOYSA-N 2 0 255.431 2.445 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899514 520180886 /nfs/dbraw/zinc/18/08/86/520180886.db2.gz YXDQRHUYAPUIFR-LLVKDONJSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653577 520219721 /nfs/dbraw/zinc/21/97/21/520219721.db2.gz VBNIXYSUMGVITD-HZMVEIRTSA-N 2 0 281.488 2.427 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C)c(C[NH2+]C)o2)C1 ZINC000052372359 520320050 /nfs/dbraw/zinc/32/00/50/520320050.db2.gz UXSLCVXYJMNLAS-CYBMUJFWSA-N 2 0 266.385 2.308 10 0 CEAERP CCO[C@@H]1CCC[N@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000062850966 520320689 /nfs/dbraw/zinc/32/06/89/520320689.db2.gz ULBRAVWDMQPXRQ-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)C1(CC)CC[NH2+]CC1 ZINC000062847676 520632562 /nfs/dbraw/zinc/63/25/62/520632562.db2.gz LEDOPZOKCOQNQS-HNNXBMFYSA-N 2 0 297.487 2.393 10 0 CEAERP CC[NH+](CC)CCOC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052672031 520694884 /nfs/dbraw/zinc/69/48/84/520694884.db2.gz CIZJAZMIWFTTIT-CABCVRRESA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH+](CC)CCc1noc(CC[C@@H]2CCCC[NH2+]2)n1 ZINC000050927949 520714282 /nfs/dbraw/zinc/71/42/82/520714282.db2.gz RWVHWXNJGSXNCC-ZDUSSCGKSA-N 2 0 280.416 2.029 10 0 CEAERP CC[NH+](CC)C[C@@H](C)N1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602674 520714783 /nfs/dbraw/zinc/71/47/83/520714783.db2.gz NZHTYVACNCPPOK-WZYMTQMTSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[C@@H]([NH3+])[C@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065343 520727099 /nfs/dbraw/zinc/72/70/99/520727099.db2.gz OSEFYCUHZMBADV-ZNMIVQPWSA-N 2 0 255.450 2.309 10 0 CEAERP CCC[C@@](C)(C[NH2+]CC)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969877 520910811 /nfs/dbraw/zinc/91/08/11/520910811.db2.gz AENRXBWADAXOGY-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CC1CC[NH+](C[C@@H]2CC[C@@H](C[NH2+]C3CC3)O2)CC1 ZINC000052377156 521019003 /nfs/dbraw/zinc/01/90/03/521019003.db2.gz XFIOESFGROGWBV-GJZGRUSLSA-N 2 0 252.402 2.018 10 0 CEAERP CC[N@H+](CCNCCC[NH+](C)C)C1CCCCC1 ZINC000053344338 521075603 /nfs/dbraw/zinc/07/56/03/521075603.db2.gz ZEQKFQXBJILJPP-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC(CC)(C[NH3+])CN1CC[NH+](CC(C)C)CC1 ZINC000055081794 521426044 /nfs/dbraw/zinc/42/60/44/521426044.db2.gz KSKTYGOHKVZPIB-UHFFFAOYSA-N 2 0 255.450 2.025 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147777 521555763 /nfs/dbraw/zinc/55/57/63/521555763.db2.gz VEGZXWNGDCPNCD-GJZGRUSLSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000055147775 521556211 /nfs/dbraw/zinc/55/62/11/521556211.db2.gz VEGZXWNGDCPNCD-LSDHHAIUSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000069266615 521566882 /nfs/dbraw/zinc/56/68/82/521566882.db2.gz LBYIHHALNOHUSI-QGZVFWFLSA-N 2 0 273.424 2.247 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000164394015 521602714 /nfs/dbraw/zinc/60/27/14/521602714.db2.gz CUFCEBQSSHCXCJ-JKSUJKDBSA-N 2 0 295.471 2.145 10 0 CEAERP CCC[N@H+](CCCC[NH2+]C(C)(C)C)CCN(C)C ZINC000052544111 521651916 /nfs/dbraw/zinc/65/19/16/521651916.db2.gz LXBIXJOJQJKULR-UHFFFAOYSA-N 2 0 257.466 2.428 10 0 CEAERP CCCN(CC[NH+](C)C)CC1(C[NH2+]C)CCCCC1 ZINC000051254336 521656634 /nfs/dbraw/zinc/65/66/34/521656634.db2.gz SLRNQKFMNAHFOW-UHFFFAOYSA-N 2 0 269.477 2.430 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH2+]C(C)(C)C)C(C)C)CC1 ZINC000052422176 521691650 /nfs/dbraw/zinc/69/16/50/521691650.db2.gz QBRVTVKAGGNBEZ-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000061655580 521844958 /nfs/dbraw/zinc/84/49/58/521844958.db2.gz RPAALXPQSCZFCA-NSHDSACASA-N 2 0 296.484 2.430 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@H]2CCCO)CCCCC1 ZINC000052765378 521968906 /nfs/dbraw/zinc/96/89/06/521968906.db2.gz IYNCUDKUNFENBA-HNNXBMFYSA-N 2 0 268.445 2.393 10 0 CEAERP C[NH+](C)[C@H]1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000062975097 522104946 /nfs/dbraw/zinc/10/49/46/522104946.db2.gz OAEOVTCTNGHBGY-NSHDSACASA-N 2 0 282.457 2.172 10 0 CEAERP C[NH2+]Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000052515470 522109044 /nfs/dbraw/zinc/10/90/44/522109044.db2.gz HFAWNEJRGOUTEH-UHFFFAOYSA-N 3 0 279.428 2.081 10 0 CEAERP C[NH2+]Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000052540324 522117028 /nfs/dbraw/zinc/11/70/28/522117028.db2.gz SONCHRBHLIADSL-JKSUJKDBSA-N 2 0 260.381 2.159 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C2(C[NH3+])CCCCC2)CC1 ZINC000055064605 522118318 /nfs/dbraw/zinc/11/83/18/522118318.db2.gz DHIXQJJUYPKQDZ-CQSZACIVSA-N 2 0 253.434 2.064 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCCC(C)C)CC1 ZINC000055075462 522122639 /nfs/dbraw/zinc/12/26/39/522122639.db2.gz RQQMTJQUZFAGJJ-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000052453124 522126453 /nfs/dbraw/zinc/12/64/53/522126453.db2.gz ZIUYSSXMBMISMA-AWEZNQCLSA-N 2 0 250.411 2.343 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000055064270 522127257 /nfs/dbraw/zinc/12/72/57/522127257.db2.gz AKJQLXZOIZPCAA-CYBMUJFWSA-N 2 0 279.403 2.201 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064525 522131227 /nfs/dbraw/zinc/13/12/27/522131227.db2.gz BFONUPIPZHQDOV-MLGOLLRUSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(C)o2)CC1 ZINC000055064069 522132004 /nfs/dbraw/zinc/13/20/04/522132004.db2.gz PQQYXDSCBQZTQE-TZMCWYRMSA-N 2 0 265.401 2.004 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](CCN(C)C)CC(C)C ZINC000052503406 522133959 /nfs/dbraw/zinc/13/39/59/522133959.db2.gz UQAWKDODDGFFGM-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543621 522135929 /nfs/dbraw/zinc/13/59/29/522135929.db2.gz XERHTHVOMROTCV-CYBMUJFWSA-N 2 0 262.397 2.405 10 0 CEAERP C[NH2+][C@@H](C)c1sc(N2CCC([NH+](C)C)CC2)nc1C ZINC000054903705 522340217 /nfs/dbraw/zinc/34/02/17/522340217.db2.gz GCTBCLBUUXZFPM-JTQLQIEISA-N 2 0 282.457 2.262 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964201 522343469 /nfs/dbraw/zinc/34/34/69/522343469.db2.gz SKTRNIMPYYECQH-JYJNAYRXSA-N 2 0 279.403 2.240 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N3CCC([NH+](C)C)CC3)sc21 ZINC000054903735 522390231 /nfs/dbraw/zinc/39/02/31/522390231.db2.gz HLGCRIDBJLQJTG-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@H]1N(C)CC[NH+]1CCCC1 ZINC000063051657 522401467 /nfs/dbraw/zinc/40/14/67/522401467.db2.gz LLTSHIVGHVIMHE-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP C[NH2+][C@H](C)c1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655439 522455642 /nfs/dbraw/zinc/45/56/42/522455642.db2.gz MLHBZVKOEWIRPU-ZYHUDNBSSA-N 2 0 282.457 2.262 10 0 CEAERP C[NH2+][C@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccc(C)cc1 ZINC000061643400 522465366 /nfs/dbraw/zinc/46/53/66/522465366.db2.gz RFBBJRPHBMRKJB-IAGOWNOFSA-N 2 0 275.440 2.282 10 0 CEAERP CC[C@@H](C[NH2+]C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062973741 522545134 /nfs/dbraw/zinc/54/51/34/522545134.db2.gz VALJYFCDFBJOHP-HOTGVXAUSA-N 2 0 265.445 2.077 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077477 522649682 /nfs/dbraw/zinc/64/96/82/522649682.db2.gz VOFPGAJBAHIICS-IAGOWNOFSA-N 2 0 290.455 2.134 10 0 CEAERP C[N@H+](C[C@H]1CCCCO1)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052182393 523108807 /nfs/dbraw/zinc/10/88/07/523108807.db2.gz KLOIONLKLGIGMC-MRXNPFEDSA-N 2 0 296.455 2.036 10 0 CEAERP CC[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C[NH2+]C2CC2)O1 ZINC000052375346 523265515 /nfs/dbraw/zinc/26/55/15/523265515.db2.gz GQGWRVJSXZBWAK-KFWWJZLASA-N 2 0 252.402 2.160 10 0 CEAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642540 523352244 /nfs/dbraw/zinc/35/22/44/523352244.db2.gz USWSIGFDDOHJFA-QKPAOTATSA-N 2 0 267.461 2.166 10 0 CEAERP CC[C@H]1CSC(N[C@@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502343 523354600 /nfs/dbraw/zinc/35/46/00/523354600.db2.gz XFEKWZVCGAIXDA-RYUDHWBXSA-N 2 0 255.431 2.332 10 0 CEAERP COCC[N@H+](C)Cc1ccoc1C[NH2+]C(C)(C)C ZINC000052572963 523622245 /nfs/dbraw/zinc/62/22/45/523622245.db2.gz QZLAHZZDBXAHJI-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP COCC[NH+](CCCCC[NH2+]C(C)(C)C)CCOC ZINC000052571470 523692778 /nfs/dbraw/zinc/69/27/78/523692778.db2.gz SRZWSUFCOPKOLM-UHFFFAOYSA-N 2 0 274.449 2.140 10 0 CEAERP CC[C@@]1(C(=O)Nc2cccc(C[NH+](C)C)c2)CCC[NH2+]C1 ZINC000062855077 523698958 /nfs/dbraw/zinc/69/89/58/523698958.db2.gz WPIRFOOTIAEPEP-QGZVFWFLSA-N 2 0 289.423 2.467 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCC[C@@H](C)[NH2+]C)CC1 ZINC000055065106 523952802 /nfs/dbraw/zinc/95/28/02/523952802.db2.gz GZHUZHILKFJLOS-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)c(C)o2)CC1 ZINC000055073850 523955319 /nfs/dbraw/zinc/95/53/19/523955319.db2.gz OEPWBFRRPIQSOC-ZDUSSCGKSA-N 2 0 279.428 2.224 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000055074020 523956236 /nfs/dbraw/zinc/95/62/36/523956236.db2.gz LOIQCRUULSPULW-HNNXBMFYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074660 523957702 /nfs/dbraw/zinc/95/77/02/523957702.db2.gz ZVWDQKRIMWQRQJ-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064527 523958910 /nfs/dbraw/zinc/95/89/10/523958910.db2.gz BFONUPIPZHQDOV-BLLLJJGKSA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000055076287 523961612 /nfs/dbraw/zinc/96/16/12/523961612.db2.gz MBDSPEZIRRLFMA-WDEREUQCSA-N 2 0 282.457 2.392 10 0 CEAERP C[C@H](CCC[NH3+])O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702319 524139925 /nfs/dbraw/zinc/13/99/25/524139925.db2.gz VFBMAOARNFMFBO-GDBMZVCRSA-N 2 0 262.397 2.405 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)CCc1ccccn1 ZINC000052423933 524142258 /nfs/dbraw/zinc/14/22/58/524142258.db2.gz TYEZNRZBRDIHTB-CQSZACIVSA-N 2 0 261.413 2.477 10 0 CEAERP C[C@H]1CCC[C@@H]([N@H+](C)CC2(C[NH3+])CCOCC2)C1 ZINC000052182640 524143464 /nfs/dbraw/zinc/14/34/64/524143464.db2.gz JPQVVSWRCYRLJK-UONOGXRCSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372546 524194119 /nfs/dbraw/zinc/19/41/19/524194119.db2.gz QVRSCVICWXWGSA-CQSZACIVSA-N 2 0 267.461 2.181 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062978374 524472818 /nfs/dbraw/zinc/47/28/18/524472818.db2.gz NHNYLJWCGWSQAN-ROUUACIJSA-N 2 0 287.451 2.473 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573456 524479853 /nfs/dbraw/zinc/47/98/53/524479853.db2.gz XZIFLSGXBKBLBC-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CC[NH+](CC(C)C)CC2)s1 ZINC000055076132 524576287 /nfs/dbraw/zinc/57/62/87/524576287.db2.gz UTMISEFXZLEVEG-UHFFFAOYSA-N 2 0 295.496 2.420 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NC1=[NH+]C(C)(C)CS1 ZINC000049502346 524605445 /nfs/dbraw/zinc/60/54/45/524605445.db2.gz RQQMFIWGOSEPEJ-NSHDSACASA-N 2 0 255.431 2.332 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573455 524734358 /nfs/dbraw/zinc/73/43/58/524734358.db2.gz XZIFLSGXBKBLBC-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000050578946 525008897 /nfs/dbraw/zinc/00/88/97/525008897.db2.gz POFPLDYTNDRIFZ-KRWDZBQOSA-N 2 0 291.414 2.162 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964128 525016975 /nfs/dbraw/zinc/01/69/75/525016975.db2.gz NMIKQMNGKCZQOC-GBIKHYSHSA-N 2 0 287.860 2.426 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061655765 525030133 /nfs/dbraw/zinc/03/01/33/525030133.db2.gz ZGSLDQKHMKKVFV-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP C[C@](C[NH3+])(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763364 525136971 /nfs/dbraw/zinc/13/69/71/525136971.db2.gz ZZJMUVJJAAVPMS-SJORKVTESA-N 2 0 276.424 2.140 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CCC(C[NH+](C)C)CC2)ccc1F ZINC000050546438 525481944 /nfs/dbraw/zinc/48/19/44/525481944.db2.gz OCAMGQAHIBUWPR-QGZVFWFLSA-N 2 0 293.430 2.408 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)ccc1F ZINC000050546107 525536326 /nfs/dbraw/zinc/53/63/26/525536326.db2.gz VKGCBTIMQFKDFA-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cc2ncc([C@@H](C)[NH2+]C3CCC([NH3+])CC3)c(C)n2n1 ZINC000051693115 525681782 /nfs/dbraw/zinc/68/17/82/525681782.db2.gz CIRZMYWPJFGPFZ-LMWSTFAQSA-N 2 0 287.411 2.267 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[NH+](CC(C)C)CC2)cc1 ZINC000055079038 525764968 /nfs/dbraw/zinc/76/49/68/525764968.db2.gz MRCQKNWUKSGABG-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP Cc1oc(C[NH3+])cc1COCC[C@@H]1CCC[N@H+]1C ZINC000052673429 526770868 /nfs/dbraw/zinc/77/08/68/526770868.db2.gz SZGAUYGUDBVLIX-ZDUSSCGKSA-N 2 0 252.358 2.048 10 0 CEAERP Cn1cc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000050605678 527448573 /nfs/dbraw/zinc/44/85/73/527448573.db2.gz DFICISLGUWQCJB-UHFFFAOYSA-N 2 0 270.380 2.497 10 0 CEAERP CCOCc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400703900 529071738 /nfs/dbraw/zinc/07/17/38/529071738.db2.gz KNHFYSDADLLTKC-KBPBESRZSA-N 2 0 262.397 2.311 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757153620 574511111 /nfs/dbraw/zinc/51/11/11/574511111.db2.gz YHBUVGDXXDPCQK-CQSZACIVSA-N 2 0 252.402 2.081 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000250397587 625086195 /nfs/dbraw/zinc/08/61/95/625086195.db2.gz YVAXHMCPZVBCKD-OAGGEKHMSA-N 2 0 267.461 2.371 10 0 CEAERP CCC(CC)(CC)C[NH2+]C1CCN(CCO)CC1 ZINC000399230197 628785143 /nfs/dbraw/zinc/78/51/43/628785143.db2.gz GLPRHYNEVGJJLJ-UHFFFAOYSA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576763 641684861 /nfs/dbraw/zinc/68/48/61/641684861.db2.gz GMKTWLYYMUSOCC-CVEARBPZSA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H](CC[NH3+])N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000095831160 185029465 /nfs/dbraw/zinc/02/94/65/185029465.db2.gz SDGULFVEXTYVHF-GFCCVEGCSA-N 2 0 267.442 2.039 10 0 CEAERP C[NH+](C)CC[C@@H]([NH3+])Cc1ccccc1Br ZINC000096944856 185134562 /nfs/dbraw/zinc/13/45/62/185134562.db2.gz DXOLGJFIFDHEMP-LLVKDONJSA-N 2 0 271.202 2.271 10 0 CEAERP CCn1ncc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000169781449 344482696 /nfs/dbraw/zinc/48/26/96/344482696.db2.gz SLHBOWJENUTBKA-MRXNPFEDSA-N 2 0 290.455 2.375 10 0 CEAERP FC(F)(F)[C@@H]1C[NH2+]CCN(Cc2ccccc2)C1 ZINC000220942757 344539157 /nfs/dbraw/zinc/53/91/57/344539157.db2.gz CAFKLPQYVVPXHJ-GFCCVEGCSA-N 2 0 258.287 2.270 10 0 CEAERP Nc1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000227991549 344558189 /nfs/dbraw/zinc/55/81/89/344558189.db2.gz FCHKAXFNCHQLQM-AWEZNQCLSA-N 2 0 283.379 2.135 10 0 CEAERP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262671073 344655786 /nfs/dbraw/zinc/65/57/86/344655786.db2.gz OBCZRPVQTLOVCS-OWCLPIDISA-N 2 0 295.471 2.131 10 0 CEAERP [NH3+]CC[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000306587029 344715283 /nfs/dbraw/zinc/71/52/83/344715283.db2.gz RWQBUFNDFSAZEG-VIFPVBQESA-N 2 0 263.566 2.451 10 0 CEAERP C[C@@H]1[C@@H](N2CC[NH2+]C(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000306886816 344718232 /nfs/dbraw/zinc/71/82/32/344718232.db2.gz SYRMWXVCJJWKNF-WBVHZDCISA-N 2 0 287.451 2.333 10 0 CEAERP C[NH+](C)CCOC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584601715 344962819 /nfs/dbraw/zinc/96/28/19/344962819.db2.gz MQTZMAHWEDNHKZ-UHFFFAOYSA-N 2 0 282.815 2.497 10 0 CEAERP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774822 344984901 /nfs/dbraw/zinc/98/49/01/344984901.db2.gz OWAXBTUGCHNNAW-XHSDSOJGSA-N 2 0 267.461 2.085 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000054306788 362525139 /nfs/dbraw/zinc/52/51/39/362525139.db2.gz UEDWYXPARCRNDG-ZDUSSCGKSA-N 2 0 275.396 2.076 10 0 CEAERP CCC[NH+]1CCN(CCC2([NH3+])CCCCC2)CC1 ZINC000084188058 178821154 /nfs/dbraw/zinc/82/11/54/178821154.db2.gz MMVIWLCYXVMYQH-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP CCC1CC[NH+](CCCC[C@@](C)(CO)[NH2+]C)CC1 ZINC000085260833 178991519 /nfs/dbraw/zinc/99/15/19/178991519.db2.gz FZBXVSAMSDFBHI-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP CCC1(CC)CC[NH+]([C@@H](C)C[C@@](C)(O)C[NH3+])CC1 ZINC000085303332 179011370 /nfs/dbraw/zinc/01/13/70/179011370.db2.gz IZSVKRMTHCYPQL-UONOGXRCSA-N 2 0 256.434 2.377 10 0 CEAERP C[C@@H](C[C@](C)(O)C[NH3+])[NH+]1CCC2(CCCC2)CC1 ZINC000085302791 179011548 /nfs/dbraw/zinc/01/15/48/179011548.db2.gz RUPLSVONVMIIFN-KBPBESRZSA-N 2 0 254.418 2.131 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085359249 179031802 /nfs/dbraw/zinc/03/18/02/179031802.db2.gz MIMJQFAKQUKJFW-KBPBESRZSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624038 179106587 /nfs/dbraw/zinc/10/65/87/179106587.db2.gz JQGYMJGSTJVUIK-CABCVRRESA-N 2 0 278.444 2.372 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624043 179107266 /nfs/dbraw/zinc/10/72/66/179107266.db2.gz JQGYMJGSTJVUIK-HUUCEWRRSA-N 2 0 278.444 2.372 10 0 CEAERP C[C@H](Cn1c2c(nc1-c1ccccc1)C[NH2+]CC2)[NH+](C)C ZINC000085607090 179101139 /nfs/dbraw/zinc/10/11/39/179101139.db2.gz OGTLTJKLLYDMLL-CYBMUJFWSA-N 2 0 284.407 2.146 10 0 CEAERP CC(C)(C)[C@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613838 179103091 /nfs/dbraw/zinc/10/30/91/179103091.db2.gz YUIFZVMNAVFERM-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1nccn1CC[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085615133 179103676 /nfs/dbraw/zinc/10/36/76/179103676.db2.gz GGNIBEFODAFTRA-QGZVFWFLSA-N 2 0 290.455 2.436 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623649 179105263 /nfs/dbraw/zinc/10/52/63/179105263.db2.gz QXZNDYIPUPRXBK-BBRMVZONSA-N 2 0 276.428 2.044 10 0 CEAERP COCCOCC[N@@H+]1C[C@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625559 179106471 /nfs/dbraw/zinc/10/64/71/179106471.db2.gz IWZUXVMDBXJREN-DOTOQJQBSA-N 2 0 298.471 2.282 10 0 CEAERP C[NH+]1CCC(CN2CC[NH2+][C@@H](C3CCCCC3)C2)CC1 ZINC000086145661 179237801 /nfs/dbraw/zinc/23/78/01/179237801.db2.gz WSMZGIVKZBRYPB-QGZVFWFLSA-N 2 0 279.472 2.182 10 0 CEAERP C[NH+](C)CCCCN1CC[NH2+][C@@H](C2CCCCC2)C1 ZINC000086146704 179238370 /nfs/dbraw/zinc/23/83/70/179238370.db2.gz WYZWHCMNZPKWDZ-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH2+][C@](C)(c2ccccc2)C1 ZINC000086145808 179238421 /nfs/dbraw/zinc/23/84/21/179238421.db2.gz WNEADCUYTFEVGM-ROUUACIJSA-N 2 0 287.451 2.291 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086152546 179240615 /nfs/dbraw/zinc/24/06/15/179240615.db2.gz AJKJHOUKSZEKIO-IXDOHACOSA-N 2 0 279.472 2.035 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086153955 179241345 /nfs/dbraw/zinc/24/13/45/179241345.db2.gz WBIJVSRNDJOKFP-PVAVHDDUSA-N 2 0 281.488 2.425 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086172546 179244126 /nfs/dbraw/zinc/24/41/26/179244126.db2.gz OOGRVYDUIZSAOC-BRWVUGGUSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1CCCC[NH+](C)C ZINC000086174277 179245929 /nfs/dbraw/zinc/24/59/29/179245929.db2.gz DWEYKGVHHLCIQN-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217809 179249665 /nfs/dbraw/zinc/24/96/65/179249665.db2.gz FIRBVJXROBTDMH-UKRRQHHQSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223184 179251676 /nfs/dbraw/zinc/25/16/76/179251676.db2.gz VZGGZBNVCIBAJF-OWCLPIDISA-N 2 0 281.488 2.283 10 0 CEAERP CCC[NH+]1CCC(N2CC3(CCCC3)[NH2+]C[C@@H]2C)CC1 ZINC000086227314 179254605 /nfs/dbraw/zinc/25/46/05/179254605.db2.gz UWDBNUAPIBMJCP-HNNXBMFYSA-N 2 0 279.472 2.467 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259226 179258257 /nfs/dbraw/zinc/25/82/57/179258257.db2.gz OLRRCYQUADKSIX-DJIMGWMZSA-N 2 0 279.472 2.037 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259202 179258467 /nfs/dbraw/zinc/25/84/67/179258467.db2.gz YMFFJVNNIPVYDS-HYVNUMGLSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259590 179258663 /nfs/dbraw/zinc/25/86/63/179258663.db2.gz OVCHMINBZTYZQS-UAGQMJEPSA-N 2 0 277.456 2.076 10 0 CEAERP C[C@@H]1CN[C@@H](c2ccccc2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258976 179256358 /nfs/dbraw/zinc/25/63/58/179256358.db2.gz JQOWBEIKTRDVAT-CRAIPNDOSA-N 2 0 287.451 2.363 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000086293317 179266102 /nfs/dbraw/zinc/26/61/02/179266102.db2.gz CTNONUQHTWWCJL-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP C[NH+](C)CCCC[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086293292 179266520 /nfs/dbraw/zinc/26/65/20/179266520.db2.gz LLKLQNHNZRXTMU-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CCC1(CC)CN(CCCC[NH+](C)C)CCC[NH2+]1 ZINC000086293325 179267542 /nfs/dbraw/zinc/26/75/42/179267542.db2.gz CXWAAVLMNNQDTA-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[N@@H+]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1(C)C ZINC000086444164 179293460 /nfs/dbraw/zinc/29/34/60/179293460.db2.gz SFQVKIJHQHTXOG-JTQLQIEISA-N 2 0 280.441 2.010 10 0 CEAERP C[NH+](C)C1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])CC1 ZINC000086442777 179293808 /nfs/dbraw/zinc/29/38/08/179293808.db2.gz GPJQTOWXEXEUBO-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847743 179356071 /nfs/dbraw/zinc/35/60/71/179356071.db2.gz DHHJCQPZRQAUNF-IRXDYDNUSA-N 2 0 297.487 2.081 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847134 179356539 /nfs/dbraw/zinc/35/65/39/179356539.db2.gz GPLHQCASCGMYPX-QGZVFWFLSA-N 2 0 290.455 2.107 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccco2)CC1 ZINC000086846967 179357112 /nfs/dbraw/zinc/35/71/12/179357112.db2.gz NLJOORUQWZHPDJ-INIZCTEOSA-N 2 0 279.428 2.303 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835406 179349944 /nfs/dbraw/zinc/34/99/44/179349944.db2.gz YDFRJUGLDHLOFO-INIZCTEOSA-N 2 0 261.413 2.477 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCCN([C@@H]2CCC[N@H+](C)CC2)C1 ZINC000086833518 179350170 /nfs/dbraw/zinc/35/01/70/179350170.db2.gz AFKYWLSLIOCZJL-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086836115 179350686 /nfs/dbraw/zinc/35/06/86/179350686.db2.gz YORHTTPCISKVFP-HNNXBMFYSA-N 2 0 290.407 2.422 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000086840387 179351659 /nfs/dbraw/zinc/35/16/59/179351659.db2.gz HZDXCMZGWILONL-HNNXBMFYSA-N 2 0 295.471 2.097 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2ccc(O)cc2)CC1 ZINC000086842471 179353198 /nfs/dbraw/zinc/35/31/98/179353198.db2.gz YXDOVANYQSPWMM-HNNXBMFYSA-N 2 0 262.397 2.399 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000086844149 179354454 /nfs/dbraw/zinc/35/44/54/179354454.db2.gz VUCGHDPLIFWBSC-ZNMIVQPWSA-N 2 0 254.418 2.144 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N(CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC000086851101 179359303 /nfs/dbraw/zinc/35/93/03/179359303.db2.gz OBZKOEZJXUWICT-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC1CCC(O)(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000087044468 179388348 /nfs/dbraw/zinc/38/83/48/179388348.db2.gz PPDXQJSZBMBUDG-KEPFICHZSA-N 2 0 268.445 2.246 10 0 CEAERP C[C@H]([NH2+]CC1(O)CCCCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000087088925 179393383 /nfs/dbraw/zinc/39/33/83/179393383.db2.gz XXWPKYGJJNNMPL-LSDHHAIUSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087627039 179458470 /nfs/dbraw/zinc/45/84/70/179458470.db2.gz OVWWQPBQPVSKHW-CYBMUJFWSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088276441 179574074 /nfs/dbraw/zinc/57/40/74/179574074.db2.gz OEQZAEJYIPCKME-LSDHHAIUSA-N 2 0 285.476 2.090 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000088277462 179574348 /nfs/dbraw/zinc/57/43/48/179574348.db2.gz UALGSGBFIVYVHN-HZPDHXFCSA-N 2 0 295.471 2.084 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000088277015 179574396 /nfs/dbraw/zinc/57/43/96/179574396.db2.gz XHAYZFPLNWUVRW-CQSZACIVSA-N 2 0 297.487 2.377 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(COC)cc1 ZINC000088568880 179626374 /nfs/dbraw/zinc/62/63/74/179626374.db2.gz WTTZCODFSMGLRK-QGZVFWFLSA-N 2 0 293.455 2.106 10 0 CEAERP C[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccccc1Cl ZINC000104204329 185930448 /nfs/dbraw/zinc/93/04/48/185930448.db2.gz QYQLSAHDZMTUEB-OAHLLOKOSA-N 2 0 283.847 2.484 10 0 CEAERP CC1(C)CC(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000089395107 179780132 /nfs/dbraw/zinc/78/01/32/179780132.db2.gz MOJGPXLQOUPJRJ-TZMCWYRMSA-N 2 0 295.471 2.177 10 0 CEAERP C[N@H+](Cc1ccc(Cl)cc1)C[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090606677 180010974 /nfs/dbraw/zinc/01/09/74/180010974.db2.gz SYWWHXRSOCMWHB-KBPBESRZSA-N 2 0 268.788 2.136 10 0 CEAERP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000090776271 180038776 /nfs/dbraw/zinc/03/87/76/180038776.db2.gz NSTIURZKSSVUQP-NFAWXSAZSA-N 2 0 256.434 2.103 10 0 CEAERP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000090876296 180052449 /nfs/dbraw/zinc/05/24/49/180052449.db2.gz KSHJWHXVGDUHQX-OWCLPIDISA-N 2 0 274.408 2.439 10 0 CEAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1Cc2ccccc2O1 ZINC000090878909 180053239 /nfs/dbraw/zinc/05/32/39/180053239.db2.gz FPMQIKWIAJHVLH-MRXNPFEDSA-N 2 0 274.408 2.312 10 0 CEAERP CC[N@H+](C[C@@H](C)C[NH3+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090879174 180053342 /nfs/dbraw/zinc/05/33/42/180053342.db2.gz NSBSQJLYUMIKJN-FZMZJTMJSA-N 2 0 266.360 2.046 10 0 CEAERP CC(C)C[N@H+](CCC(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893381 180054893 /nfs/dbraw/zinc/05/48/93/180054893.db2.gz WHMUOKIZUJVLMO-AWEZNQCLSA-N 2 0 293.386 2.413 10 0 CEAERP CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2C[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090894353 180056119 /nfs/dbraw/zinc/05/61/19/180056119.db2.gz XVIOOXIQYCTUKS-SLBVQIDZSA-N 2 0 290.382 2.059 10 0 CEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000090900068 180059084 /nfs/dbraw/zinc/05/90/84/180059084.db2.gz DPDGEFPLCURRAO-RISCZKNCSA-N 2 0 280.799 2.314 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1csc(CC[NH3+])n1 ZINC000090958339 180074977 /nfs/dbraw/zinc/07/49/77/180074977.db2.gz XKWQRVVQKDKIDK-UHFFFAOYSA-N 2 0 285.457 2.281 10 0 CEAERP C[NH2+]Cc1cn(CC[NH+]2CCCCC2)c2ncccc12 ZINC000091019518 180087823 /nfs/dbraw/zinc/08/78/23/180087823.db2.gz SHYAXWOFADURAR-UHFFFAOYSA-N 2 0 272.396 2.242 10 0 CEAERP CC(C)C[NH2+]Cc1cn(CC[NH+](C)C)c2ncccc12 ZINC000091021104 180088627 /nfs/dbraw/zinc/08/86/27/180088627.db2.gz FJGBVJMQDHYHID-UHFFFAOYSA-N 2 0 274.412 2.344 10 0 CEAERP CC[C@@](C)(C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000669377179 539758482 /nfs/dbraw/zinc/75/84/82/539758482.db2.gz ISTLKHUXYVGBJT-INIZCTEOSA-N 2 0 276.424 2.389 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH2+]Cc1cncn1C1CC1 ZINC000091275894 180118566 /nfs/dbraw/zinc/11/85/66/180118566.db2.gz YSJPZUVECVJTKN-UHFFFAOYSA-N 2 0 264.417 2.428 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cncn1C1CC1 ZINC000091275385 180118626 /nfs/dbraw/zinc/11/86/26/180118626.db2.gz YWNXTESULCNGIY-IUODEOHRSA-N 2 0 262.401 2.338 10 0 CEAERP CCC(CC)[N@H+](CCOC)CC[C@@H]1CSCC[NH2+]1 ZINC000091292161 180123749 /nfs/dbraw/zinc/12/37/49/180123749.db2.gz XEZRKSHRHPMULJ-CYBMUJFWSA-N 2 0 274.474 2.219 10 0 CEAERP CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091431412 180153647 /nfs/dbraw/zinc/15/36/47/180153647.db2.gz HFUCVUHKUQSLNJ-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP CC(C)[NH2+]CC(C)(C)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091432884 180153652 /nfs/dbraw/zinc/15/36/52/180153652.db2.gz IHGSZAJXEVYLIK-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CC[NH2+]CC2CCCCC2)C1 ZINC000091432391 180153853 /nfs/dbraw/zinc/15/38/53/180153853.db2.gz YIAUUMYPAVLRDP-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH2+]Cc1cncc(OCC[NH+]2CCCCC2)n1 ZINC000091434553 180154355 /nfs/dbraw/zinc/15/43/55/180154355.db2.gz IEZRYCNZZIOYCQ-UHFFFAOYSA-N 2 0 292.427 2.087 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091450419 180157898 /nfs/dbraw/zinc/15/78/98/180157898.db2.gz ZDRHNSHCQJHHAO-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091392311 180144798 /nfs/dbraw/zinc/14/47/98/180144798.db2.gz XCONYSFBAJVMMN-BBWFWOEESA-N 2 0 275.440 2.491 10 0 CEAERP C[C@@H]1C[C@@H](C)CC(C[NH3+])(N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091392542 180144827 /nfs/dbraw/zinc/14/48/27/180144827.db2.gz XPMZHOWTGYNNMC-KFWWJZLASA-N 2 0 267.461 2.166 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2ccc(Cl)cc2)C1 ZINC000091393294 180145316 /nfs/dbraw/zinc/14/53/16/180145316.db2.gz HZQUULBQZGFHCY-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393936 180145372 /nfs/dbraw/zinc/14/53/72/180145372.db2.gz PVWPYVGTGXAJKJ-QLFBSQMISA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H](CN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091393395 180145427 /nfs/dbraw/zinc/14/54/27/180145427.db2.gz WCHOAKKGTIKECI-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H](CCC[C@H](C)[NH3+])C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091394837 180146232 /nfs/dbraw/zinc/14/62/32/180146232.db2.gz FKKDTVOEFVEYEA-ILXRZTDVSA-N 2 0 255.450 2.166 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)C[N@H+](CCO)C1CCCCC1 ZINC000091403844 180147022 /nfs/dbraw/zinc/14/70/22/180147022.db2.gz YFZINGGHMLPKJA-ZDUSSCGKSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000091404614 180147179 /nfs/dbraw/zinc/14/71/79/180147179.db2.gz VCGRTEZFQDQUAK-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)(C)[NH2+]CC[C@@](C)(O)[C@H]1[NH2+]CCc2ccccc21 ZINC000091519802 180178302 /nfs/dbraw/zinc/17/83/02/180178302.db2.gz NLJVNCBJOVLMTG-DOTOQJQBSA-N 2 0 276.424 2.403 10 0 CEAERP C[NH2+][C@@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCCCC1 ZINC000091654397 180217326 /nfs/dbraw/zinc/21/73/26/180217326.db2.gz AKMYEFSVQUHBLD-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1cc(C)cc(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091720831 180236246 /nfs/dbraw/zinc/23/62/46/180236246.db2.gz MDARXSNBLWEMRB-IXDOHACOSA-N 2 0 274.408 2.036 10 0 CEAERP CCC[N@H+](Cc1ncnn1C(C)C)C1CCC([NH3+])CC1 ZINC000091852503 180272866 /nfs/dbraw/zinc/27/28/66/180272866.db2.gz DNWUGHBBMXAXBR-UHFFFAOYSA-N 2 0 279.432 2.341 10 0 CEAERP CCN1CCC([N@H+](CC)C2CCC([NH3+])CC2)CC1 ZINC000091849980 180271897 /nfs/dbraw/zinc/27/18/97/180271897.db2.gz JHBJPVQSUHEHHJ-UHFFFAOYSA-N 2 0 253.434 2.063 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@](C)(O)c2ccccc2)CC1 ZINC000091870650 180277092 /nfs/dbraw/zinc/27/70/92/180277092.db2.gz AOZKNBGJYUGTBV-JCYILVPMSA-N 2 0 276.424 2.357 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)NCC(C)C)CC1 ZINC000091870140 180277261 /nfs/dbraw/zinc/27/72/61/180277261.db2.gz ZRYRAIIYFVXWJK-UHFFFAOYSA-N 2 0 283.460 2.001 10 0 CEAERP CC[NH+]1CCC(O)([C@@]2(C[NH3+])CCCc3ccccc32)CC1 ZINC000091906293 180284297 /nfs/dbraw/zinc/28/42/97/180284297.db2.gz LMTKEMLONXWLGY-QGZVFWFLSA-N 2 0 288.435 2.066 10 0 CEAERP CC[NH2+]Cc1cn(C[C@H]2C[N@H+](C)CCO2)c2ccccc12 ZINC000092060176 180315318 /nfs/dbraw/zinc/31/53/18/180315318.db2.gz GDMFYCOTVDJBTC-OAHLLOKOSA-N 2 0 287.407 2.081 10 0 CEAERP CC[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003688 180304204 /nfs/dbraw/zinc/30/42/04/180304204.db2.gz GVENNZOYCOWBSQ-CABCVRRESA-N 2 0 277.412 2.058 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003614 180304481 /nfs/dbraw/zinc/30/44/81/180304481.db2.gz OPQYXSCEPWBTRJ-CVEARBPZSA-N 2 0 291.439 2.446 10 0 CEAERP C[NH2+]Cc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003544 180304586 /nfs/dbraw/zinc/30/45/86/180304586.db2.gz NOWXRJKSAPFQTG-SJORKVTESA-N 2 0 273.424 2.075 10 0 CEAERP COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C(N)=[NH2+] ZINC000092085693 180320546 /nfs/dbraw/zinc/32/05/46/180320546.db2.gz IDFXQGIENBWYBY-QWRGUYRKSA-N 2 0 261.369 2.067 10 0 CEAERP C[C@H]1C[NH+](CC2(C[NH2+]C3CC3)CCOCC2)C[C@@H]1C ZINC000092088349 180321758 /nfs/dbraw/zinc/32/17/58/180321758.db2.gz VYXXIAPWQPJECQ-KBPBESRZSA-N 2 0 266.429 2.123 10 0 CEAERP NC(=[NH2+])C1CC[NH+](CCSc2ccccc2)CC1 ZINC000092262373 180354650 /nfs/dbraw/zinc/35/46/50/180354650.db2.gz YVQSXTOQGZBDJK-UHFFFAOYSA-N 2 0 263.410 2.427 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092298046 180358493 /nfs/dbraw/zinc/35/84/93/180358493.db2.gz IRDCQBUUZHVHLU-UKRRQHHQSA-N 2 0 274.408 2.483 10 0 CEAERP COc1ccc(CC[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000105927127 186092149 /nfs/dbraw/zinc/09/21/49/186092149.db2.gz KVMHCNHTADYVLN-UHFFFAOYSA-N 2 0 264.413 2.415 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1F ZINC000110977861 186338569 /nfs/dbraw/zinc/33/85/69/186338569.db2.gz WXNUWGKYABPZHF-GDBMZVCRSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000110977965 186338680 /nfs/dbraw/zinc/33/86/80/186338680.db2.gz PSMZTGQGQLOPKQ-CZUORRHYSA-N 2 0 279.403 2.017 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705347 186313917 /nfs/dbraw/zinc/31/39/17/186313917.db2.gz UJLDCNCYDYXQKQ-HIFRSBDPSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@@H]1CN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703909 186314161 /nfs/dbraw/zinc/31/41/61/186314161.db2.gz MAJWDXOOFLQURM-FVQBIDKESA-N 2 0 261.413 2.101 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110704803 186314626 /nfs/dbraw/zinc/31/46/26/186314626.db2.gz XVDGCGFPXWUZNT-OCCSQVGLSA-N 2 0 265.401 2.002 10 0 CEAERP C[C@H](c1ccccc1)[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711745 186315238 /nfs/dbraw/zinc/31/52/38/186315238.db2.gz NSPSFPRERFUEAK-GDBMZVCRSA-N 2 0 275.440 2.143 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CC[N@@H+]1C ZINC000110710352 186316007 /nfs/dbraw/zinc/31/60/07/186316007.db2.gz XHMAAWSTGSBXQB-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP CC[N@@H+]1CCN(CC[NH2+]Cc2sccc2C)C[C@@H]1C ZINC000110756885 186319683 /nfs/dbraw/zinc/31/96/83/186319683.db2.gz QGMDRAHFYUGECO-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP CC[C@H]1CN(CC[NH2+][C@@H](C)c2cccs2)CC[N@@H+]1C ZINC000110757096 186319875 /nfs/dbraw/zinc/31/98/75/186319875.db2.gz AYEXOCPFNBOFFY-KBPBESRZSA-N 2 0 281.469 2.425 10 0 CEAERP C[C@@H](C[NH2+]C1CCCCC1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757698 186321146 /nfs/dbraw/zinc/32/11/46/186321146.db2.gz JLXBDPIOPJCJMH-AWEZNQCLSA-N 2 0 267.461 2.323 10 0 CEAERP C[N@@H+]1CCN(CC(C)(C)C[NH2+]C(C)(C)C)CC1(C)C ZINC000110747347 186321546 /nfs/dbraw/zinc/32/15/46/186321546.db2.gz QYRQSRDYMBUXFC-UHFFFAOYSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCN(Cc2ccoc2C[NH2+]C(C)C)C[C@@H]1C ZINC000110752573 186321695 /nfs/dbraw/zinc/32/16/95/186321695.db2.gz MALMWJQMOXOCGI-AWEZNQCLSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110751549 186321820 /nfs/dbraw/zinc/32/18/20/186321820.db2.gz XZYRGCWWRJOBLO-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CC[N@@H+]1CCN(c2ncc(C[NH2+]C(C)C)s2)C[C@@H]1C ZINC000110758501 186321942 /nfs/dbraw/zinc/32/19/42/186321942.db2.gz AVLJTJAJFQESRU-LBPRGKRZSA-N 2 0 282.457 2.172 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110770458 186323234 /nfs/dbraw/zinc/32/32/34/186323234.db2.gz UZKIXDFCQXEFPW-GFCCVEGCSA-N 2 0 290.411 2.264 10 0 CEAERP C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)CCC[NH+](C)C ZINC000111151114 186360878 /nfs/dbraw/zinc/36/08/78/186360878.db2.gz XDMQFTLFQVOQTD-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@H]1CCC[C@@H]([NH2+]CCN(C)CCC[NH+](C)C)C1 ZINC000111150849 186360924 /nfs/dbraw/zinc/36/09/24/186360924.db2.gz BGBLJERJMSJMSD-LSDHHAIUSA-N 2 0 255.450 2.038 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149718 186360978 /nfs/dbraw/zinc/36/09/78/186360978.db2.gz SUKAVSHERFYGNE-GFCCVEGCSA-N 2 0 278.400 2.122 10 0 CEAERP Cc1nc(N(C)CCC[NH+](C)C)sc1C[NH2+]C(C)C ZINC000111151963 186361128 /nfs/dbraw/zinc/36/11/28/186361128.db2.gz TUOQDPZIOLWXFW-UHFFFAOYSA-N 2 0 284.473 2.337 10 0 CEAERP CCOCC[N@H+](CC)CCCOc1ccccc1C[NH3+] ZINC000111117235 186355375 /nfs/dbraw/zinc/35/53/75/186355375.db2.gz YHUOQOVAXFFVON-UHFFFAOYSA-N 2 0 280.412 2.273 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(C)CC[NH+](C)C ZINC000111129938 186356078 /nfs/dbraw/zinc/35/60/78/186356078.db2.gz IFFKVGGDCKFPPW-FZMZJTMJSA-N 2 0 269.820 2.222 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N(C)CC[NH+](C)C ZINC000111130196 186356393 /nfs/dbraw/zinc/35/63/93/186356393.db2.gz ZFUBLZJLNGASBA-SMDDNHRTSA-N 2 0 269.820 2.222 10 0 CEAERP CCOc1ccc([C@@H](C)[NH2+]C)cc1CN(C)CC[NH+](C)C ZINC000111134745 186357207 /nfs/dbraw/zinc/35/72/07/186357207.db2.gz XWULUMDTBOSHPW-CQSZACIVSA-N 2 0 293.455 2.359 10 0 CEAERP CN(CC[NH+](C)C)C[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000111134358 186357281 /nfs/dbraw/zinc/35/72/81/186357281.db2.gz WWKQWEDURSFUHK-KRWDZBQOSA-N 2 0 271.408 2.333 10 0 CEAERP CC[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111136056 186357679 /nfs/dbraw/zinc/35/76/79/186357679.db2.gz GDBHVGCKTATYHT-MRXNPFEDSA-N 2 0 263.429 2.221 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)CCC[NH+](C)C ZINC000111135961 186357817 /nfs/dbraw/zinc/35/78/17/186357817.db2.gz HBKAROUHMCLFEV-LSDHHAIUSA-N 2 0 257.466 2.427 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N(C)CC[NH+](C)C ZINC000111134500 186357876 /nfs/dbraw/zinc/35/78/76/186357876.db2.gz RNGJPBLVQMJOPI-DLBZAZTESA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@H](CCN(C)CC[NH+](C)C)C(C)(C)C ZINC000111146792 186358259 /nfs/dbraw/zinc/35/82/59/186358259.db2.gz KHOITNLTHGXSPZ-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)CN(C)CC[NH+](C)C ZINC000111147266 186358275 /nfs/dbraw/zinc/35/82/75/186358275.db2.gz UIIBEQWVGRNZCQ-HOCLYGCPSA-N 2 0 263.429 2.077 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(C)CC[NH+](C)C ZINC000111147111 186358669 /nfs/dbraw/zinc/35/86/69/186358669.db2.gz UDMPNUNFSJONOF-XHSDSOJGSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH2+]Cc1cnc(N(C)CCC[NH+](C)C)c(Cl)c1 ZINC000111149193 186358734 /nfs/dbraw/zinc/35/87/34/186358734.db2.gz WOXFHNXLYDJYCN-UHFFFAOYSA-N 2 0 284.835 2.232 10 0 CEAERP CC[C@@](C)(C[NH2+]CC(C)C)CN(C)CC[NH+](C)C ZINC000111147221 186358886 /nfs/dbraw/zinc/35/88/86/186358886.db2.gz SBATVQWCMNXIEY-HNNXBMFYSA-N 2 0 257.466 2.142 10 0 CEAERP CN(CCC[NH+](C)C)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000111151984 186359903 /nfs/dbraw/zinc/35/99/03/186359903.db2.gz DTWNCQCVMOCJNY-UHFFFAOYSA-N 2 0 284.473 2.287 10 0 CEAERP C[N@H+](CCC[C@@H]1CCC[NH2+]C1)CC1CCOCC1 ZINC000111179419 186366084 /nfs/dbraw/zinc/36/60/84/186366084.db2.gz NSVWLFGPOOISOI-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP CC1CC[NH+](C[C@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111323619 186396541 /nfs/dbraw/zinc/39/65/41/186396541.db2.gz NOURUZLSTQKKAQ-MRXNPFEDSA-N 2 0 266.429 2.267 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[N@H+](C)CC2CC2)CCCOC1 ZINC000111326070 186398293 /nfs/dbraw/zinc/39/82/93/186398293.db2.gz JOJZOJUESQFREF-INIZCTEOSA-N 2 0 268.445 2.371 10 0 CEAERP C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000111267028 186383233 /nfs/dbraw/zinc/38/32/33/186383233.db2.gz OLZVKNVVVJHJRY-ZFWWWQNUSA-N 2 0 287.407 2.076 10 0 CEAERP Cc1c[nH+]ccc1N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000630525338 351772589 /nfs/dbraw/zinc/77/25/89/351772589.db2.gz DSWQDTHQYVQWFP-WDEREUQCSA-N 2 0 273.302 2.354 10 0 CEAERP C[C@@H]([NH3+])CC[NH2+]Cc1cc(Br)cs1 ZINC000070600570 363100978 /nfs/dbraw/zinc/10/09/78/363100978.db2.gz OMVZDVYAYPSLGU-SSDOTTSWSA-N 2 0 263.204 2.338 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1cccc(F)c1Br ZINC000575440032 366288099 /nfs/dbraw/zinc/28/80/99/366288099.db2.gz HUIDNHYTWFZQPS-VIFPVBQESA-N 2 0 261.138 2.327 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000578303815 366472908 /nfs/dbraw/zinc/47/29/08/366472908.db2.gz ULPRXLMFFZZMMN-JSGCOSHPSA-N 2 0 250.361 2.346 10 0 CEAERP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cncn3C)C2)[nH+]1 ZINC000177034718 189022274 /nfs/dbraw/zinc/02/22/74/189022274.db2.gz RNTIWNVYXKESSP-AWEZNQCLSA-N 2 0 285.395 2.058 10 0 CEAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121096705 365523795 /nfs/dbraw/zinc/52/37/95/365523795.db2.gz HVYDIVDXUORYME-CYBMUJFWSA-N 2 0 280.412 2.113 10 0 CEAERP C[C@H]1C[N@H+](CCSc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000631837693 367576771 /nfs/dbraw/zinc/57/67/71/367576771.db2.gz WFIHSTUJTNAMJS-RYUDHWBXSA-N 2 0 268.401 2.444 10 0 CEAERP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178982730 368319015 /nfs/dbraw/zinc/31/90/15/368319015.db2.gz RPJIBFHLEFGALJ-INIZCTEOSA-N 3 0 288.439 2.123 10 0 CEAERP COc1ccc([C@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194540685 370048322 /nfs/dbraw/zinc/04/83/22/370048322.db2.gz WMHNOCHDDYAIBU-BMFZPTHFSA-N 2 0 274.408 2.292 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000251435991 371401764 /nfs/dbraw/zinc/40/17/64/371401764.db2.gz UDKCYTSWLQESGS-OWCLPIDISA-N 2 0 297.487 2.105 10 0 CEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000252716370 371473106 /nfs/dbraw/zinc/47/31/06/371473106.db2.gz YHAVQLFBQVKALF-RRFJBIMHSA-N 2 0 267.461 2.178 10 0 CEAERP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261549259 371643107 /nfs/dbraw/zinc/64/31/07/371643107.db2.gz OKYAYGMRFVEIPI-NXHRZFHOSA-N 2 0 287.451 2.381 10 0 CEAERP CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261579779 371659178 /nfs/dbraw/zinc/65/91/78/371659178.db2.gz DXLJHONWXHRZEF-CFVMTHIKSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765180 371723143 /nfs/dbraw/zinc/72/31/43/371723143.db2.gz OCTVSOGPCIZWNQ-HRCADAONSA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCSC2)C[C@H]1c1ccccc1 ZINC000261822985 371744332 /nfs/dbraw/zinc/74/43/32/371744332.db2.gz ILSWYHPKGUPKSV-BMFZPTHFSA-N 2 0 276.449 2.414 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844823 371747887 /nfs/dbraw/zinc/74/78/87/371747887.db2.gz WBETWCVKQSJNIF-FPMFFAJLSA-N 2 0 282.334 2.457 10 0 CEAERP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000261932017 371774999 /nfs/dbraw/zinc/77/49/99/371774999.db2.gz LQTXVNCDICMHQZ-ZNMIVQPWSA-N 2 0 282.428 2.088 10 0 CEAERP C[C@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089369 371821573 /nfs/dbraw/zinc/82/15/73/371821573.db2.gz UROOZXNVSBRPEW-YOEHRIQHSA-N 2 0 297.402 2.440 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000389868487 375307869 /nfs/dbraw/zinc/30/78/69/375307869.db2.gz NHIZZSXNIYBBCZ-SPUZQDLCSA-N 2 0 287.451 2.224 10 0 CEAERP C1CCC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCO[C@H]12 ZINC000423021595 376936388 /nfs/dbraw/zinc/93/63/88/376936388.db2.gz CLIQTDUMWUUKPR-KBUPBQIOSA-N 2 0 264.413 2.066 10 0 CEAERP CC[NH2+][C@](C)(CO)CCCC[NH+]1CCC(C)CC1 ZINC000085217851 184605761 /nfs/dbraw/zinc/60/57/61/184605761.db2.gz DBYXQCIRKLWQHK-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP CCC[NH+](CCC)[C@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085238870 184607045 /nfs/dbraw/zinc/60/70/45/184607045.db2.gz OZSFVYKFKBQPIB-HIFRSBDPSA-N 2 0 256.434 2.390 10 0 CEAERP CC(C)[NH2+]C[C@H](C)[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000093070701 184646345 /nfs/dbraw/zinc/64/63/45/184646345.db2.gz ZQNAGGLSANUBCH-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1ncsc1C[NH2+]CC1CCC(C[NH3+])CC1 ZINC000093426423 184674204 /nfs/dbraw/zinc/67/42/04/184674204.db2.gz IAIINKVPOLEFJP-UHFFFAOYSA-N 2 0 253.415 2.306 10 0 CEAERP C[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@]2(CO)[NH2+]C2CC2)C1 ZINC000093617176 184695795 /nfs/dbraw/zinc/69/57/95/184695795.db2.gz ABXKGQIMIKFVSW-YCPHGPKFSA-N 2 0 266.429 2.002 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H](N(C)CC[NH+]2CCCC2)C1 ZINC000093730585 184710159 /nfs/dbraw/zinc/71/01/59/184710159.db2.gz AIAIHUODRZOQNV-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CCCCCC[C@](C)(C[NH3+])N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094458721 184804234 /nfs/dbraw/zinc/80/42/34/184804234.db2.gz HWUUDTHBMUPCIX-HZPDHXFCSA-N 2 0 267.461 2.454 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000094370496 184790540 /nfs/dbraw/zinc/79/05/40/184790540.db2.gz FYXBDPCKZFDXJM-KBPBESRZSA-N 2 0 286.485 2.361 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C[NH3+])CC(C)C ZINC000094698654 184842271 /nfs/dbraw/zinc/84/22/71/184842271.db2.gz OHUZUTXIDXKDKX-MRXNPFEDSA-N 2 0 299.503 2.434 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2C[NH3+])C1 ZINC000091393824 135068935 /nfs/dbraw/zinc/06/89/35/135068935.db2.gz FDGSDVCCCPEMGW-ZDUSSCGKSA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2ccc(C(N)=[NH2+])c(Cl)c2)C1 ZINC000091393959 135069065 /nfs/dbraw/zinc/06/90/65/135069065.db2.gz HINVZLNROLBFNY-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000091545236 135071839 /nfs/dbraw/zinc/07/18/39/135071839.db2.gz AZNFSSIDXRMIQX-HIFRSBDPSA-N 2 0 277.387 2.075 10 0 CEAERP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1OCC ZINC000398314336 395233740 /nfs/dbraw/zinc/23/37/40/395233740.db2.gz BXNLRIFTVPVOHW-AWEZNQCLSA-N 2 0 278.396 2.183 10 0 CEAERP O[C@H]1CCC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000383358408 395186121 /nfs/dbraw/zinc/18/61/21/395186121.db2.gz DGMRTFVEGUSYAA-RDJZCZTQSA-N 2 0 280.456 2.488 10 0 CEAERP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000384436401 395193818 /nfs/dbraw/zinc/19/38/18/395193818.db2.gz XGQGTLRLNDYNKD-WFASDCNBSA-N 2 0 275.396 2.075 10 0 CEAERP [NH3+][C@@H]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000307019030 400337656 /nfs/dbraw/zinc/33/76/56/400337656.db2.gz RPYQUPNCZJVRGR-HRBLRVMOSA-N 2 0 285.435 2.215 10 0 CEAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000191804991 153187761 /nfs/dbraw/zinc/18/77/61/153187761.db2.gz KNFSBKFLGCABRO-MRXNPFEDSA-N 2 0 278.444 2.388 10 0 CEAERP Cc1ccccc1-c1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263193501 154031737 /nfs/dbraw/zinc/03/17/37/154031737.db2.gz IDORJEWCIYWQGS-PKOBYXMFSA-N 2 0 296.414 2.332 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000263206521 154035361 /nfs/dbraw/zinc/03/53/61/154035361.db2.gz JTRDUXJBYOTWIA-SYAUCNOPSA-N 2 0 294.826 2.146 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(C)Cc2ccccc2)CC1 ZINC000019475076 170807058 /nfs/dbraw/zinc/80/70/58/170807058.db2.gz BNKBSOVLDCJYQL-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC000020049242 170979021 /nfs/dbraw/zinc/97/90/21/170979021.db2.gz GKAPFAKUMXIWBZ-CQSZACIVSA-N 2 0 291.439 2.386 10 0 CEAERP C[N@@H+]1CCCN(C2(C[NH3+])CCCCCCC2)CC1 ZINC000020217739 171079498 /nfs/dbraw/zinc/07/94/98/171079498.db2.gz KKWMNWJUMUNBRN-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP C[NH+](C)[C@H](CC[NH3+])COc1cccc2ccccc21 ZINC000020401643 171182068 /nfs/dbraw/zinc/18/20/68/171182068.db2.gz HRVIAPDGCIQSGZ-CQSZACIVSA-N 2 0 258.365 2.498 10 0 CEAERP Cc1cc(C)cc(OC[C@@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020402083 171182124 /nfs/dbraw/zinc/18/21/24/171182124.db2.gz QDZJDWAEIZSXAJ-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000022152422 171359536 /nfs/dbraw/zinc/35/95/36/171359536.db2.gz DVFVGOOQZMXYSG-OLZOCXBDSA-N 2 0 275.396 2.204 10 0 CEAERP CC1CC[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000022153618 171360945 /nfs/dbraw/zinc/36/09/45/171360945.db2.gz LHEJIFAFISJTAM-UHFFFAOYSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000022154721 171361722 /nfs/dbraw/zinc/36/17/22/171361722.db2.gz OFRKJKUYWATLSY-OLZOCXBDSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)CC1 ZINC000022155321 171361810 /nfs/dbraw/zinc/36/18/10/171361810.db2.gz HHUCCTTVLCHESB-CYBMUJFWSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000022154777 171362069 /nfs/dbraw/zinc/36/20/69/171362069.db2.gz AAQNNPSJVAEWLA-STQMWFEESA-N 2 0 275.396 2.347 10 0 CEAERP CC[NH+]1CCN(C[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC000022565643 171391700 /nfs/dbraw/zinc/39/17/00/171391700.db2.gz MDEOJFQZPSXQGX-LESVLKBLSA-N 2 0 291.483 2.168 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)s1 ZINC000036906739 172795081 /nfs/dbraw/zinc/79/50/81/172795081.db2.gz PDRPTSQBJCYOET-ZDUSSCGKSA-N 2 0 267.442 2.082 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCC(=O)OC ZINC000037286532 173092471 /nfs/dbraw/zinc/09/24/71/173092471.db2.gz CVTHXZPROSLVMX-ZDUSSCGKSA-N 2 0 258.406 2.040 10 0 CEAERP CC[NH+]1CCC(N[C@@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000038098048 174112832 /nfs/dbraw/zinc/11/28/32/174112832.db2.gz RKFMIEFCFBFHFB-GJZGRUSLSA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+]C[C@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693737 174377804 /nfs/dbraw/zinc/37/78/04/174377804.db2.gz NICGZGXBDHNTON-OAHLLOKOSA-N 2 0 277.412 2.230 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccccc2C)CC1 ZINC000042615814 174828820 /nfs/dbraw/zinc/82/88/20/174828820.db2.gz BYBWEYGVSCDOMQ-QGZVFWFLSA-N 2 0 275.440 2.411 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042748519 174866410 /nfs/dbraw/zinc/86/64/10/174866410.db2.gz PVMVDTAWAFAJCM-SJORKVTESA-N 2 0 275.440 2.131 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CCC([NH+](C)C)CC1 ZINC000043335171 175011066 /nfs/dbraw/zinc/01/10/66/175011066.db2.gz PKEXNEJEJOWQTP-DZGCQCFKSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](CC)CC1 ZINC000043336249 175012214 /nfs/dbraw/zinc/01/22/14/175012214.db2.gz PUEIOCFDGPDKAU-HOCLYGCPSA-N 2 0 279.428 2.474 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340475 175014532 /nfs/dbraw/zinc/01/45/32/175014532.db2.gz WUMUFOVNZHYITF-DOTOQJQBSA-N 2 0 290.455 2.134 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[NH+](C(C)C)CC2)c1 ZINC000043394171 175035086 /nfs/dbraw/zinc/03/50/86/175035086.db2.gz CLTQIZLDEGKDDK-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815237 175111776 /nfs/dbraw/zinc/11/17/76/175111776.db2.gz SQHAXTGRBKDHMJ-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818465 175112870 /nfs/dbraw/zinc/11/28/70/175112870.db2.gz AVGZFMWQRXJICZ-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000043818523 175113396 /nfs/dbraw/zinc/11/33/96/175113396.db2.gz MSJJIZPSCVZGGH-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CC[NH+](C(C)C)CC1 ZINC000043896976 175120058 /nfs/dbraw/zinc/12/00/58/175120058.db2.gz VLKIPPZMEYDFIH-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H](CC)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965613 175127202 /nfs/dbraw/zinc/12/72/02/175127202.db2.gz QKWZJMPWZXSHNJ-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965734 175127319 /nfs/dbraw/zinc/12/73/19/175127319.db2.gz RWGKJIYOAAQADZ-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073257 175302569 /nfs/dbraw/zinc/30/25/69/175302569.db2.gz ZRNNDKIDIJSTHT-BZUAXINKSA-N 2 0 266.429 2.408 10 0 CEAERP CC(C)CCOCC[NH+]1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000045109377 175309295 /nfs/dbraw/zinc/30/92/95/175309295.db2.gz HTLXONJLOVKBLC-HUUCEWRRSA-N 2 0 256.434 2.227 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000045171442 175321110 /nfs/dbraw/zinc/32/11/10/175321110.db2.gz RQRRCUOPBLFXED-FZMZJTMJSA-N 2 0 276.428 2.172 10 0 CEAERP CCCC[N@H+](CC)CCC[C@](C)([NH3+])C(=O)OCC ZINC000045370637 175364454 /nfs/dbraw/zinc/36/44/54/175364454.db2.gz KTWMXUFYDBQYLJ-AWEZNQCLSA-N 2 0 258.406 2.169 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)CC(C)C ZINC000045381749 175370055 /nfs/dbraw/zinc/37/00/55/175370055.db2.gz BDLKOYKTFRXQRP-MRXNPFEDSA-N 2 0 283.460 2.131 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](CC)CC(C)C)C(N)=O ZINC000045381722 175370350 /nfs/dbraw/zinc/37/03/50/175370350.db2.gz NLTWYSABAKSWEM-INIZCTEOSA-N 2 0 285.476 2.378 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](CCC)C(C)C)C(N)=O ZINC000045386047 175372136 /nfs/dbraw/zinc/37/21/36/175372136.db2.gz WBENEIXGQISQQD-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCCCC[N@H+](C)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045387992 175373721 /nfs/dbraw/zinc/37/37/21/175373721.db2.gz NBIDKSLPNNIUFY-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP c1ccc(C[N@H+]2C[C@H](CN[C@@H]3CC[NH2+]C3)C3(CCC3)C2)cc1 ZINC000665277293 415671182 /nfs/dbraw/zinc/67/11/82/415671182.db2.gz YKSYOXBOQXABPF-ZWKOTPCHSA-N 2 0 299.462 2.240 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188097 176061306 /nfs/dbraw/zinc/06/13/06/176061306.db2.gz OKGCUUBLTOPYFF-UMVBOHGHSA-N 2 0 281.469 2.410 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000071187941 176061712 /nfs/dbraw/zinc/06/17/12/176061712.db2.gz DURMEROFAILKOS-DOMZBBRYSA-N 2 0 281.831 2.223 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188114 176062875 /nfs/dbraw/zinc/06/28/75/176062875.db2.gz QQXUANWICXTBTG-XOKHGSTOSA-N 2 0 293.430 2.488 10 0 CEAERP CCC[C@H]1CC[C@@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188221 176063200 /nfs/dbraw/zinc/06/32/00/176063200.db2.gz QQFJLNSMDZZAGG-VVLHAWIVSA-N 2 0 281.488 2.414 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188618 176063486 /nfs/dbraw/zinc/06/34/86/176063486.db2.gz NXFQYKWICBSDKC-NVXWUHKLSA-N 2 0 275.440 2.132 10 0 CEAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccc(C)cc1C ZINC000071188854 176063744 /nfs/dbraw/zinc/06/37/44/176063744.db2.gz UHIFMSCWUDFMDA-SJLPKXTDSA-N 2 0 289.467 2.447 10 0 CEAERP Cc1ccc([C@H](O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190635 176068666 /nfs/dbraw/zinc/06/86/66/176068666.db2.gz JCXQXWZLTWSLCL-ZMSDIMECSA-N 2 0 276.424 2.300 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191383 176069882 /nfs/dbraw/zinc/06/98/82/176069882.db2.gz YSZJRHVRDJCJBL-IKGGRYGDSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+]Cc1cnc(N(C)C[C@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC000071191745 176071048 /nfs/dbraw/zinc/07/10/48/176071048.db2.gz OVFFCNFQQLUAPW-LBPRGKRZSA-N 2 0 296.846 2.232 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191933 176072789 /nfs/dbraw/zinc/07/27/89/176072789.db2.gz QUKRPGLLFYFRRR-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CCC[NH2+][C@@H]1CCN(CCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071198139 176077035 /nfs/dbraw/zinc/07/70/35/176077035.db2.gz MLUBGTVNDIRPMN-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200591 176077474 /nfs/dbraw/zinc/07/74/74/176077474.db2.gz PYPZMYBZPXFYDP-HOTGVXAUSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCC(N2CCC[C@H]([NH2+]C3CC3)C2)CC1 ZINC000071201398 176078104 /nfs/dbraw/zinc/07/81/04/176078104.db2.gz XBKKKYVZFOCAND-HNNXBMFYSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+]CCCCCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000071290011 176110647 /nfs/dbraw/zinc/11/06/47/176110647.db2.gz QDPJTXMEJRITSQ-MRXNPFEDSA-N 2 0 267.461 2.326 10 0 CEAERP C[NH+](C)CCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398434 176151743 /nfs/dbraw/zinc/15/17/43/176151743.db2.gz NACIDQRLRLAFJH-UHFFFAOYSA-N 2 0 262.275 2.105 10 0 CEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C1 ZINC000390555421 262216344 /nfs/dbraw/zinc/21/63/44/262216344.db2.gz LFUUICPNYHESCS-IRXDYDNUSA-N 2 0 287.451 2.239 10 0 CEAERP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236697456 278539286 /nfs/dbraw/zinc/53/92/86/278539286.db2.gz NVJTVQDROIOMHZ-HOTGVXAUSA-N 2 0 295.471 2.132 10 0 CEAERP CCC1(C[NH2+]CC2(C)CC[NH2+]CC2)CCOCC1 ZINC000261584664 278640119 /nfs/dbraw/zinc/64/01/19/278640119.db2.gz SMYKDFGSQMOLHF-UHFFFAOYSA-N 2 0 254.418 2.173 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000093490932 279322773 /nfs/dbraw/zinc/32/27/73/279322773.db2.gz HCXWHWKMMJJCEV-VVLHAWIVSA-N 2 0 279.472 2.371 10 0 CEAERP O[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)C[NH+]1CCCCC1 ZINC000324941589 280602647 /nfs/dbraw/zinc/60/26/47/280602647.db2.gz XRHYCXJRBHDLJC-HOTGVXAUSA-N 2 0 266.429 2.002 10 0 CEAERP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000516272847 313085916 /nfs/dbraw/zinc/08/59/16/313085916.db2.gz MZURLLMHXHEIDL-NUJGCVRESA-N 2 0 289.467 2.485 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515156 519929269 /nfs/dbraw/zinc/92/92/69/519929269.db2.gz YXDLHZUBIPIZLB-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+][C@@H](CC)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979352 519993652 /nfs/dbraw/zinc/99/36/52/519993652.db2.gz CYIBVVMNYFDUAF-JYJNAYRXSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]Cc1coc(C[N@H+](CC)[C@H](C)COC)c1 ZINC000052504906 520017564 /nfs/dbraw/zinc/01/75/64/520017564.db2.gz CGQMMFHJZLBLEO-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CCC[C@@](C)(C[NH3+])CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072078 520909535 /nfs/dbraw/zinc/90/95/35/520909535.db2.gz NEOLEMJFEKEOFU-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP CC[N@H+](CCOC)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560304 521135630 /nfs/dbraw/zinc/13/56/30/521135630.db2.gz BDEDAVNANWKOJH-ILXRZTDVSA-N 2 0 256.434 2.354 10 0 CEAERP CC[N@H+](CCOC)Cc1ccoc1C[NH2+]CC(C)C ZINC000052542806 521134141 /nfs/dbraw/zinc/13/41/41/521134141.db2.gz LKHKRXZYHGOXAT-UHFFFAOYSA-N 2 0 268.401 2.494 10 0 CEAERP CCC[C@](C)(C[NH2+]C(C)C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969882 521267426 /nfs/dbraw/zinc/26/74/26/521267426.db2.gz VIEPDOXPGAKAAV-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000052543929 521566168 /nfs/dbraw/zinc/56/61/68/521566168.db2.gz MZOSYHLHAWAEDN-MRXNPFEDSA-N 2 0 267.461 2.179 10 0 CEAERP CCCN(CC[NH+](C)C)CC(C)(C)C[NH2+]C(C)C ZINC000051254316 521656305 /nfs/dbraw/zinc/65/63/05/521656305.db2.gz NZBCOCAYYPTKKO-UHFFFAOYSA-N 2 0 257.466 2.284 10 0 CEAERP C[NH2+]CC1(C[N@H+](CC(C)C)C2CC2)CCOCC1 ZINC000052182789 521969028 /nfs/dbraw/zinc/96/90/28/521969028.db2.gz CHKKELZNDJMRTN-UHFFFAOYSA-N 2 0 254.418 2.123 10 0 CEAERP C[NH2+]Cc1c2ccccc2oc1COCC[NH+](C)C ZINC000052669794 522103177 /nfs/dbraw/zinc/10/31/77/522103177.db2.gz DAQXPOMDYUXSKE-UHFFFAOYSA-N 2 0 262.353 2.230 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]CC(C)C)CC1 ZINC000055074881 522128110 /nfs/dbraw/zinc/12/81/10/522128110.db2.gz NNBQFLGLRLHAPS-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074107 522132776 /nfs/dbraw/zinc/13/27/76/522132776.db2.gz BBPDBUGQIPAWFJ-ZIAGYGMSSA-N 2 0 255.450 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263.385 2.075 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000062970284 519908551 /nfs/dbraw/zinc/90/85/51/519908551.db2.gz NZCFOMBGCASBQE-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CCOC)[C@@H](C)C2CC2)CCOCC1 ZINC000052183367 519912985 /nfs/dbraw/zinc/91/29/85/519912985.db2.gz AMHWHXNXMBAWDP-HNNXBMFYSA-N 2 0 298.471 2.140 10 0 CEAERP CC[NH2+]CCC(=O)Nc1ccccc1C[NH+](CC)CC ZINC000061292843 519918686 /nfs/dbraw/zinc/91/86/86/519918686.db2.gz DQYYMKWAOMTIDV-UHFFFAOYSA-N 2 0 277.412 2.467 10 0 CEAERP CC[NH2+]CCC[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000052503363 519919855 /nfs/dbraw/zinc/91/98/55/519919855.db2.gz GSCRADBHXAUUII-OAHLLOKOSA-N 2 0 257.466 2.284 10 0 CEAERP CC[NH2+]CCC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515386 519920168 /nfs/dbraw/zinc/92/01/68/519920168.db2.gz AMNGYNYUHUHBSY-AWEZNQCLSA-N 3 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCCCCCC2)O1 ZINC000052425071 519953876 /nfs/dbraw/zinc/95/38/76/519953876.db2.gz 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CC[NH+]1CCC(N(C)[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543951 521567657 /nfs/dbraw/zinc/56/76/57/521567657.db2.gz OFAFCWBDNLRQOV-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CCOc1ccccc1[C@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643518 521588811 /nfs/dbraw/zinc/58/88/11/521588811.db2.gz FXBCHXGUWSWDMG-GDBMZVCRSA-N 2 0 291.439 2.111 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000164389846 521604418 /nfs/dbraw/zinc/60/44/18/521604418.db2.gz CLHNRBBBABVWHJ-JKSUJKDBSA-N 2 0 295.471 2.145 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)[NH+]1CCCC1 ZINC000164395380 521605426 /nfs/dbraw/zinc/60/54/26/521605426.db2.gz IPAQOEIRGQPQDI-JKSUJKDBSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[N@H+](CC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181211 521605982 /nfs/dbraw/zinc/60/59/82/521605982.db2.gz DQHOODIRPNKENN-UHFFFAOYSA-N 2 0 254.418 2.267 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052544171 521656469 /nfs/dbraw/zinc/65/64/69/521656469.db2.gz 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C[NH2+][C@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C(C)(C)C ZINC000062979534 522467650 /nfs/dbraw/zinc/46/76/50/522467650.db2.gz ASNGULFWPPAMDE-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643466 522931374 /nfs/dbraw/zinc/93/13/74/522931374.db2.gz HIVDPBNUTJSOBG-ZACQAIPSSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C[NH2+]C)cc1 ZINC000052571162 523351894 /nfs/dbraw/zinc/35/18/94/523351894.db2.gz OPRSWQVLAQBXBK-CJNGLKHVSA-N 2 0 262.397 2.405 10 0 CEAERP CN(Cc1ccccc1Cl)C1(C[NH3+])CC[NH+](C)CC1 ZINC000048878766 523365794 /nfs/dbraw/zinc/36/57/94/523365794.db2.gz JUXUTOUIQCHGHH-UHFFFAOYSA-N 2 0 281.831 2.195 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]C)[C@H](N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061643430 523369727 /nfs/dbraw/zinc/36/97/27/523369727.db2.gz LJLDEOGESVCHEI-LVQVYYBASA-N 2 0 267.461 2.179 10 0 CEAERP CCn1cc[nH+]c1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000050614100 523551098 /nfs/dbraw/zinc/55/10/98/523551098.db2.gz ROXPOROFPBUODE-CYBMUJFWSA-N 2 0 250.390 2.437 10 0 CEAERP COCC[NH+](CCOC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052571514 523719510 /nfs/dbraw/zinc/71/95/10/523719510.db2.gz PVUSTNDRZIUISX-UHFFFAOYSA-N 2 0 292.423 2.033 10 0 CEAERP COCC[N@@H+](Cc1cc(C[NH3+])oc1C)CC(C)C ZINC000052508596 523739718 /nfs/dbraw/zinc/73/97/18/523739718.db2.gz YDOLHJNLSOCKIL-UHFFFAOYSA-N 2 0 254.374 2.151 10 0 CEAERP C[N@@H+]1CCCN(Cc2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000052424342 523809567 /nfs/dbraw/zinc/80/95/67/523809567.db2.gz XWNSIZYFLFVSCS-UHFFFAOYSA-N 2 0 273.424 2.076 10 0 CEAERP CC[C@H](C)C[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052454191 523868830 /nfs/dbraw/zinc/86/88/30/523868830.db2.gz WSTGYNPQYKXIEY-AWEZNQCLSA-N 2 0 281.448 2.002 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000055083603 523955047 /nfs/dbraw/zinc/95/50/47/523955047.db2.gz FZPKVPVLUCKWHC-DOTOQJQBSA-N 2 0 275.440 2.277 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@](C)(C[NH3+])c2ccccc2)CC1 ZINC000055072037 523956015 /nfs/dbraw/zinc/95/60/15/523956015.db2.gz KAHGDJSKHJDPFT-WMZOPIPTSA-N 2 0 289.467 2.319 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000055063873 523958594 /nfs/dbraw/zinc/95/85/94/523958594.db2.gz YFMAHRMSCHNOMP-HOCLYGCPSA-N 2 0 261.413 2.103 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000055076320 523961520 /nfs/dbraw/zinc/96/15/20/523961520.db2.gz QPMQANOPOHPNGQ-QWRGUYRKSA-N 2 0 268.430 2.083 10 0 CEAERP CCc1ccc([C@@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643458 524032712 /nfs/dbraw/zinc/03/27/12/524032712.db2.gz PNSHLGVDWQTWAO-SJORKVTESA-N 2 0 275.440 2.275 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052515288 524049960 /nfs/dbraw/zinc/04/99/60/524049960.db2.gz XHIHJMJENOOZMK-UHFFFAOYSA-N 3 0 291.439 2.305 10 0 CEAERP C[NH+](C)CCC[NH2+]CCn1ccnc1-c1cccs1 ZINC000053542662 524057148 /nfs/dbraw/zinc/05/71/48/524057148.db2.gz QPNVZQGUBREZSO-UHFFFAOYSA-N 2 0 278.425 2.153 10 0 CEAERP C[C@H]1CCC[C@@H]([NH2+]CCN2CCC[C@@H]2C[NH+](C)C)C1 ZINC000061655199 524152540 /nfs/dbraw/zinc/15/25/40/524152540.db2.gz ZXKDMKYONVGOPO-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CC[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573561 524193901 /nfs/dbraw/zinc/19/39/01/524193901.db2.gz BTBOWXXBRKJAQJ-CQSZACIVSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@H](C[NH3+])CN1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000049254414 524306874 /nfs/dbraw/zinc/30/68/74/524306874.db2.gz GESOYZIEFDWIEA-CQSZACIVSA-N 2 0 255.450 2.025 10 0 CEAERP C[C@H]1CN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000069375000 524570333 /nfs/dbraw/zinc/57/03/33/524570333.db2.gz QDCSBYMINHKXJV-HIFPTAJRSA-N 2 0 293.377 2.072 10 0 CEAERP C[C@@H](C[NH2+]Cc1cccs1)N1CCC([NH+](C)C)CC1 ZINC000053491240 524743881 /nfs/dbraw/zinc/74/38/81/524743881.db2.gz YHSFTZRRCIYJMB-ZDUSSCGKSA-N 2 0 281.469 2.252 10 0 CEAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644792 525024489 /nfs/dbraw/zinc/02/44/89/525024489.db2.gz MBKQBVZKXYRCIB-DGCLKSJQSA-N 2 0 265.376 2.376 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052373371 525638523 /nfs/dbraw/zinc/63/85/23/525638523.db2.gz BPRCDKRINVEVBH-UONOGXRCSA-N 2 0 293.459 2.287 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@@H]2C[NH+](C)C)c(C)c1 ZINC000061643563 525962373 /nfs/dbraw/zinc/96/23/73/525962373.db2.gz UFBDQWLSHGJOAJ-NVXWUHKLSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](CC(C)C)CC2)o1 ZINC000055077056 525978559 /nfs/dbraw/zinc/97/85/59/525978559.db2.gz CHMFKXCVMBFUOS-ZBFHGGJFSA-N 2 0 279.428 2.250 10 0 CEAERP C[C@@H]([C@@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643531 526018826 /nfs/dbraw/zinc/01/88/26/526018826.db2.gz WSHBTVQHIKOEQX-NUEKZKHPSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062978423 526096445 /nfs/dbraw/zinc/09/64/45/526096445.db2.gz WGBZWHKMFHWFGJ-SZMVWBNQSA-N 2 0 287.451 2.288 10 0 CEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761626 526255793 /nfs/dbraw/zinc/25/57/93/526255793.db2.gz OJJPPJXEIFUEHY-FZMZJTMJSA-N 2 0 260.385 2.376 10 0 CEAERP c1csc(C[NH2+]CCN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062974514 526581742 /nfs/dbraw/zinc/58/17/42/526581742.db2.gz IYGCRWOVAIYBCA-CQSZACIVSA-N 2 0 279.453 2.008 10 0 CEAERP NC(=[NH2+])c1cc(Cl)ccc1OCC[NH+]1CCCCC1 ZINC000052860379 526820452 /nfs/dbraw/zinc/82/04/52/526820452.db2.gz QWAVGMSQTABMDB-UHFFFAOYSA-N 2 0 281.787 2.489 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH2+]C1CC1 ZINC000054997433 526967847 /nfs/dbraw/zinc/96/78/47/526967847.db2.gz UPSKPCOUWVBJPH-UHFFFAOYSA-N 2 0 294.468 2.234 10 0 CEAERP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000262707927 535953272 /nfs/dbraw/zinc/95/32/72/535953272.db2.gz NVCRHLRJTYGLLU-GUTXKFCHSA-N 2 0 295.427 2.152 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150721 574510770 /nfs/dbraw/zinc/51/07/70/574510770.db2.gz RYMWNGXDIRZGNQ-UHFFFAOYSA-N 2 0 252.402 2.367 10 0 CEAERP CO[C@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C12CCC2 ZINC000308378481 623644074 /nfs/dbraw/zinc/64/40/74/623644074.db2.gz UZFQSJVYXMFYBN-OLZOCXBDSA-N 2 0 254.418 2.121 10 0 CEAERP CCN1CCC[C@@H]1C[N@H+](C)CCCCCCC[NH3+] ZINC000092633590 624100298 /nfs/dbraw/zinc/10/02/98/624100298.db2.gz PRBJWCHJEPAOQH-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c1Cl ZINC000261561968 628938479 /nfs/dbraw/zinc/93/84/79/628938479.db2.gz VUZOMFUFFWUNAX-MWLCHTKSSA-N 2 0 253.777 2.465 10 0 CEAERP Cc1ccc2c(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000262480965 631017382 /nfs/dbraw/zinc/01/73/82/631017382.db2.gz JZDBPJYGDGMYAN-MAZHCROVSA-N 2 0 298.386 2.271 10 0 CEAERP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262523233 631088208 /nfs/dbraw/zinc/08/82/08/631088208.db2.gz YUZWRFLPDAEDSD-APHBMKBZSA-N 2 0 291.439 2.299 10 0 CEAERP Cc1c[nH+]c(N2CC[NH+](C3CCCC3)CC2)cc1N ZINC000133171707 721859194 /nfs/dbraw/zinc/85/91/94/721859194.db2.gz OXDZQYNQLVIVPT-UHFFFAOYSA-N 2 0 260.385 2.037 10 0 CEAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000037017202 361884366 /nfs/dbraw/zinc/88/43/66/361884366.db2.gz PDXCYRMJNVSVEZ-HNNXBMFYSA-N 2 0 287.407 2.221 10 0 CEAERP C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307637305 344723870 /nfs/dbraw/zinc/72/38/70/344723870.db2.gz WRLXYLZYLLOXFD-LMSBXDPUSA-N 2 0 287.451 2.461 10 0 CEAERP [NH3+][C@H]1CCC[C@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000085364721 179035962 /nfs/dbraw/zinc/03/59/62/179035962.db2.gz JGKTWKRVXSSTPH-CABCVRRESA-N 2 0 287.407 2.348 10 0 CEAERP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1(C)C ZINC000085385195 179046668 /nfs/dbraw/zinc/04/66/68/179046668.db2.gz VKHDYUBBXVXZDU-CFVMTHIKSA-N 2 0 266.429 2.264 10 0 CEAERP CCCc1nc2c(n1C[C@H]1CC[N@@H+](C(C)C)C1)CC[NH2+]C2 ZINC000085572506 179097533 /nfs/dbraw/zinc/09/75/33/179097533.db2.gz KKODFVIIGQTTPY-AWEZNQCLSA-N 2 0 290.455 2.212 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1Cn1c2c(nc1C(C)(C)C)C[NH2+]CC2 ZINC000085568656 179095127 /nfs/dbraw/zinc/09/51/27/179095127.db2.gz ZZBXKGMBAGWYPG-CYBMUJFWSA-N 2 0 290.455 2.311 10 0 CEAERP CC(C)(C)c1nc2c(n1[C@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568712 179095577 /nfs/dbraw/zinc/09/55/77/179095577.db2.gz ZECBNUKSABAZQV-HNNXBMFYSA-N 2 0 288.439 2.093 10 0 CEAERP COCC[N@@H+]1C[C@@H](C2CCCCC2)[NH2+]CC[C@@H]1C ZINC000085625615 179107493 /nfs/dbraw/zinc/10/74/93/179107493.db2.gz NJXDNSILZXAQOE-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP C([C@@H]1CCCO1)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000085610451 179100760 /nfs/dbraw/zinc/10/07/60/179100760.db2.gz OFLVFTFIFHUWTJ-AWEZNQCLSA-N 2 0 252.402 2.164 10 0 CEAERP COCCC[N@@H+]1CCC[NH2+][C@@H](C2CCCCC2)C1 ZINC000085614947 179104231 /nfs/dbraw/zinc/10/42/31/179104231.db2.gz KPXPYKINBYAWOO-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@H]1CC[NH2+][C@@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085623665 179105335 /nfs/dbraw/zinc/10/53/35/179105335.db2.gz YCYSHJBBKDOSIJ-AEGPPILISA-N 2 0 252.402 2.018 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1C[C@@H]1CCOC1 ZINC000085623375 179105405 /nfs/dbraw/zinc/10/54/05/179105405.db2.gz VQEIUJLLVQAQFJ-KGLIPLIRSA-N 2 0 252.402 2.020 10 0 CEAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000336816297 365859640 /nfs/dbraw/zinc/85/96/40/365859640.db2.gz LKVBDYCLLBOQPL-HOCLYGCPSA-N 2 0 263.429 2.396 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141845 179236528 /nfs/dbraw/zinc/23/65/28/179236528.db2.gz MLQIZKVPKRSARW-WBVHZDCISA-N 2 0 279.472 2.182 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@H](C(C)(C)C)C2)CC1 ZINC000086144513 179237931 /nfs/dbraw/zinc/23/79/31/179237931.db2.gz NJZQOPNFGAAYJO-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@@H](C(C)C)CN1 ZINC000086173672 179244818 /nfs/dbraw/zinc/24/48/18/179244818.db2.gz PXNABJGOBWOLQW-DLBZAZTESA-N 2 0 281.488 2.283 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086177343 179246754 /nfs/dbraw/zinc/24/67/54/179246754.db2.gz IBGMOXKLVVFBGI-DLBZAZTESA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@@H](C)[C@@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145691 179238879 /nfs/dbraw/zinc/23/88/79/179238879.db2.gz OJXWZAMVKQJFNF-ZBFHGGJFSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[C@@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217879 179249610 /nfs/dbraw/zinc/24/96/10/179249610.db2.gz FCHRUIAEPMXCOW-INIZCTEOSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223119 179252050 /nfs/dbraw/zinc/25/20/50/179252050.db2.gz WYGSVBKYWMXQJS-UXLLHSPISA-N 2 0 279.472 2.181 10 0 CEAERP CCC[NH+]1CCC(N2C[C@H](CC)[NH2+]C[C@@H]2CC)CC1 ZINC000086227318 179254686 /nfs/dbraw/zinc/25/46/86/179254686.db2.gz UIEQKJCCQJTNFR-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182535 179247774 /nfs/dbraw/zinc/24/77/74/179247774.db2.gz DHIDTUDNBXPRNN-OAGGEKHMSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(CC)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259241 179257955 /nfs/dbraw/zinc/25/79/55/179257955.db2.gz ZCCCPRRITZEIML-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259219 179258248 /nfs/dbraw/zinc/25/82/48/179258248.db2.gz MYPFLPHGAWYLNW-BZUAXINKSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259352 179258422 /nfs/dbraw/zinc/25/84/22/179258422.db2.gz GERDZHUAASHEKD-HOTGVXAUSA-N 2 0 279.472 2.467 10 0 CEAERP CC[C@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259640 179259121 /nfs/dbraw/zinc/25/91/21/179259121.db2.gz KHRMSLAAGLMISC-GOEBONIOSA-N 2 0 277.456 2.220 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259665 179259205 /nfs/dbraw/zinc/25/92/05/179259205.db2.gz ZSWSZPBMDXOXSA-ZMSDIMECSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261037 179260025 /nfs/dbraw/zinc/26/00/25/179260025.db2.gz XRHTTZFGBSNZSM-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@@H](C(C)C)C2)CC1 ZINC000086290282 179265276 /nfs/dbraw/zinc/26/52/76/179265276.db2.gz QGIREIVKXBCNOT-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H]1CN[C@H](C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259018 179257025 /nfs/dbraw/zinc/25/70/25/179257025.db2.gz IYEQVBQQYLOIAR-IRXDYDNUSA-N 2 0 279.472 2.037 10 0 CEAERP CCC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)CCCN1 ZINC000086291496 179266884 /nfs/dbraw/zinc/26/68/84/179266884.db2.gz VAHKOBNBRXMBPL-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086444110 179293394 /nfs/dbraw/zinc/29/33/94/179293394.db2.gz RJRDEZXHIJHHAL-LBPRGKRZSA-N 2 0 294.468 2.257 10 0 CEAERP CC[NH+]1CCC(CNC2=[NH+]C[C@@H](C)CS2)CC1 ZINC000086633149 179315117 /nfs/dbraw/zinc/31/51/17/179315117.db2.gz ZDBBEZKYEDAWQU-LLVKDONJSA-N 2 0 255.431 2.047 10 0 CEAERP COCc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086818624 179347532 /nfs/dbraw/zinc/34/75/32/179347532.db2.gz KEEQCNDREXQOER-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP Cc1cccc(N(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)c1 ZINC000086819524 179348241 /nfs/dbraw/zinc/34/82/41/179348241.db2.gz CQKUQPPCLMUFQB-MRXNPFEDSA-N 2 0 261.413 2.244 10 0 CEAERP CC(C)CN(CC(C)C)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819345 179348307 /nfs/dbraw/zinc/34/83/07/179348307.db2.gz PMVJAMRQDSHAIE-INIZCTEOSA-N 2 0 269.477 2.414 10 0 CEAERP CCN(C1CCCC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819294 179348688 /nfs/dbraw/zinc/34/86/88/179348688.db2.gz YQZDXLWKXLVXCG-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N2CCCC2(C)C)CC1 ZINC000086848644 179356116 /nfs/dbraw/zinc/35/61/16/179356116.db2.gz PCUROJWEBJUUQW-INIZCTEOSA-N 2 0 267.461 2.453 10 0 CEAERP CCCCCN(C)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846893 179357164 /nfs/dbraw/zinc/35/71/64/179357164.db2.gz QNRGLFXFMXGFNB-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847121 179357259 /nfs/dbraw/zinc/35/72/59/179357259.db2.gz SBILAJYUYUTPSB-KRWDZBQOSA-N 2 0 290.455 2.107 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840957 179352410 /nfs/dbraw/zinc/35/24/10/179352410.db2.gz JHQMJMUISODJRD-INIZCTEOSA-N 2 0 261.413 2.478 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843067 179353887 /nfs/dbraw/zinc/35/38/87/179353887.db2.gz RBMKJDFPXIQVEB-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CC)CC2CC2)CC1 ZINC000086848841 179358703 /nfs/dbraw/zinc/35/87/03/179358703.db2.gz ONIHANUPQONEKL-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+]2CCCC2)CC1 ZINC000086891407 179366545 /nfs/dbraw/zinc/36/65/45/179366545.db2.gz MTIRHAJOBWMQOS-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC(O)(CC)CC)CC1 ZINC000087014968 179379562 /nfs/dbraw/zinc/37/95/62/179379562.db2.gz JMTNULPZSHXTBK-CYBMUJFWSA-N 2 0 256.434 2.248 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000087018110 179380621 /nfs/dbraw/zinc/38/06/21/179380621.db2.gz PPWQCICHAGPNFX-CQSZACIVSA-N 2 0 254.418 2.146 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N(C)CC[NH+](C)C ZINC000104191000 185923275 /nfs/dbraw/zinc/92/32/75/185923275.db2.gz JYQOWBMBTXHNJZ-TZMCWYRMSA-N 2 0 269.458 2.328 10 0 CEAERP CC(C)[C@H]([C@H]([NH3+])c1ccccc1)N(C)CC[NH+](C)C ZINC000104198129 185926624 /nfs/dbraw/zinc/92/66/24/185926624.db2.gz FEOJUFUVTMGMAJ-HZPDHXFCSA-N 2 0 263.429 2.204 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCC(C)CC1 ZINC000089582112 179824345 /nfs/dbraw/zinc/82/43/45/179824345.db2.gz RUUOAEWADUKXHT-AQFXKWCLSA-N 2 0 282.472 2.495 10 0 CEAERP CC[NH2+]C[C@]1(C[NH+]2CCC(CO)CC2)CCC[C@@H](C)C1 ZINC000089612837 179829815 /nfs/dbraw/zinc/82/98/15/179829815.db2.gz XFJIYHFCMIRCJS-WBVHZDCISA-N 2 0 282.472 2.497 10 0 CEAERP CC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000090494158 179992630 /nfs/dbraw/zinc/99/26/30/179992630.db2.gz KMEAXMNQIYCUCR-YNEHKIRRSA-N 2 0 268.426 2.365 10 0 CEAERP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694537 180025774 /nfs/dbraw/zinc/02/57/74/180025774.db2.gz XBUIKRUFSKTOEF-OFQRWUPVSA-N 2 0 295.471 2.144 10 0 CEAERP CO[C@H]1CCC[C@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000090694111 180025792 /nfs/dbraw/zinc/02/57/92/180025792.db2.gz ZYDWAKNFKKGZEV-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000090694026 180025884 /nfs/dbraw/zinc/02/58/84/180025884.db2.gz TVQGXFAVXUGORK-AWEZNQCLSA-N 2 0 289.423 2.335 10 0 CEAERP CO[C@H]1CCC[C@@H]([N@H+](C)CCC2CC[NH2+]CC2)C1 ZINC000090694110 180026266 /nfs/dbraw/zinc/02/62/66/180026266.db2.gz ZYDWAKNFKKGZEV-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694349 180026486 /nfs/dbraw/zinc/02/64/86/180026486.db2.gz UJRZNFJDIKAVMN-CYBMUJFWSA-N 2 0 294.361 2.419 10 0 CEAERP CSC1(C[NH3+])CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090874078 180050200 /nfs/dbraw/zinc/05/02/00/180050200.db2.gz LERCXNJWZKCIQW-CQSZACIVSA-N 2 0 292.448 2.146 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893500 180055282 /nfs/dbraw/zinc/05/52/82/180055282.db2.gz RSVHGYDUKLKUCR-HNNXBMFYSA-N 2 0 278.371 2.190 10 0 CEAERP CC(C)(C)[NH2+]CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907863 180061890 /nfs/dbraw/zinc/06/18/90/180061890.db2.gz ISLTYJCPVHABJM-OKILXGFUSA-N 2 0 254.418 2.408 10 0 CEAERP CC[C@@](C)(C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669377210 539759165 /nfs/dbraw/zinc/75/91/65/539759165.db2.gz JKUUEVKERJUDRF-IRXDYDNUSA-N 2 0 276.424 2.389 10 0 CEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1cccc(Cl)c1 ZINC000091313752 180132653 /nfs/dbraw/zinc/13/26/53/180132653.db2.gz KPVJVCUWSARXQT-CQSZACIVSA-N 2 0 268.788 2.150 10 0 CEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccc(Cl)cc1 ZINC000091313761 180132678 /nfs/dbraw/zinc/13/26/78/180132678.db2.gz LRMJLRGBCQTUOM-CQSZACIVSA-N 2 0 268.788 2.150 10 0 CEAERP C[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1Cl ZINC000091313756 180132693 /nfs/dbraw/zinc/13/26/93/180132693.db2.gz UHQJKSGJTNXXLI-CYBMUJFWSA-N 2 0 268.788 2.150 10 0 CEAERP CC(C)C[NH2+]Cc1cnn(CC[NH+](C)C)c1C(F)(F)F ZINC000091338554 180136600 /nfs/dbraw/zinc/13/66/00/180136600.db2.gz GYANNFRFTJXULW-UHFFFAOYSA-N 2 0 292.349 2.209 10 0 CEAERP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360928 180141253 /nfs/dbraw/zinc/14/12/53/180141253.db2.gz FMAQKVYPRXZTFJ-PMPSAXMXSA-N 2 0 295.471 2.097 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091362993 180142619 /nfs/dbraw/zinc/14/26/19/180142619.db2.gz YBIBUFVUBGXGLG-NXOAAHMSSA-N 2 0 279.472 2.323 10 0 CEAERP CC[N@H+](Cc1cncn1C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000091277112 180119679 /nfs/dbraw/zinc/11/96/79/180119679.db2.gz DRSCDRUMJRCEHX-DOMZBBRYSA-N 2 0 262.401 2.167 10 0 CEAERP C[C@@H](CC[NH2+]C(C)(C)C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432953 180153721 /nfs/dbraw/zinc/15/37/21/180153721.db2.gz ISAVQFPZGFFWNP-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1COc1cncc(C[NH2+]C(C)(C)C)n1 ZINC000091435562 180154465 /nfs/dbraw/zinc/15/44/65/180154465.db2.gz SPQOSGYPLMOSIH-CQSZACIVSA-N 2 0 292.427 2.228 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091392280 180144604 /nfs/dbraw/zinc/14/46/04/180144604.db2.gz WDULQNQABZSKQC-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH3+])[C@H](c1cccc(F)c1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393582 180145778 /nfs/dbraw/zinc/14/57/78/180145778.db2.gz SCLRECAHPAZHHT-VBNZEHGJSA-N 2 0 279.403 2.240 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000091404189 180147273 /nfs/dbraw/zinc/14/72/73/180147273.db2.gz DBFBGEUXOKXKQE-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](C(C)(C)C)CC1 ZINC000091404186 180147406 /nfs/dbraw/zinc/14/74/06/180147406.db2.gz YFPIRWSHGFVZFZ-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000091404678 180147447 /nfs/dbraw/zinc/14/74/47/180147447.db2.gz DQZHLLYHTNONDP-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP Nc1cc[nH+]cc1C[C@@H](O)C1([NH+]2CCCCC2)CCCC1 ZINC000091641645 180213331 /nfs/dbraw/zinc/21/33/31/180213331.db2.gz RHCWLMSSBLACMD-MRXNPFEDSA-N 2 0 289.423 2.366 10 0 CEAERP [NH3+][C@@H]1CCCc2sc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)nc21 ZINC000091722535 180240159 /nfs/dbraw/zinc/24/01/59/180240159.db2.gz MLWSVCNSAONXCH-GMTAPVOTSA-N 2 0 279.409 2.015 10 0 CEAERP CCC[N@H+](CCC[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000091852540 180273169 /nfs/dbraw/zinc/27/31/69/180273169.db2.gz MKDXCXVTZYOGEN-UHFFFAOYSA-N 3 0 267.461 2.454 10 0 CEAERP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091850896 180272213 /nfs/dbraw/zinc/27/22/13/180272213.db2.gz LACIUJMCMWWABU-DNDYEEKYSA-N 2 0 283.460 2.272 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@@](C)(O)c2ccccc2)CC1 ZINC000091870649 180277161 /nfs/dbraw/zinc/27/71/61/180277161.db2.gz AOZKNBGJYUGTBV-OFLPRAFFSA-N 2 0 276.424 2.357 10 0 CEAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092298016 180358506 /nfs/dbraw/zinc/35/85/06/180358506.db2.gz PCIWJSDOXUMQIJ-MELADBBJSA-N 2 0 260.381 2.222 10 0 CEAERP CC(C)[C@H]1CSC(N[C@H](C)C[NH+]2CCCC2)=[NH+]1 ZINC000092402320 180377621 /nfs/dbraw/zinc/37/76/21/180377621.db2.gz SHPDUTRRQODYAY-VXGBXAGGSA-N 2 0 255.431 2.188 10 0 CEAERP CNc1cc[nH+]c(CN(CC[NH+](C)C)CC(C)C)c1 ZINC000092418337 180381197 /nfs/dbraw/zinc/38/11/97/180381197.db2.gz ZQOICZBVNYFPFB-UHFFFAOYSA-N 2 0 264.417 2.143 10 0 CEAERP CC[NH2+][C@@H]1c2ccc(OCC[NH+](CC)CC)cc2NC1=O ZINC000109576248 186263539 /nfs/dbraw/zinc/26/35/39/186263539.db2.gz UZKCMZOLSGMRRU-OAHLLOKOSA-N 2 0 291.395 2.010 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2nc(C)c(C[NH2+]C)s2)C1 ZINC000110275483 186289618 /nfs/dbraw/zinc/28/96/18/186289618.db2.gz KSTGEYFBCOJKSB-GFCCVEGCSA-N 2 0 282.457 2.091 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000110645181 186308594 /nfs/dbraw/zinc/30/85/94/186308594.db2.gz WBAWXJHIVJHQLY-CRAIPNDOSA-N 2 0 287.451 2.320 10 0 CEAERP Cc1cccn2cc(C[NH+]3CCC([C@H](C)[NH3+])CC3)nc12 ZINC000110649654 186310040 /nfs/dbraw/zinc/31/00/40/186310040.db2.gz TVWGARQQIZRNNH-ZDUSSCGKSA-N 2 0 272.396 2.202 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CC2CCCC2)O1 ZINC000110844713 186328238 /nfs/dbraw/zinc/32/82/38/186328238.db2.gz MJCWIHCQFDKCKT-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CCC([NH+](C)C)CC2)cc1F ZINC000110977157 186339278 /nfs/dbraw/zinc/33/92/78/186339278.db2.gz PTHNPAWSHPUSED-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110704882 186314365 /nfs/dbraw/zinc/31/43/65/186314365.db2.gz HEQGVQNTZNOXFU-HIFRSBDPSA-N 2 0 261.413 2.101 10 0 CEAERP COc1ccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704711 186314681 /nfs/dbraw/zinc/31/46/81/186314681.db2.gz VDKHMLKETKHVBN-CZUORRHYSA-N 2 0 291.439 2.110 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cc(C)ccc2C)C[C@@H]1C ZINC000110708584 186314887 /nfs/dbraw/zinc/31/48/87/186314887.db2.gz SNQUJUNTJIZHLG-RDJZCZTQSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705276 186315158 /nfs/dbraw/zinc/31/51/58/186315158.db2.gz RCSQEHZDKKOIHR-DOMZBBRYSA-N 2 0 279.403 2.240 10 0 CEAERP CCOc1cccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110711625 186315355 /nfs/dbraw/zinc/31/53/55/186315355.db2.gz VNRXJGJVIBSQHT-INIZCTEOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH2+]C)CC[N@@H+]1C ZINC000110716108 186316076 /nfs/dbraw/zinc/31/60/76/186316076.db2.gz KCPLTJZELKCTLE-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747280 186322137 /nfs/dbraw/zinc/32/21/37/186322137.db2.gz ZXAONFYHUHRNDX-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@H](C)c1sc(N(C)CCC[NH+](C)C)nc1C ZINC000111151373 186361029 /nfs/dbraw/zinc/36/10/29/186361029.db2.gz ZCNCGUVVMLLMMR-SNVBAGLBSA-N 2 0 270.446 2.120 10 0 CEAERP CC[NH2+]Cc1coc(C[N@H+](CC)CCOCC)c1 ZINC000111123829 186354360 /nfs/dbraw/zinc/35/43/60/186354360.db2.gz OMOPSXZBHWVUQG-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131160 186356376 /nfs/dbraw/zinc/35/63/76/186356376.db2.gz OKHALBQTSRZFQH-HZPDHXFCSA-N 2 0 281.419 2.488 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc2ccccc21 ZINC000111132871 186356399 /nfs/dbraw/zinc/35/63/99/186356399.db2.gz NVYFIRMJMIQOMH-QGZVFWFLSA-N 2 0 271.408 2.333 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)o1 ZINC000111133913 186356434 /nfs/dbraw/zinc/35/64/34/186356434.db2.gz UULGLRFQEOWTQM-HZSPNIEDSA-N 2 0 279.428 2.286 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N(C)CCC[NH+](C)C ZINC000111131334 186356748 /nfs/dbraw/zinc/35/67/48/186356748.db2.gz HYWYIPORNUQANH-AAEUAGOBSA-N 2 0 255.431 2.020 10 0 CEAERP CCCc1ccc([C@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134893 186357806 /nfs/dbraw/zinc/35/78/06/186357806.db2.gz UALHHFIOZNFBDS-KRWDZBQOSA-N 2 0 277.456 2.393 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136336 186357958 /nfs/dbraw/zinc/35/79/58/186357958.db2.gz YVOYOEFCVHQOKK-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CC[NH+](C)C ZINC000111147109 186358465 /nfs/dbraw/zinc/35/84/65/186358465.db2.gz UDMPNUNFSJONOF-ARFHVFGLSA-N 2 0 269.477 2.284 10 0 CEAERP CN(CCC[NH+](C)C)CC1(C[NH2+]C2CC2)CCCC1 ZINC000111148024 186359337 /nfs/dbraw/zinc/35/93/37/186359337.db2.gz RRMSCOXYPKGWAJ-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000111149712 186359898 /nfs/dbraw/zinc/35/98/98/186359898.db2.gz KIRULIKFJYHBLR-CYBMUJFWSA-N 2 0 292.427 2.382 10 0 CEAERP Cc1oc(C[NH2+]C(C)(C)C)cc1CN(C)CC[NH+](C)C ZINC000111149694 186360036 /nfs/dbraw/zinc/36/00/36/186360036.db2.gz HCEVZCSRWXMZKY-UHFFFAOYSA-N 2 0 281.444 2.470 10 0 CEAERP C[N@H+](CCC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCOC1 ZINC000111179287 186366178 /nfs/dbraw/zinc/36/61/78/186366178.db2.gz WTOLBOXKOVPMBY-GJZGRUSLSA-N 2 0 254.418 2.125 10 0 CEAERP CCC1(C[N@H+](C)CC2CCOCC2)CC[NH2+]CC1 ZINC000111179346 186366830 /nfs/dbraw/zinc/36/68/30/186366830.db2.gz AYZIBLIHWJPALH-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[C@]1(C[N@H+](C)C[C@@H]2CCCOC2)CCC[NH2+]C1 ZINC000111179159 186366877 /nfs/dbraw/zinc/36/68/77/186366877.db2.gz AVKLWFSGRAVHSO-GJZGRUSLSA-N 2 0 254.418 2.125 10 0 CEAERP C[NH2+]C[C@@]1(C[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000111324272 186397384 /nfs/dbraw/zinc/39/73/84/186397384.db2.gz HKRIMCHYFVBDPN-QGZVFWFLSA-N 2 0 274.408 2.061 10 0 CEAERP CCCC[N@H+](C[C@]1(C[NH2+]C)CCCOC1)C1CC1 ZINC000111326635 186398586 /nfs/dbraw/zinc/39/85/86/186398586.db2.gz JTSHURCSODDBGY-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CCC1CC[NH+](C[C@]2(C[NH2+]C)CCCOC2)CC1 ZINC000111328391 186399623 /nfs/dbraw/zinc/39/96/23/186399623.db2.gz WOYFUUYSTWMGQF-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH+]1CCC(N(C)c2ccc(C[C@@H](C)[NH3+])cc2)CC1 ZINC000111506554 186424999 /nfs/dbraw/zinc/42/49/99/186424999.db2.gz UVPKCNXFUHPBBX-CQSZACIVSA-N 2 0 275.440 2.497 10 0 CEAERP CCC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C)CCC)CC1 ZINC000111696170 186444178 /nfs/dbraw/zinc/44/41/78/186444178.db2.gz XFVMILMVAUYPKJ-AWEZNQCLSA-N 2 0 283.460 2.003 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000251253756 539972722 /nfs/dbraw/zinc/97/27/22/539972722.db2.gz UWTPUWTWEDSHBP-CBBWQLFWSA-N 2 0 254.418 2.190 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000262021806 540160861 /nfs/dbraw/zinc/16/08/61/540160861.db2.gz YZSBUTCXRGXOMV-ZKYQVNSYSA-N 2 0 261.369 2.020 10 0 CEAERP C[NH+](C)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000222903710 540523942 /nfs/dbraw/zinc/52/39/42/540523942.db2.gz MDNJWIBKNIPSJV-PMPSAXMXSA-N 2 0 261.413 2.149 10 0 CEAERP CCC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1CC)[NH+](C)C ZINC000162135317 367140982 /nfs/dbraw/zinc/14/09/82/367140982.db2.gz UJRKSRLAVWTOGK-LSDHHAIUSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000162616810 367174266 /nfs/dbraw/zinc/17/42/66/367174266.db2.gz PRYDOPYTDAMHAJ-CVEARBPZSA-N 2 0 297.487 2.201 10 0 CEAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2C=CCCC2)CC1 ZINC000171746270 367609288 /nfs/dbraw/zinc/60/92/88/367609288.db2.gz YWDLMEJQBMBKFW-ZBFHGGJFSA-N 2 0 266.429 2.120 10 0 CEAERP CCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000246513176 370971360 /nfs/dbraw/zinc/97/13/60/370971360.db2.gz QQTDSRSFUXGIOQ-ZIAGYGMSSA-N 2 0 283.460 2.131 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000227798520 370385430 /nfs/dbraw/zinc/38/54/30/370385430.db2.gz FRGZZLIOAJEFFD-JKSUJKDBSA-N 2 0 295.471 2.084 10 0 CEAERP COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1F ZINC000231457726 370479195 /nfs/dbraw/zinc/47/91/95/370479195.db2.gz FONNLKSPHJMHEY-ZDUSSCGKSA-N 2 0 266.360 2.408 10 0 CEAERP C[N@H+](Cc1ccc2c(c1)OCCO2)[C@H]1CCC[NH2+]CC1 ZINC000231462881 370480250 /nfs/dbraw/zinc/48/02/50/370480250.db2.gz QRNBYIJLNYMMLT-AWEZNQCLSA-N 2 0 276.380 2.032 10 0 CEAERP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1(C)C ZINC000248809044 371247963 /nfs/dbraw/zinc/24/79/63/371247963.db2.gz KJZAXTYXQYOLTI-BZUAXINKSA-N 2 0 298.471 2.015 10 0 CEAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261611845 371677780 /nfs/dbraw/zinc/67/77/80/371677780.db2.gz DZFJEIFTQUXWJJ-ZNMIVQPWSA-N 2 0 290.407 2.133 10 0 CEAERP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000261549256 371643667 /nfs/dbraw/zinc/64/36/67/371643667.db2.gz OKYAYGMRFVEIPI-NJAFHUGGSA-N 2 0 287.451 2.381 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccccc3OC(F)F)C[C@@H]12 ZINC000261743650 371717387 /nfs/dbraw/zinc/71/73/87/371717387.db2.gz MGNQVTSCIAADGG-CYZMBNFOSA-N 2 0 282.334 2.457 10 0 CEAERP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C ZINC000262003789 371797978 /nfs/dbraw/zinc/79/79/78/371797978.db2.gz UKEYCQTYCHSDNV-ZNMIVQPWSA-N 2 0 260.381 2.173 10 0 CEAERP C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1[NH3+] ZINC000262078361 371819964 /nfs/dbraw/zinc/81/99/64/371819964.db2.gz SVIHKSMKVRZBTG-XYPHTWIQSA-N 2 0 290.407 2.023 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400337933 375372043 /nfs/dbraw/zinc/37/20/43/375372043.db2.gz FUNRAODCRWODHV-AAEUAGOBSA-N 2 0 252.789 2.470 10 0 CEAERP Cc1cc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc[nH+]1 ZINC000311745289 376684009 /nfs/dbraw/zinc/68/40/09/376684009.db2.gz RPUGKIXDJIJTNK-JKSUJKDBSA-N 2 0 253.349 2.321 10 0 CEAERP C[N@H+](CC1CC1)C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1 ZINC000052483692 522628783 /nfs/dbraw/zinc/62/87/83/522628783.db2.gz IZSSRPYOSUWNMF-UONOGXRCSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)[C@H]1CCC[C@]2(C[NH+]=C(N)N2CC[NH+](C)C)CC1 ZINC000093374605 184668328 /nfs/dbraw/zinc/66/83/28/184668328.db2.gz JGLHUJMGGBRDBK-GOEBONIOSA-N 2 0 280.460 2.153 10 0 CEAERP CC[NH+](CC)CCN1C(=[NH2+])NC[C@@H]1c1ccc(F)cc1C ZINC000093382384 184670119 /nfs/dbraw/zinc/67/01/19/184670119.db2.gz PQZWSPUSZGTALY-OAHLLOKOSA-N 2 0 292.402 2.147 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC000093616067 184696396 /nfs/dbraw/zinc/69/63/96/184696396.db2.gz VEUQHUIUMOJVPM-JKSUJKDBSA-N 2 0 268.445 2.249 10 0 CEAERP CC[NH2+][C@]1(CO)CCC[C@H]1CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000093618371 184696810 /nfs/dbraw/zinc/69/68/10/184696810.db2.gz KJFRQAPHGPDYOU-FZKCQIBNSA-N 2 0 268.445 2.105 10 0 CEAERP FC(F)Oc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000094009577 184749717 /nfs/dbraw/zinc/74/97/17/184749717.db2.gz LMALWJXVZMKWHF-UHFFFAOYSA-N 2 0 270.323 2.377 10 0 CEAERP C[C@H](Cc1ccco1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070111 184753255 /nfs/dbraw/zinc/75/32/55/184753255.db2.gz VXHJREFVAVXVRH-CYBMUJFWSA-N 2 0 266.385 2.040 10 0 CEAERP CC[NH2+][C@H]1[C@H](N2CCC([NH+](C)C)CC2)CCC1(C)C ZINC000094304143 184778121 /nfs/dbraw/zinc/77/81/21/184778121.db2.gz GOUGVLCSTFZAEP-CABCVRRESA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)CCCC[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094371346 184790460 /nfs/dbraw/zinc/79/04/60/184790460.db2.gz DAXPCYHYOAKLCZ-CQSZACIVSA-N 2 0 286.485 2.363 10 0 CEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261612414 285526227 /nfs/dbraw/zinc/52/62/27/285526227.db2.gz SPQMTWKCVZTQGD-GXTWGEPZSA-N 2 0 253.349 2.423 10 0 CEAERP CC[NH+](CC)CCN1CC[C@H]([NH2+]C)c2ccccc21 ZINC000071325715 134964472 /nfs/dbraw/zinc/96/44/72/134964472.db2.gz IAOMJFHDPHHSPB-HNNXBMFYSA-N 2 0 261.413 2.499 10 0 CEAERP C[C@H]([NH3+])c1c(F)cccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091395283 135069074 /nfs/dbraw/zinc/06/90/74/135069074.db2.gz DLBSHIHXCHYDAD-NWDGAFQWSA-N 2 0 265.376 2.376 10 0 CEAERP CC[NH2+]Cc1cccnc1N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094443292 135088687 /nfs/dbraw/zinc/08/86/87/135088687.db2.gz GXUIRCXJSCIMRK-HOCLYGCPSA-N 2 0 288.439 2.254 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000094444540 135089082 /nfs/dbraw/zinc/08/90/82/135089082.db2.gz HWQXJUHUCGEZQF-UKRRQHHQSA-N 2 0 291.414 2.390 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H]2CCCC[C@H]21 ZINC000247103956 394526977 /nfs/dbraw/zinc/52/69/77/394526977.db2.gz KSORZLTWCBFTQW-RBSFLKMASA-N 2 0 252.402 2.114 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000261595552 394603341 /nfs/dbraw/zinc/60/33/41/394603341.db2.gz OGWXFPJXXIFMDJ-KKUMJFAQSA-N 2 0 260.381 2.173 10 0 CEAERP CC[N@H+](CCC(C)(C)C(=O)OC)[C@H]1CCC[NH2+]CC1 ZINC000262052807 394612204 /nfs/dbraw/zinc/61/22/04/394612204.db2.gz ZWIQRJHCCUUMFC-ZDUSSCGKSA-N 2 0 270.417 2.040 10 0 CEAERP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)C1 ZINC000263314928 394628092 /nfs/dbraw/zinc/62/80/92/394628092.db2.gz ZIOGZXDSOPPPCL-ITWBUVANSA-N 2 0 288.435 2.129 10 0 CEAERP CSCC1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000400748306 395254409 /nfs/dbraw/zinc/25/44/09/395254409.db2.gz UYXMVDJUJHERPB-RJZJGCCBSA-N 2 0 256.459 2.496 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826256 400120749 /nfs/dbraw/zinc/12/07/49/400120749.db2.gz VUQWCGZSHTVVDR-UHFFFAOYSA-N 2 0 295.471 2.084 10 0 CEAERP O[C@@H](C[NH2+]C1CCC(F)(F)CC1)C[NH+]1CCCCC1 ZINC000389924207 400539348 /nfs/dbraw/zinc/53/93/48/400539348.db2.gz GYWLMZQFIMAJOQ-ZDUSSCGKSA-N 2 0 276.371 2.001 10 0 CEAERP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000124260451 287104733 /nfs/dbraw/zinc/10/47/33/287104733.db2.gz OVRYNKHTZIVBCE-HZPDHXFCSA-N 2 0 268.445 2.488 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000193126209 287218975 /nfs/dbraw/zinc/21/89/75/287218975.db2.gz HKISGUWYCJJEEF-ILXRZTDVSA-N 2 0 268.445 2.248 10 0 CEAERP [NH3+]CC[C@@H](COc1ccccc1F)[NH+]1CCCC1 ZINC000020401972 171182270 /nfs/dbraw/zinc/18/22/70/171182270.db2.gz KXHUYUBOMXAZQN-LBPRGKRZSA-N 2 0 252.333 2.018 10 0 CEAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022155006 171362142 /nfs/dbraw/zinc/36/21/42/171362142.db2.gz JVEOCAVKCFKMOW-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022210452 171373690 /nfs/dbraw/zinc/37/36/90/171373690.db2.gz LPLYJPZFDPGWCF-STQMWFEESA-N 2 0 275.396 2.062 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)C2CC[NH+](C)CC2)cc1 ZINC000023069002 171409573 /nfs/dbraw/zinc/40/95/73/171409573.db2.gz KKESPDGDLPUNII-INIZCTEOSA-N 2 0 261.413 2.021 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H]1CCCCO1 ZINC000035151382 172014264 /nfs/dbraw/zinc/01/42/64/172014264.db2.gz CJOWRLLFGCOLSW-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP C[NH+](C)C1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000036191621 172503106 /nfs/dbraw/zinc/50/31/06/172503106.db2.gz OALQPWUKFOXMBN-NSHDSACASA-N 2 0 287.860 2.427 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000037484571 173228796 /nfs/dbraw/zinc/22/87/96/173228796.db2.gz GDJRVYWHYKQUGO-GFCCVEGCSA-N 2 0 283.213 2.490 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000037496872 173236122 /nfs/dbraw/zinc/23/61/22/173236122.db2.gz SPMGWFGJISMLSK-ZACQAIPSSA-N 2 0 279.472 2.182 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C[NH3+])ccc2F)CC1 ZINC000040678449 174374716 /nfs/dbraw/zinc/37/47/16/174374716.db2.gz ILVLVIOOYKLHTD-UHFFFAOYSA-N 2 0 266.360 2.285 10 0 CEAERP CCOC1CC[NH+](Cc2ccc(C[NH3+])cc2F)CC1 ZINC000040678447 174374845 /nfs/dbraw/zinc/37/48/45/174374845.db2.gz LJGHSOLFVOHISW-UHFFFAOYSA-N 2 0 266.360 2.285 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693671 174377201 /nfs/dbraw/zinc/37/72/01/174377201.db2.gz OJVHXTWCODGJGU-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP [NH3+]CC1(N2CCC([NH+]3CCCCC3)CC2)CCCC1 ZINC000040693809 174377829 /nfs/dbraw/zinc/37/78/29/174377829.db2.gz XWQVILOHCBHJFZ-UHFFFAOYSA-N 2 0 265.445 2.208 10 0 CEAERP CC(C)C[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693751 174377840 /nfs/dbraw/zinc/37/78/40/174377840.db2.gz WRWSUGJRFRBCQJ-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCC(C)(C)[NH3+] ZINC000309722890 414855435 /nfs/dbraw/zinc/85/54/35/414855435.db2.gz MRICSADMSQYCMY-CQSZACIVSA-N 2 0 291.439 2.141 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N2CCc3sccc3[C@H]2C)CC1 ZINC000042744184 174863934 /nfs/dbraw/zinc/86/39/34/174863934.db2.gz OYLYFJGRPMBMNK-CYBMUJFWSA-N 2 0 293.480 2.480 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)C)CC1 ZINC000043335153 175011575 /nfs/dbraw/zinc/01/15/75/175011575.db2.gz CPBKUEIEVZWIHX-ZFWWWQNUSA-N 2 0 265.401 2.084 10 0 CEAERP CCC[NH2+][C@@H](CCC)[C@@H](CC)N1CC[NH+](C)CC1 ZINC000043811037 175110538 /nfs/dbraw/zinc/11/05/38/175110538.db2.gz CNYVSIGHDFGZMZ-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815180 175111722 /nfs/dbraw/zinc/11/17/22/175111722.db2.gz IQMZTSQJCNJAAH-RHSMWYFYSA-N 2 0 275.440 2.362 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818347 175113383 /nfs/dbraw/zinc/11/33/83/175113383.db2.gz HZUPZQCOKAWVJQ-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762198 175246235 /nfs/dbraw/zinc/24/62/35/175246235.db2.gz REAGTDFWCJGUCX-OAHLLOKOSA-N 2 0 295.471 2.276 10 0 CEAERP C[C@@H](CNC1=[NH+]C[C@@H](c2ccccc2)S1)[NH+](C)C ZINC000045108733 175308720 /nfs/dbraw/zinc/30/87/20/175308720.db2.gz DJOGOWISPFTNJH-AAEUAGOBSA-N 2 0 263.410 2.370 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045113975 175310932 /nfs/dbraw/zinc/31/09/32/175310932.db2.gz CQHJEGSYLSVBRN-CHWSQXEVSA-N 2 0 292.427 2.429 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C(C)(C)CS2)C1 ZINC000045136108 175313532 /nfs/dbraw/zinc/31/35/32/175313532.db2.gz FSXBZJYJDFVNQU-LLVKDONJSA-N 2 0 255.431 2.188 10 0 CEAERP CCC[N@H+](CCC[C@@](C)([NH3+])C(=O)OCC)C(C)C ZINC000045385972 175371952 /nfs/dbraw/zinc/37/19/52/175371952.db2.gz FONZBPXEFGHTDN-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038078 176026792 /nfs/dbraw/zinc/02/67/92/176026792.db2.gz IJZNDBGYXWORKK-JKSUJKDBSA-N 2 0 297.487 2.488 10 0 CEAERP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000071141851 176040450 /nfs/dbraw/zinc/04/04/50/176040450.db2.gz DXVPJNYTSGCYDS-DZGCQCFKSA-N 2 0 290.407 2.278 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000071161497 176046064 /nfs/dbraw/zinc/04/60/64/176046064.db2.gz WYFOXAUXTCZQLV-HOCLYGCPSA-N 2 0 267.461 2.310 10 0 CEAERP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187946 176061276 /nfs/dbraw/zinc/06/12/76/176061276.db2.gz GRDVPNYWUIRVSP-BFYDXBDKSA-N 2 0 275.440 2.267 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccs1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188046 176061706 /nfs/dbraw/zinc/06/17/06/176061706.db2.gz ZMLHFCYJBUIDGH-SCRDCRAPSA-N 2 0 267.442 2.020 10 0 CEAERP Cc1ccc(C)c([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071188331 176062734 /nfs/dbraw/zinc/06/27/34/176062734.db2.gz JUTJQFAIOZTTNQ-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)ccc1F ZINC000071188361 176063168 /nfs/dbraw/zinc/06/31/68/176063168.db2.gz PDBDEKHROCMLIQ-CJNGLKHVSA-N 2 0 279.403 2.017 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188611 176063622 /nfs/dbraw/zinc/06/36/22/176063622.db2.gz ONEIRJFQFBDVLW-CJNGLKHVSA-N 2 0 293.480 2.292 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188715 176064018 /nfs/dbraw/zinc/06/40/18/176064018.db2.gz DSIPWUJWJTTXJP-INMHGKMJSA-N 2 0 275.440 2.267 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)CC1(C[NH2+]C2CC2)CCCC1 ZINC000071191441 176070294 /nfs/dbraw/zinc/07/02/94/176070294.db2.gz XDDCZUQZXKICEF-OAHLLOKOSA-N 2 0 279.472 2.182 10 0 CEAERP Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C[NH2+]C(C)C ZINC000071192039 176071060 /nfs/dbraw/zinc/07/10/60/176071060.db2.gz YLIRQFIAYMTOEI-HNNXBMFYSA-N 2 0 293.455 2.470 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071191828 176071385 /nfs/dbraw/zinc/07/13/85/176071385.db2.gz DHLFXXQPZYNNEE-CQSZACIVSA-N 2 0 279.428 2.161 10 0 CEAERP CC[NH2+]Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000071191789 176072814 /nfs/dbraw/zinc/07/28/14/176072814.db2.gz LPCVEPSMYSZWSZ-LBPRGKRZSA-N 2 0 296.846 2.232 10 0 CEAERP C[N@H+](CCNc1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000071192289 176073316 /nfs/dbraw/zinc/07/33/16/176073316.db2.gz WXJYIKWLUMXNEE-CYBMUJFWSA-N 2 0 265.376 2.121 10 0 CEAERP C[N@H+](CCNc1cccc(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071192353 176073449 /nfs/dbraw/zinc/07/34/49/176073449.db2.gz VAFXDOLOYDSQPA-CYBMUJFWSA-N 2 0 265.376 2.121 10 0 CEAERP CC[NH+]1CCC(CN2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000071200991 176077554 /nfs/dbraw/zinc/07/75/54/176077554.db2.gz YTCMLHOPNNKHEI-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CN1CCC[C@H]([NH2+]C2CC2)C1)[NH+]1CCCCC1 ZINC000071201187 176077691 /nfs/dbraw/zinc/07/76/91/176077691.db2.gz YMJYMNYVCXUEFI-ZBFHGGJFSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@@H](C[NH+](C)C)C(C)C)C1 ZINC000071200836 176077797 /nfs/dbraw/zinc/07/77/97/176077797.db2.gz BMEVEMFSEJWZIK-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCCC[C@@H](CC)C[N@H+](CCOC)CCC(N)=[NH2+] ZINC000071229032 176091353 /nfs/dbraw/zinc/09/13/53/176091353.db2.gz KUHQGWZRETZIFH-CYBMUJFWSA-N 2 0 257.422 2.477 10 0 CEAERP CC(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000071401061 176153351 /nfs/dbraw/zinc/15/33/51/176153351.db2.gz DKRDJVMVNMHFOH-JKSUJKDBSA-N 2 0 291.439 2.169 10 0 CEAERP COc1cc(C)c([C@@H](CC[NH3+])C[NH+](C)C)cc1C ZINC000076655170 177044980 /nfs/dbraw/zinc/04/49/80/177044980.db2.gz QJQCHUFCLADDDG-ZDUSSCGKSA-N 2 0 250.386 2.306 10 0 CEAERP C[NH2+][C@@H]1CCC(C)(C)C[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000079623991 177528179 /nfs/dbraw/zinc/52/81/79/177528179.db2.gz ZAUMURSCSYLGMK-HZPDHXFCSA-N 2 0 281.488 2.427 10 0 CEAERP CC1(C)CC[C@H]([NH3+])[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000079625972 177528737 /nfs/dbraw/zinc/52/87/37/177528737.db2.gz LNQDKMZXSFUQAK-JYJNAYRXSA-N 2 0 279.472 2.453 10 0 CEAERP CC(C)[C@H]([NH3+])CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000136409763 419448076 /nfs/dbraw/zinc/44/80/76/419448076.db2.gz RVKRTOGPZGMMDX-OAHLLOKOSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000251406257 279174037 /nfs/dbraw/zinc/17/40/37/279174037.db2.gz MWMDYRPADANDEL-RRFJBIMHSA-N 2 0 256.434 2.294 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261565019 274858701 /nfs/dbraw/zinc/85/87/01/274858701.db2.gz XZKXFFBYRAKKLD-QWRGUYRKSA-N 2 0 251.761 2.089 10 0 CEAERP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000324960486 280602661 /nfs/dbraw/zinc/60/26/61/280602661.db2.gz JXKMYLQAHMKDCR-LSDHHAIUSA-N 2 0 254.418 2.002 10 0 CEAERP CC1(C)C[N@H+](CCCOCC(F)(F)F)CC[C@H]1[NH3+] ZINC000310683430 281236153 /nfs/dbraw/zinc/23/61/53/281236153.db2.gz SVZGMMQIMOSXSJ-SNVBAGLBSA-N 2 0 268.323 2.015 10 0 CEAERP COc1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000564824040 298850648 /nfs/dbraw/zinc/85/06/48/298850648.db2.gz RHQIGCUBWHCDRX-KBPBESRZSA-N 2 0 278.396 2.052 10 0 CEAERP Cc1cccnc1CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000566088896 313848675 /nfs/dbraw/zinc/84/86/75/313848675.db2.gz JSIOXWFWBBWNNB-CABCVRRESA-N 2 0 261.413 2.300 10 0 CEAERP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCCC1 ZINC000382827945 321844163 /nfs/dbraw/zinc/84/41/63/321844163.db2.gz WZIJBHVPBGPNKB-HOTGVXAUSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)C[NH2+]C2CCCC2)CC1 ZINC000055075633 519727613 /nfs/dbraw/zinc/72/76/13/519727613.db2.gz BMVRPWFYAWCBIL-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480099 519743769 /nfs/dbraw/zinc/74/37/69/519743769.db2.gz RSMISRDHJDCELM-MRXNPFEDSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@H+](CC)C1 ZINC000054628961 519911079 /nfs/dbraw/zinc/91/10/79/519911079.db2.gz FVSFYKYEJMUXOA-WTXIUTQJSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456870 519935679 /nfs/dbraw/zinc/93/56/79/519935679.db2.gz VSYAADZGOVRBPE-HIFRSBDPSA-N 2 0 266.385 2.259 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573429 519958383 /nfs/dbraw/zinc/95/83/83/519958383.db2.gz FNHQHTUXSZAXDL-MRXNPFEDSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)Cc2ccco2)O1 ZINC000052570646 519953806 /nfs/dbraw/zinc/95/38/06/519953806.db2.gz SNIVAXWURFTGQU-DZGCQCFKSA-N 2 0 266.385 2.259 10 0 CEAERP CC[NH2+]Cc1ccoc1COCC[NH+]1CCCCC1 ZINC000052670767 520012462 /nfs/dbraw/zinc/01/24/62/520012462.db2.gz SWJMSFIKJPJPKD-UHFFFAOYSA-N 2 0 266.385 2.392 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061272270 520163183 /nfs/dbraw/zinc/16/31/83/520163183.db2.gz YYTLHBSURSMFMR-OAHLLOKOSA-N 2 0 285.476 2.201 10 0 CEAERP CCCC[N@H+](CC)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052418782 520480137 /nfs/dbraw/zinc/48/01/37/520480137.db2.gz VQVQWUDTCTYKQJ-UHFFFAOYSA-N 2 0 281.448 2.146 10 0 CEAERP CCO[C@H](C[NH3+])C[N@H+](Cc1cccs1)C(C)C ZINC000062739735 520517960 /nfs/dbraw/zinc/51/79/60/520517960.db2.gz AEFYOCPGKRWJJF-GFCCVEGCSA-N 2 0 256.415 2.322 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccccc1C ZINC000062740898 520516719 /nfs/dbraw/zinc/51/67/19/520516719.db2.gz NSWKFDKLXIFUHB-HNNXBMFYSA-N 2 0 250.386 2.181 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]CC)co1 ZINC000052544223 521657045 /nfs/dbraw/zinc/65/70/45/521657045.db2.gz HIDYVLWIDBFVFR-UHFFFAOYSA-N 2 0 267.417 2.163 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)C[NH+](C)C ZINC000054601664 521953827 /nfs/dbraw/zinc/95/38/27/521953827.db2.gz NRVDMYQTKHNAST-GOOCMWNKSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)[C@@H]1C[N@H+](CCOC)C1CC1 ZINC000084942293 517976900 /nfs/dbraw/zinc/97/69/00/517976900.db2.gz LNQLFTBEGLLYAJ-LQKXBSAESA-N 2 0 268.445 2.367 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054898199 518712686 /nfs/dbraw/zinc/71/26/86/518712686.db2.gz PRHIEPIFMSNYGK-NSHDSACASA-N 2 0 294.468 2.400 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@H](COCC[NH+]2CCCC2)O1 ZINC000052670482 518760497 /nfs/dbraw/zinc/76/04/97/518760497.db2.gz UYALFMCSUZCYPT-LSDHHAIUSA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCCSCC2)O1 ZINC000052371162 518763085 /nfs/dbraw/zinc/76/30/85/518763085.db2.gz FLJHXTGRXUWIAF-KGLIPLIRSA-N 2 0 286.485 2.361 10 0 CEAERP CC(C)(C)[NH2+]Cc1occc1CN1CC[NH+](C2CC2)CC1 ZINC000052371423 518770293 /nfs/dbraw/zinc/77/02/93/518770293.db2.gz SAPNKKXDDDWMFK-UHFFFAOYSA-N 2 0 291.439 2.448 10 0 CEAERP CC(C)C[N@H+](CCC[C@H]1CCCC[NH2+]1)CCN(C)C ZINC000050953844 519715805 /nfs/dbraw/zinc/71/58/05/519715805.db2.gz MOQQBZUPGRTPJS-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC(C)[NH2+]Cc1ccc(COCCC[NH+](C)C)o1 ZINC000052672363 519726647 /nfs/dbraw/zinc/72/66/47/519726647.db2.gz ABGFJWJTDGTCHI-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC(C)[NH2+]Cc1coc(COCCC[NH+](C)C)c1 ZINC000052672544 519729166 /nfs/dbraw/zinc/72/91/66/519729166.db2.gz MGMJFHFSVUFWHN-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573458 519745807 /nfs/dbraw/zinc/74/58/07/519745807.db2.gz DEIQFDAXLYIREJ-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419753 519794877 /nfs/dbraw/zinc/79/48/77/519794877.db2.gz KONFRXQRQLEDOC-OAHLLOKOSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH2+]CC)c2ccccc2)CC1 ZINC000052422097 519859479 /nfs/dbraw/zinc/85/94/79/519859479.db2.gz VSHKJWDPJPGRJX-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH+]1CCN([C@@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000052422125 519859828 /nfs/dbraw/zinc/85/98/28/519859828.db2.gz FSGWYDDFVUCXLF-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)CC1 ZINC000054863927 519860852 /nfs/dbraw/zinc/86/08/52/519860852.db2.gz XODZVCGEHMVLQA-SNVBAGLBSA-N 2 0 268.430 2.003 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054602570 519909733 /nfs/dbraw/zinc/90/97/33/519909733.db2.gz RXGAYJGMOPAVIO-CVGRLMLNSA-N 2 0 277.456 2.218 10 0 CEAERP CCC[NH2+]CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515178 519912450 /nfs/dbraw/zinc/91/24/50/519912450.db2.gz XZFJPKDVQDLSPR-UHFFFAOYSA-N 3 0 255.450 2.040 10 0 CEAERP CC[NH2+]CCCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422903 519919245 /nfs/dbraw/zinc/91/92/45/519919245.db2.gz JOSXSUANVRGCSD-UHFFFAOYSA-N 2 0 291.439 2.207 10 0 CEAERP CCC[NH2+]C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484163 519930963 /nfs/dbraw/zinc/93/09/63/519930963.db2.gz PBEKEISDZLXXQD-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]Cc1c(C)cc(C)nc1N1CC[C@@H]([NH+](C)C)C1 ZINC000062971216 519943208 /nfs/dbraw/zinc/94/32/08/519943208.db2.gz YNKZFROQBKRSLU-OAHLLOKOSA-N 2 0 290.455 2.338 10 0 CEAERP CC[NH2+]C[C@@H](C)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702360 519944138 /nfs/dbraw/zinc/94/41/38/519944138.db2.gz OHPLHADTFMHFRM-GDBMZVCRSA-N 2 0 262.397 2.276 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[NH+]2Cc3ccccc3C2)O1 ZINC000052374500 519956016 /nfs/dbraw/zinc/95/60/16/519956016.db2.gz UIAKBVWWHRIGRN-JKSUJKDBSA-N 2 0 260.381 2.159 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074821 519958304 /nfs/dbraw/zinc/95/83/04/519958304.db2.gz ORGUSVYNTSNMCA-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](CC)CCOC)c1 ZINC000052542740 519964780 /nfs/dbraw/zinc/96/47/80/519964780.db2.gz YZJVJMAMFUOUGC-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[NH2+]C[C@H]1CC[N@H+](CCc2ccc(OC)cc2)C1 ZINC000053011069 519975678 /nfs/dbraw/zinc/97/56/78/519975678.db2.gz JEYRMBJNVJWYOL-OAHLLOKOSA-N 2 0 262.397 2.169 10 0 CEAERP CC[NH2+]Cc1cc(CN2CCC[C@H]2C[NH+](C)C)c(C)o1 ZINC000061654530 519988087 /nfs/dbraw/zinc/98/80/87/519988087.db2.gz HMLZLMGTLXHHQJ-HNNXBMFYSA-N 2 0 279.428 2.224 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074385 520008843 /nfs/dbraw/zinc/00/88/43/520008843.db2.gz UJBWNNJMSLGDLJ-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+]Cc1cnc(N2CC[NH+](CC(C)C)CC2)s1 ZINC000055076337 520015048 /nfs/dbraw/zinc/01/50/48/520015048.db2.gz HNKGVOCMDRRQJI-UHFFFAOYSA-N 2 0 282.457 2.031 10 0 CEAERP CCC[NH2+][C@H](CN(CCC)CC[NH+](C)C)C1CC1 ZINC000069074699 520082107 /nfs/dbraw/zinc/08/21/07/520082107.db2.gz TVVUFOBCEYKAJV-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970520 520092553 /nfs/dbraw/zinc/09/25/53/520092553.db2.gz LGQAUKFDVCGYRL-IKGGRYGDSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063121977 520092593 /nfs/dbraw/zinc/09/25/93/520092593.db2.gz QIXHBAKKLZLXFZ-IRXDYDNUSA-N 3 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081860 520118343 /nfs/dbraw/zinc/11/83/43/520118343.db2.gz GNTBBKYIAGSTPL-JKSUJKDBSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061655470 520181569 /nfs/dbraw/zinc/18/15/69/520181569.db2.gz UURZXGAJYVZNEN-VXGBXAGGSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072255 520213216 /nfs/dbraw/zinc/21/32/16/520213216.db2.gz MFBFREPHGNQKHT-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CCO[C@@H]1CCC[N@H+](CCC[C@@H]2CCCC[NH2+]2)C1 ZINC000050953647 520318729 /nfs/dbraw/zinc/31/87/29/520318729.db2.gz CFSJDDGBUWQNDE-LSDHHAIUSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH+](CC)C[C@H](C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206274 520735527 /nfs/dbraw/zinc/73/55/27/520735527.db2.gz YOKBOLQQXFNSOU-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C)CC[NH2+]C(C)C)C1 ZINC000062972180 520874768 /nfs/dbraw/zinc/87/47/68/520874768.db2.gz XELQVKXPJFQCMN-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@@]1(C(=O)NCCCC[N@H+](C)C(C)C)CC[NH2+]C1 ZINC000062902955 520942718 /nfs/dbraw/zinc/94/27/18/520942718.db2.gz CIOBTYSRFCQLLY-MRXNPFEDSA-N 2 0 283.460 2.003 10 0 CEAERP CCC[C@H](C)[C@@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078073 521064384 /nfs/dbraw/zinc/06/43/84/521064384.db2.gz PGUNHWJMSPAJNV-LSDHHAIUSA-N 2 0 255.450 2.024 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C)c(C)o1)[C@H](C)COC ZINC000052504774 521290588 /nfs/dbraw/zinc/29/05/88/521290588.db2.gz VIRRHLHKSRGJSX-LLVKDONJSA-N 2 0 254.374 2.164 10 0 CEAERP CCOc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642746 521421980 /nfs/dbraw/zinc/42/19/80/521421980.db2.gz URHPQDXUXDIZDK-WBVHZDCISA-N 2 0 291.439 2.111 10 0 CEAERP CCC(CC)(C[NH2+]C)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763387 521438879 /nfs/dbraw/zinc/43/88/79/521438879.db2.gz KSLQULLVRDEPIO-CQSZACIVSA-N 2 0 256.434 2.249 10 0 CEAERP CCCc1nc(N(C)[C@H]2CCC[N@H+](C)C2)sc1C[NH3+] ZINC000054998280 521529875 /nfs/dbraw/zinc/52/98/75/521529875.db2.gz UXAKHKBJBGITDQ-NSHDSACASA-N 2 0 282.457 2.085 10 0 CEAERP CC[NH+]1CCC(N(C)c2ncc([C@H](C)[NH3+])s2)CC1 ZINC000054897691 521569257 /nfs/dbraw/zinc/56/92/57/521569257.db2.gz RKEPUSFGNSZLSD-JTQLQIEISA-N 2 0 268.430 2.083 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCCC[NH+](C)C)CC1 ZINC000045663868 521583268 /nfs/dbraw/zinc/58/32/68/521583268.db2.gz SZVUPWNOWLABPS-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP CCC[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])OCC ZINC000062739586 521686940 /nfs/dbraw/zinc/68/69/40/521686940.db2.gz YGRASCCYZSDMPQ-OAHLLOKOSA-N 2 0 250.386 2.262 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C3CC3)c(C[NH2+]C)s2)C[C@@H]1C ZINC000069182930 521700799 /nfs/dbraw/zinc/70/07/99/521700799.db2.gz XQAAQWAYMDEXAY-NSHDSACASA-N 2 0 294.468 2.270 10 0 CEAERP CC[N@@H+]1CC[C@H](Cn2c(C)[nH+]c3cc(N)ccc32)C1 ZINC000052853064 521717557 /nfs/dbraw/zinc/71/75/57/521717557.db2.gz IJOYJYKFRFRALX-LBPRGKRZSA-N 2 0 258.369 2.269 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1oc2ccccc2c1C[NH3+] ZINC000061654611 521871543 /nfs/dbraw/zinc/87/15/43/521871543.db2.gz SLOQWIQHFYYIEC-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642788 521932002 /nfs/dbraw/zinc/93/20/02/521932002.db2.gz FHIGDRGGPQZTNF-NVXWUHKLSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2F)O1 ZINC000052541464 522094484 /nfs/dbraw/zinc/09/44/84/522094484.db2.gz LQSSPBVMBLLQOG-KGLIPLIRSA-N 2 0 266.360 2.025 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)on1 ZINC000052546714 522105011 /nfs/dbraw/zinc/10/50/11/522105011.db2.gz VQNVFQFBYUSYMQ-FZMZJTMJSA-N 2 0 251.374 2.405 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083441 522119392 /nfs/dbraw/zinc/11/93/92/522119392.db2.gz XOYRHOMWNZZQSV-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+]Cc1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062972573 522127699 /nfs/dbraw/zinc/12/76/99/522127699.db2.gz BJBRQEZLTGHRJO-KRWDZBQOSA-N 2 0 273.424 2.076 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063887 522128574 /nfs/dbraw/zinc/12/85/74/522128574.db2.gz HEGCSDMUIRIOSP-CJNGLKHVSA-N 2 0 279.403 2.242 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540372 522137353 /nfs/dbraw/zinc/13/73/53/522137353.db2.gz LAODJGXGBWVUFF-JKSUJKDBSA-N 2 0 260.381 2.159 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543960 522190057 /nfs/dbraw/zinc/19/00/57/522190057.db2.gz KEZQSQIQQMUPOZ-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979318 522378134 /nfs/dbraw/zinc/37/81/34/522378134.db2.gz FFDOZSHMRVEURN-ARFHVFGLSA-N 2 0 265.445 2.077 10 0 CEAERP CCc1nc(N2CC[NH+](C3CCCC3)CC2)sc1C[NH3+] ZINC000054998312 522384784 /nfs/dbraw/zinc/38/47/84/522384784.db2.gz ULOYMRYQMGTDNA-UHFFFAOYSA-N 2 0 294.468 2.229 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N(C)C3CC[NH+](C)CC3)sc21 ZINC000054899496 522390076 /nfs/dbraw/zinc/39/00/76/522390076.db2.gz ZNHUJWIWQBAGJM-GFCCVEGCSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@@H](CC[NH3+])[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC000051040746 522497441 /nfs/dbraw/zinc/49/74/41/522497441.db2.gz JNDGMIUZLVWANR-HNNXBMFYSA-N 2 0 276.428 2.030 10 0 CEAERP C[N@H+](CCC[C@H]1CCCC[NH2+]1)CCc1ccncc1 ZINC000050952808 522787106 /nfs/dbraw/zinc/78/71/06/522787106.db2.gz ZLDBWUWLTAILHI-MRXNPFEDSA-N 2 0 261.413 2.478 10 0 CEAERP C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CCCCC1 ZINC000052419330 522997638 /nfs/dbraw/zinc/99/76/38/522997638.db2.gz VCGJDKJZHBPNMX-UHFFFAOYSA-N 2 0 293.459 2.431 10 0 CEAERP CC[C@H]1CCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052375178 523108534 /nfs/dbraw/zinc/10/85/34/523108534.db2.gz XQVCCVAQZMHHAG-AWEZNQCLSA-N 2 0 279.432 2.041 10 0 CEAERP COCCC[N@H+](CCOC)[C@@H](C)CCC[NH2+]CC(C)C ZINC000052543287 523258649 /nfs/dbraw/zinc/25/86/49/523258649.db2.gz FFUMBNUGCJWDKQ-INIZCTEOSA-N 2 0 288.476 2.386 10 0 CEAERP CC[C@H]1CO[C@H](C)C[N@@H+]1CCC[C@@H]1CCCC[NH2+]1 ZINC000050953204 523350602 /nfs/dbraw/zinc/35/06/02/523350602.db2.gz NBHXCDPBQPSZEG-ILXRZTDVSA-N 2 0 254.418 2.408 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN(C)CC[NH+]1CCCC1 ZINC000063053555 523463856 /nfs/dbraw/zinc/46/38/56/523463856.db2.gz UNEGIMCKVNRQOK-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP COCC[N@H+](C)CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000052572856 523616356 /nfs/dbraw/zinc/61/63/56/523616356.db2.gz AGOVVXZFFMZLJF-UHFFFAOYSA-N 2 0 294.439 2.389 10 0 CEAERP COCC[N@H+](C)Cc1ccccc1C[NH2+]C(C)C ZINC000052572959 523624759 /nfs/dbraw/zinc/62/47/59/523624759.db2.gz XGYGUQZODHHCKG-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN1CC[NH+](C(C)C)CC1 ZINC000051217865 523639600 /nfs/dbraw/zinc/63/96/00/523639600.db2.gz AVRJTAJZUGKAQL-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP COCC[N@H+]([C@H](C)CC[NH2+]C1CC1)[C@@H](C)C1CC1 ZINC000052545476 523780313 /nfs/dbraw/zinc/78/03/13/523780313.db2.gz GVOOMEFREBTRIA-OLZOCXBDSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH+]1CCC(OC[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052596888 523780619 /nfs/dbraw/zinc/78/06/19/523780619.db2.gz IQNQWGRDMLZZDA-LSDHHAIUSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@H](C)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181189 523915135 /nfs/dbraw/zinc/91/51/35/523915135.db2.gz UJEJMVMEAGECMV-ZDUSSCGKSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H](C[NH3+])c2ccccc2)CC1 ZINC000055064215 523955157 /nfs/dbraw/zinc/95/51/57/523955157.db2.gz ZAZYEUXTXAIAIS-RDJZCZTQSA-N 2 0 275.440 2.145 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]CCOc1ccccc1 ZINC000049799988 524046315 /nfs/dbraw/zinc/04/63/15/524046315.db2.gz VYKFSOWWITUUTI-UHFFFAOYSA-N 2 0 250.386 2.243 10 0 CEAERP C[NH+](C)CCCOCc1oc2ccccc2c1C[NH3+] ZINC000052672529 524058242 /nfs/dbraw/zinc/05/82/42/524058242.db2.gz TVJHLUCGYMQOQY-UHFFFAOYSA-N 2 0 262.353 2.360 10 0 CEAERP COc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642042 524105214 /nfs/dbraw/zinc/10/52/14/524105214.db2.gz NMFKXYMJRLCCNN-FRFSOERESA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H](CC[NH2+]C(C)(C)C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654748 524193807 /nfs/dbraw/zinc/19/38/07/524193807.db2.gz WNNYEJKSUBIDCW-ZIAGYGMSSA-N 2 0 255.450 2.179 10 0 CEAERP Cc1ccc(C)c([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642865 524204767 /nfs/dbraw/zinc/20/47/67/524204767.db2.gz RRFAFTIOHZYIJM-NVXWUHKLSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@H]1CC[C@@H](N2CCC([NH+]3CCCCC3)CC2)C[NH2+]1 ZINC000062948759 524363424 /nfs/dbraw/zinc/36/34/24/524363424.db2.gz ZLHZWLLMPCOWCU-GOEBONIOSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H](CC[NH+](C)C)[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000049557293 524475407 /nfs/dbraw/zinc/47/54/07/524475407.db2.gz ZKEMQNJQKKIUFM-SMDDNHRTSA-N 2 0 270.804 2.303 10 0 CEAERP C[C@@H](CC[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573560 524498757 /nfs/dbraw/zinc/49/87/57/524498757.db2.gz BTBOWXXBRKJAQJ-AWEZNQCLSA-N 2 0 265.445 2.077 10 0 CEAERP C[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc3O2)CC[C@H](C)[NH2+]1 ZINC000051087204 524506421 /nfs/dbraw/zinc/50/64/21/524506421.db2.gz ZKOODWFRIKRWJS-LZWOXQAQSA-N 2 0 274.408 2.453 10 0 CEAERP C[C@@H](C[NH3+])C[N@@H+]1CCCN(Cc2ccc(F)cc2F)CC1 ZINC000050872133 524582171 /nfs/dbraw/zinc/58/21/71/524582171.db2.gz ZTKGHFVXDLJZSF-ZDUSSCGKSA-N 2 0 297.393 2.067 10 0 CEAERP C[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000068615241 524650411 /nfs/dbraw/zinc/65/04/11/524650411.db2.gz JWLJHIBZSLTBIE-ARFHVFGLSA-N 2 0 281.488 2.427 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000050578943 525001904 /nfs/dbraw/zinc/00/19/04/525001904.db2.gz POFPLDYTNDRIFZ-QGZVFWFLSA-N 2 0 291.414 2.162 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055077952 525007712 /nfs/dbraw/zinc/00/77/12/525007712.db2.gz DDVQKTBGBOPEHT-KRWDZBQOSA-N 2 0 293.430 2.408 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087211 525105146 /nfs/dbraw/zinc/10/51/46/525105146.db2.gz SVZYNCTXAAQQOK-YCPHGPKFSA-N 2 0 274.408 2.310 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1C ZINC000061642733 525756194 /nfs/dbraw/zinc/75/61/94/525756194.db2.gz CYFJXDFVKIYNJL-IAGOWNOFSA-N 2 0 275.440 2.329 10 0 CEAERP NC(=[NH2+])c1ccc(OCC[NH+]2CCCC2)c(Cl)c1 ZINC000062794755 526822981 /nfs/dbraw/zinc/82/29/81/526822981.db2.gz TUXZCYFIURTNJO-UHFFFAOYSA-N 2 0 267.760 2.099 10 0 CEAERP [NH3+]Cc1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000061702261 527261014 /nfs/dbraw/zinc/26/10/14/527261014.db2.gz FNILCXPNZONLQO-MRXNPFEDSA-N 2 0 283.375 2.194 10 0 CEAERP Cc1ncc(C[NH2+]CCC[C@@H]2CCCC[NH2+]2)s1 ZINC000050953534 527270134 /nfs/dbraw/zinc/27/01/34/527270134.db2.gz KLVCMDHGHJGUQX-LBPRGKRZSA-N 2 0 253.415 2.463 10 0 CEAERP NNc1[nH+]cccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000052718530 527288094 /nfs/dbraw/zinc/28/80/94/527288094.db2.gz VMMHWMZFUNNAGY-CHWSQXEVSA-N 2 0 260.385 2.379 10 0 CEAERP CC[NH2+]Cc1ccc(N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)nc1 ZINC000094443278 535479475 /nfs/dbraw/zinc/47/94/75/535479475.db2.gz IQIDCAWYKVLUCZ-HOCLYGCPSA-N 2 0 288.439 2.254 10 0 CEAERP CC(C)[C@@H]1[NH2+]C2(CC[NH+](C)CC2)OCC12CCC2 ZINC000757138795 574510152 /nfs/dbraw/zinc/51/01/52/574510152.db2.gz DRPIVZQAIJGDON-ZDUSSCGKSA-N 2 0 252.402 2.223 10 0 CEAERP CCC1(CC)C[NH2+]C2(CC[NH+](C3CC3)CC2)OC1 ZINC000757144602 574510283 /nfs/dbraw/zinc/51/02/83/574510283.db2.gz GEIUETWEOWWMEO-UHFFFAOYSA-N 2 0 252.402 2.367 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757146026 574510404 /nfs/dbraw/zinc/51/04/04/574510404.db2.gz JEJLZRPPPFKNCS-ZDUSSCGKSA-N 2 0 254.418 2.469 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606190 623394273 /nfs/dbraw/zinc/39/42/73/623394273.db2.gz RMCHZKLPJIECOG-TUKIKUTGSA-N 2 0 280.799 2.388 10 0 CEAERP CCN1CCC[C@H]1C[N@H+](C)CCCCCCC[NH3+] ZINC000092633591 628344149 /nfs/dbraw/zinc/34/41/49/628344149.db2.gz PRBJWCHJEPAOQH-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)CC[NH2+]1 ZINC000261557321 628937935 /nfs/dbraw/zinc/93/79/35/628937935.db2.gz CNCHXRSRWVLMAY-KBXIAJHMSA-N 2 0 252.402 2.018 10 0 CEAERP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](c2ccc(C=O)s2)[NH2+]1 ZINC000757217692 631837055 /nfs/dbraw/zinc/83/70/55/631837055.db2.gz SACDGQRTELKFCD-IZWKTGJZSA-N 2 0 252.383 2.195 10 0 CEAERP CCC[NH2+][C@H](CO)CC[N@H+](CCC(C)C)C1CC1 ZINC000096836946 185116283 /nfs/dbraw/zinc/11/62/83/185116283.db2.gz KFWCKAAVNHAXRD-AWEZNQCLSA-N 2 0 256.434 2.248 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCC)CC1 ZINC000037825982 361950637 /nfs/dbraw/zinc/95/06/37/361950637.db2.gz FDWPXMMNIWSAIX-HNNXBMFYSA-N 2 0 283.460 2.084 10 0 CEAERP CC1CCC(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000089575675 539167590 /nfs/dbraw/zinc/16/75/90/539167590.db2.gz ZEERRJKHMXYTIU-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CC1(C)CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264622 539212767 /nfs/dbraw/zinc/21/27/67/539212767.db2.gz YRLGSMRWYVREDV-CHWSQXEVSA-N 2 0 252.402 2.005 10 0 CEAERP CCC1(CC)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@@H]1OC ZINC000245869415 539313022 /nfs/dbraw/zinc/31/30/22/539313022.db2.gz JDUQZKIGTCEBOC-OAGGEKHMSA-N 2 0 298.471 2.017 10 0 CEAERP C[C@@H]1C[C@H](N2CC[C@H]([NH3+])C[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307637304 344723895 /nfs/dbraw/zinc/72/38/95/344723895.db2.gz WRLXYLZYLLOXFD-FZCLSBEQSA-N 2 0 287.451 2.461 10 0 CEAERP CC1=CC(SC(N)=[NH2+])=CC[C@]1(C)SC(N)=[NH2+] ZINC000584657612 344974137 /nfs/dbraw/zinc/97/41/37/344974137.db2.gz WOLVUMQUEKOTHT-JTQLQIEISA-N 2 0 256.400 2.232 10 0 CEAERP CCCC1CC[NH+](CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302056 179011493 /nfs/dbraw/zinc/01/14/93/179011493.db2.gz DNNAMLBFEZUTCR-OAHLLOKOSA-N 2 0 256.434 2.379 10 0 CEAERP C1CC([C@H]2CCCCC[N@@H+]2C2CCOCC2)CC[NH2+]1 ZINC000085403689 179052855 /nfs/dbraw/zinc/05/28/55/179052855.db2.gz YOVWCWYNWUVFIG-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP OCCCCC[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403793 179052994 /nfs/dbraw/zinc/05/29/94/179052994.db2.gz DZVTVTGDJHSCSB-MRXNPFEDSA-N 2 0 268.445 2.393 10 0 CEAERP CC(C)NC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403510 179053000 /nfs/dbraw/zinc/05/30/00/179053000.db2.gz ZRKWABRFSZWVDY-GOEBONIOSA-N 2 0 295.471 2.144 10 0 CEAERP CCCc1nc2c(n1[C@H]1CCC[N@H+](CC)C1)CC[NH2+]C2 ZINC000085572804 179097996 /nfs/dbraw/zinc/09/79/96/179097996.db2.gz UUUXNKUEUXFZRC-ZDUSSCGKSA-N 2 0 276.428 2.138 10 0 CEAERP CC(C)Cc1nc2c(n1C[C@H]1CCC[N@H+](C)C1)CC[NH2+]C2 ZINC000085572757 179096905 /nfs/dbraw/zinc/09/69/05/179096905.db2.gz PCZNTVYKJAQALI-AWEZNQCLSA-N 2 0 290.455 2.069 10 0 CEAERP CC(C)c1nc2c(n1[C@@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573484 179098454 /nfs/dbraw/zinc/09/84/54/179098454.db2.gz KLZGWIVECADEIW-LBPRGKRZSA-N 2 0 264.417 2.165 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085574280 179099146 /nfs/dbraw/zinc/09/91/46/179099146.db2.gz BUEWLBBMUCMDSB-CYBMUJFWSA-N 2 0 288.439 2.453 10 0 CEAERP C1CC1c1nc2c(n1[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC[NH2+]C2 ZINC000085573583 179099633 /nfs/dbraw/zinc/09/96/33/179099633.db2.gz NOQUFHGGLAFUCN-JKSUJKDBSA-N 2 0 286.423 2.206 10 0 CEAERP Cn1c2ccccc2nc1NC[C@]1(C)CCC[NH2+]C1 ZINC000129327919 365846904 /nfs/dbraw/zinc/84/69/04/365846904.db2.gz NFYXFTQUOPOWDT-OAHLLOKOSA-N 2 0 258.369 2.375 10 0 CEAERP C[NH+]1CCC(C[N@@H+]2CCN[C@@](C)(c3ccccc3)C2)CC1 ZINC000086145630 179238159 /nfs/dbraw/zinc/23/81/59/179238159.db2.gz YQBFCALAQUEUIU-GOSISDBHSA-N 2 0 287.451 2.149 10 0 CEAERP CC[C@H](C)[C@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086153960 179241309 /nfs/dbraw/zinc/24/13/09/179241309.db2.gz WBIJVSRNDJOKFP-UAGQMJEPSA-N 2 0 281.488 2.425 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086173281 179244229 /nfs/dbraw/zinc/24/42/29/179244229.db2.gz DRXWRKFYOQSAFA-XHSDSOJGSA-N 2 0 269.477 2.281 10 0 CEAERP CC(C)[C@@H]1CN([C@@H](C)CC[NH+](C)C)[C@@H](C(C)C)C[NH2+]1 ZINC000086173280 179244268 /nfs/dbraw/zinc/24/42/68/179244268.db2.gz DRXWRKFYOQSAFA-HRCADAONSA-N 2 0 269.477 2.281 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172106 179244445 /nfs/dbraw/zinc/24/44/45/179244445.db2.gz RURXMBMRKLYMAR-HZMVEIRTSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182645 179248137 /nfs/dbraw/zinc/24/81/37/179248137.db2.gz XCOLGXQKTJJTEF-HZPDHXFCSA-N 2 0 277.456 2.077 10 0 CEAERP CC[C@H]1C[NH2+]C(CC)(CC)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223095 179250963 /nfs/dbraw/zinc/25/09/63/179250963.db2.gz OUPMFZNXFDWWRO-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086223179 179251539 /nfs/dbraw/zinc/25/15/39/179251539.db2.gz UUWDXNWAEUYIHU-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC(C)(C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086225401 179253083 /nfs/dbraw/zinc/25/30/83/179253083.db2.gz SRFMLLLTKFREOL-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086225380 179253092 /nfs/dbraw/zinc/25/30/92/179253092.db2.gz RAQJKXGKLWTJRC-ZACQAIPSSA-N 2 0 279.472 2.323 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182773 179247819 /nfs/dbraw/zinc/24/78/19/179247819.db2.gz CCFHMDCFNKMITC-BRWVUGGUSA-N 2 0 293.499 2.425 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182765 179247846 /nfs/dbraw/zinc/24/78/46/179247846.db2.gz CCFHMDCFNKMITC-BBWFWOEESA-N 2 0 293.499 2.425 10 0 CEAERP CC(C)[C@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261044 179260317 /nfs/dbraw/zinc/26/03/17/179260317.db2.gz FVQFTRMBCBGDCN-SJORKVTESA-N 2 0 281.488 2.427 10 0 CEAERP CCC1(CC)CN(CCCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000086261084 179260560 /nfs/dbraw/zinc/26/05/60/179260560.db2.gz OGRCSILYYXFVQS-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H]1CN[C@@](C)(CC)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259054 179257054 /nfs/dbraw/zinc/25/70/54/179257054.db2.gz LPIZUJNNCSGGQP-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2C[C@@H](C(C)(C)C)NC[C@@H]2C)CC1 ZINC000086259178 179257504 /nfs/dbraw/zinc/25/75/04/179257504.db2.gz DTDQEYVQGOFGJC-HOCLYGCPSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259118 179257510 /nfs/dbraw/zinc/25/75/10/179257510.db2.gz DQKNOGUFTROAKU-IRXDYDNUSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N3CCC[C@@H]3C[NH+](C)C)nc21 ZINC000086443983 179293595 /nfs/dbraw/zinc/29/35/95/179293595.db2.gz UJUSBJWCEVKDDD-VXGBXAGGSA-N 2 0 294.468 2.270 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N3CC[N@H+](C)C(C)(C)C3)nc21 ZINC000086444165 179293704 /nfs/dbraw/zinc/29/37/04/179293704.db2.gz MBYYMWFKAMJWJC-NSHDSACASA-N 2 0 294.468 2.270 10 0 CEAERP [NH3+][C@H]1CCCc2sc(N3CC[C@@H]([NH+]4CCCC4)C3)nc21 ZINC000086444086 179293719 /nfs/dbraw/zinc/29/37/19/179293719.db2.gz BTJYXHLYARJBDO-NEPJUHHUSA-N 2 0 292.452 2.154 10 0 CEAERP C[C@@H]1CCC[C@]1(CN)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000086677175 179319404 /nfs/dbraw/zinc/31/94/04/179319404.db2.gz UQYFLFSAVWRVSZ-NVXWUHKLSA-N 2 0 279.472 2.312 10 0 CEAERP COCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC000086818817 179347512 /nfs/dbraw/zinc/34/75/12/179347512.db2.gz JXMAHYGOCIJNIY-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH2+][C@@H]1CCC[NH+](C)CC1 ZINC000086818999 179348377 /nfs/dbraw/zinc/34/83/77/179348377.db2.gz RNYUDTFFKXKXAU-OAHLLOKOSA-N 3 0 255.450 2.181 10 0 CEAERP CN(CC1CCCCC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819417 179348642 /nfs/dbraw/zinc/34/86/42/179348642.db2.gz GOTUPURUQXSCFY-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H](CN[C@@H]1CCC[N@H+](C)CC1)C[NH+]1CCCCC1 ZINC000086818833 179348922 /nfs/dbraw/zinc/34/89/22/179348922.db2.gz NEKOTMUPEZYDDP-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[NH+](CCN[C@H]1CCC[N@H+](C)CC1)C(C)C ZINC000086817018 179344804 /nfs/dbraw/zinc/34/48/04/179344804.db2.gz GDJIKULTERFXOI-HNNXBMFYSA-N 2 0 255.450 2.179 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)CCC(C)C)CC1 ZINC000086847654 179356245 /nfs/dbraw/zinc/35/62/45/179356245.db2.gz GLPKTWSPBVSRMJ-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)CC2CCC2)CC1 ZINC000086848490 179356889 /nfs/dbraw/zinc/35/68/89/179356889.db2.gz OAMYCXQXQNIIJS-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840333 179351872 /nfs/dbraw/zinc/35/18/72/179351872.db2.gz AHVJIPSJLXYKBQ-HNNXBMFYSA-N 2 0 279.472 2.466 10 0 CEAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086841975 179353438 /nfs/dbraw/zinc/35/34/38/179353438.db2.gz IJRVVUULCVGYGO-LSDHHAIUSA-N 2 0 283.460 2.144 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000086840459 179353706 /nfs/dbraw/zinc/35/37/06/179353706.db2.gz BDZBALNOYKDLJF-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2CCCCC[C@@H]2C)CC1 ZINC000086848912 179358419 /nfs/dbraw/zinc/35/84/19/179358419.db2.gz IKXOKGQUUZXQKV-HOTGVXAUSA-N 2 0 267.461 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N(CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC000086851099 179358887 /nfs/dbraw/zinc/35/88/87/179358887.db2.gz OBZKOEZJXUWICT-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP [NH3+]C[C@@]1([N@@H+]2CCCc3ccccc3C2)CCCOCC1 ZINC000086875753 179365611 /nfs/dbraw/zinc/36/56/11/179365611.db2.gz ZTUGCOZQLORUCG-QGZVFWFLSA-N 2 0 274.408 2.333 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](CC)CC2)CC1 ZINC000086910436 179366767 /nfs/dbraw/zinc/36/67/67/179366767.db2.gz CCOYOQGYSIZWRG-CVEARBPZSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947876 179369091 /nfs/dbraw/zinc/36/90/91/179369091.db2.gz LDZMOIROVXVTEA-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP C[NH+](C)C[C@H](N[C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000128894402 187396635 /nfs/dbraw/zinc/39/66/35/187396635.db2.gz IOGUZKWLZAWGEC-CVEARBPZSA-N 2 0 261.413 2.021 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)C(C)(C)[NH3+])CC1 ZINC000087628347 179459073 /nfs/dbraw/zinc/45/90/73/179459073.db2.gz WHZXRXPJCWFNCY-UHFFFAOYSA-N 2 0 297.487 2.330 10 0 CEAERP C(COC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000087778113 179484639 /nfs/dbraw/zinc/48/46/39/179484639.db2.gz RNVQNNJWQICEDR-GDBMZVCRSA-N 2 0 266.429 2.410 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC(=O)CC1([NH2+]C)CCCCC1 ZINC000087577669 179449079 /nfs/dbraw/zinc/44/90/79/179449079.db2.gz YFZUZWWLMKIYHL-AWEZNQCLSA-N 2 0 283.460 2.145 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)O1 ZINC000088438033 179601765 /nfs/dbraw/zinc/60/17/65/179601765.db2.gz BMMUTFJXXIXKCW-STQMWFEESA-N 2 0 294.361 2.418 10 0 CEAERP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2C[NH3+])cs1 ZINC000089402220 179781888 /nfs/dbraw/zinc/78/18/88/179781888.db2.gz WSYPSONKPWNQEO-NEPJUHHUSA-N 2 0 253.415 2.306 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456778 179794837 /nfs/dbraw/zinc/79/48/37/179794837.db2.gz KCPFQEXNUMJVDX-HOTGVXAUSA-N 2 0 297.487 2.188 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC000090566291 180005240 /nfs/dbraw/zinc/00/52/40/180005240.db2.gz OLZGFQPRPWETQX-SJORKVTESA-N 2 0 276.424 2.441 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC000090565998 180005280 /nfs/dbraw/zinc/00/52/80/180005280.db2.gz FRBKQGDKZHTMPP-JKSUJKDBSA-N 2 0 262.397 2.133 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566820 180006345 /nfs/dbraw/zinc/00/63/45/180006345.db2.gz YJQKZSJBQXXRKX-ZIAGYGMSSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@]2(C)COC[C@H]2[NH3+])CC1 ZINC000090620797 180013618 /nfs/dbraw/zinc/01/36/18/180013618.db2.gz SOAOUNGTAUKGHL-UKRRQHHQSA-N 2 0 254.418 2.108 10 0 CEAERP C[N@H+](CCCOCC(F)(F)F)CC[C@H]1CCCC[NH2+]1 ZINC000090693314 180025038 /nfs/dbraw/zinc/02/50/38/180025038.db2.gz GAYOSBRNOFRIJD-GFCCVEGCSA-N 2 0 282.350 2.419 10 0 CEAERP C[N@@H+](CCc1ccc2c(c1)CCO2)CCC1CC[NH2+]CC1 ZINC000090694048 180026068 /nfs/dbraw/zinc/02/60/68/180026068.db2.gz SDAJNYPXTMIOLS-UHFFFAOYSA-N 2 0 288.435 2.486 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090873632 180049754 /nfs/dbraw/zinc/04/97/54/180049754.db2.gz ARGVWVZILBHACU-DOMZBBRYSA-N 2 0 260.381 2.049 10 0 CEAERP c1ccc2c(c1)C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O2 ZINC000090874331 180050012 /nfs/dbraw/zinc/05/00/12/180050012.db2.gz MBFIDSATWZUCCB-XJKSGUPXSA-N 2 0 272.392 2.064 10 0 CEAERP C[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876292 180051766 /nfs/dbraw/zinc/05/17/66/180051766.db2.gz UBSYZLXXKSJWOX-QLFBSQMISA-N 2 0 260.381 2.049 10 0 CEAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878922 180053146 /nfs/dbraw/zinc/05/31/46/180053146.db2.gz WJVZOCSESARQFG-ZOWXZIJZSA-N 2 0 278.371 2.188 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c2ncccc12 ZINC000091019419 180087871 /nfs/dbraw/zinc/08/78/71/180087871.db2.gz VVIWGQBKQMTBOS-YHWZYXNKSA-N 2 0 256.353 2.017 10 0 CEAERP c1cc(C[N@@H+](CC[C@H]2C[NH2+]CCO2)C2CC2)cs1 ZINC000091313822 180132520 /nfs/dbraw/zinc/13/25/20/180132520.db2.gz POWNAWFSZQQZSP-AWEZNQCLSA-N 2 0 266.410 2.091 10 0 CEAERP c1csc(C[N@@H+](CC[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000091313873 180133022 /nfs/dbraw/zinc/13/30/22/180133022.db2.gz JVHSGYQQSQWYGS-ZDUSSCGKSA-N 2 0 266.410 2.091 10 0 CEAERP CCCc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1C[NH2+]C ZINC000091431478 180153426 /nfs/dbraw/zinc/15/34/26/180153426.db2.gz UUPAWSVXVNEMGR-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CC(C)COc1ccc(C2(C[NH3+])CC[NH2+]CC2)cc1 ZINC000091475946 180166414 /nfs/dbraw/zinc/16/64/14/180166414.db2.gz WBPUTCVPPVTAMG-UHFFFAOYSA-N 2 0 262.397 2.301 10 0 CEAERP C[NH2+][C@H](CC[N@H+](C)CC1CC(O)C1)c1ccccc1 ZINC000091489216 180168391 /nfs/dbraw/zinc/16/83/91/180168391.db2.gz FCTGVBJUGLCUPM-AVVWSFFYSA-N 2 0 262.397 2.040 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091392282 180144793 /nfs/dbraw/zinc/14/47/93/180144793.db2.gz WDULQNQABZSKQC-OWCLPIDISA-N 2 0 267.461 2.310 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391982 180145097 /nfs/dbraw/zinc/14/50/97/180145097.db2.gz AXJMVQQUVUVCLV-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H](C)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091392831 180145342 /nfs/dbraw/zinc/14/53/42/180145342.db2.gz LURNGUQDRNGSHC-BHYGNILZSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H]1CC[C@H](C[NH3+])[C@H](N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091392779 180145408 /nfs/dbraw/zinc/14/54/08/180145408.db2.gz FSYVLHUQENXESF-LVQVYYBASA-N 2 0 267.461 2.166 10 0 CEAERP Cc1ccccc1[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000091394721 180146471 /nfs/dbraw/zinc/14/64/71/180146471.db2.gz SHHGTAUJXKIRAX-GOEBONIOSA-N 2 0 261.413 2.021 10 0 CEAERP COc1ccc(C)cc1[C@H]([NH3+])CN1CCC[C@H]([NH+](C)C)C1 ZINC000091395497 180146638 /nfs/dbraw/zinc/14/66/38/180146638.db2.gz YRDWLKUCFZXXAR-GOEBONIOSA-N 2 0 291.439 2.029 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CCC([NH+](C)C)CC1 ZINC000091402890 180147222 /nfs/dbraw/zinc/14/72/22/180147222.db2.gz HJKVAPKRBGVLEY-ZDUSSCGKSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000091405175 180147424 /nfs/dbraw/zinc/14/74/24/180147424.db2.gz ZJMUUKNIVNLMSG-KGLIPLIRSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[NH+]1CCC(CO)CC1 ZINC000091402181 180147546 /nfs/dbraw/zinc/14/75/46/180147546.db2.gz YNMSRQGYSCOBEP-ZDUSSCGKSA-N 2 0 256.434 2.105 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC(C)(C)[C@@H](C)[NH2+]C)C1 ZINC000091404964 180147597 /nfs/dbraw/zinc/14/75/97/180147597.db2.gz WDNPMMZCVHQDMR-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H]([C@@H]1CCOC1)[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000091652568 180216982 /nfs/dbraw/zinc/21/69/82/180216982.db2.gz ZLZOFCCYAJFHSO-KBUPBQIOSA-N 2 0 254.418 2.121 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cnccc1N ZINC000091716778 180232712 /nfs/dbraw/zinc/23/27/12/180232712.db2.gz LICFNPFLXHVVFS-HNNXBMFYSA-N 2 0 278.444 2.306 10 0 CEAERP C[N@H+](C[C@H]1Cc2ccccc2O1)C1CCC([NH3+])CC1 ZINC000091848046 180270908 /nfs/dbraw/zinc/27/09/08/180270908.db2.gz DRBDOENFMSDSIZ-YMAMQOFZSA-N 2 0 260.381 2.192 10 0 CEAERP CCN(C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850411 180271952 /nfs/dbraw/zinc/27/19/52/180271952.db2.gz GWMIKYRZHIGUKQ-QHSYURCPSA-N 2 0 295.471 2.366 10 0 CEAERP CC[N@H+](Cc1cc(C(N)=O)ccc1F)C1CCC([NH3+])CC1 ZINC000091850981 180272190 /nfs/dbraw/zinc/27/21/90/180272190.db2.gz ZNLAPROBLAVVLH-UHFFFAOYSA-N 2 0 293.386 2.016 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000091870031 180276906 /nfs/dbraw/zinc/27/69/06/180276906.db2.gz DQMBQGWTOMOMKZ-WUCCLRPBSA-N 2 0 254.418 2.142 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000091870301 180276934 /nfs/dbraw/zinc/27/69/34/180276934.db2.gz QIDWIRNQVJBRST-YMAMQOFZSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@](O)([C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCCC1 ZINC000091908006 180284238 /nfs/dbraw/zinc/28/42/38/180284238.db2.gz JLPHQWDUDYSQDA-ZIAGYGMSSA-N 2 0 254.418 2.036 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000092202728 180343324 /nfs/dbraw/zinc/34/33/24/180343324.db2.gz HNZZGRDBCWOASD-HUUCEWRRSA-N 2 0 285.391 2.124 10 0 CEAERP [NH3+]C[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092262859 180355212 /nfs/dbraw/zinc/35/52/12/180355212.db2.gz DPRCPFUJLQGTOJ-OCCSQVGLSA-N 2 0 262.422 2.374 10 0 CEAERP c1ccc2c(c1)OC[C@@H]2C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000092299780 180358702 /nfs/dbraw/zinc/35/87/02/180358702.db2.gz UGXTXCKWZFAFGA-KGLIPLIRSA-N 2 0 272.392 2.237 10 0 CEAERP CC1(C)[C@@H]2C[NH2+]C[C@H]2C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092304623 180359944 /nfs/dbraw/zinc/35/99/44/180359944.db2.gz BFHCMNWAXHCQMA-GZBFAFLISA-N 2 0 272.392 2.092 10 0 CEAERP CNc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000092370470 180369641 /nfs/dbraw/zinc/36/96/41/180369641.db2.gz YNQCAUHZUAMASS-UHFFFAOYSA-N 2 0 288.439 2.431 10 0 CEAERP CC(C)[C@H]1CSC(NCCC[NH+]2CCCC2)=[NH+]1 ZINC000092402666 180378160 /nfs/dbraw/zinc/37/81/60/180378160.db2.gz ZHWIBYLKAZGTKG-GFCCVEGCSA-N 2 0 255.431 2.189 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000109495993 186256516 /nfs/dbraw/zinc/25/65/16/186256516.db2.gz KAKWEQCMVPCNLW-STQMWFEESA-N 2 0 280.416 2.329 10 0 CEAERP CC[C@@H](c1nc(CC[NH+](CC)CC)no1)[C@@H](C)[NH2+]C ZINC000109496120 186256781 /nfs/dbraw/zinc/25/67/81/186256781.db2.gz GGOKOQGZIDBTEP-VXGBXAGGSA-N 2 0 268.405 2.055 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@@H]1c1nc(CC[NH+](CC)CC)no1 ZINC000109496088 186256920 /nfs/dbraw/zinc/25/69/20/186256920.db2.gz CVYBPTWUANEQKE-QWHCGFSZSA-N 2 0 280.416 2.200 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000109604122 186268015 /nfs/dbraw/zinc/26/80/15/186268015.db2.gz ZBCMTCSYUHVJGJ-CQSZACIVSA-N 2 0 294.370 2.202 10 0 CEAERP [NH2+]=C(Nc1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110368917 186294008 /nfs/dbraw/zinc/29/40/08/186294008.db2.gz JELVDVUWXKPVCV-CQSZACIVSA-N 2 0 258.369 2.203 10 0 CEAERP CCN(CC)[C@H]1CC[N@H+](CC2(CC)CC[NH2+]CC2)C1 ZINC000110370751 186294938 /nfs/dbraw/zinc/29/49/38/186294938.db2.gz IQBKUDBXRCFHQY-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)CC1CCCC1 ZINC000110841218 186328080 /nfs/dbraw/zinc/32/80/80/186328080.db2.gz CKBUGZLLJWOTOH-HNNXBMFYSA-N 2 0 270.417 2.169 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC([NH+](C)C)CC2)cc1F ZINC000110977156 186338806 /nfs/dbraw/zinc/33/88/06/186338806.db2.gz PTHNPAWSHPUSED-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(OC)c(C)c2)C[C@@H]1C ZINC000110708679 186314269 /nfs/dbraw/zinc/31/42/69/186314269.db2.gz DQDPPDOYKZGXFK-HOCLYGCPSA-N 2 0 291.439 2.029 10 0 CEAERP CC[N@@H+]1CCN([C@@H](CC[NH3+])c2ccccc2)C[C@@H]1C ZINC000110705820 186314447 /nfs/dbraw/zinc/31/44/47/186314447.db2.gz PMUILJCNUMLNCI-HOCLYGCPSA-N 2 0 261.413 2.103 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705215 186315069 /nfs/dbraw/zinc/31/50/69/186315069.db2.gz ATTKKHCDIYAISO-DOMZBBRYSA-N 2 0 279.403 2.240 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CC[N@@H+]1C ZINC000110710006 186316100 /nfs/dbraw/zinc/31/61/00/186316100.db2.gz KIUKDQOPDLWYQN-SJORKVTESA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110716348 186316252 /nfs/dbraw/zinc/31/62/52/186316252.db2.gz BUHWIPOPIKZZAU-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])[C@@H](C)c2ccccc2)CC[N@@H+]1C ZINC000110710274 186316599 /nfs/dbraw/zinc/31/65/99/186316599.db2.gz KKBVZETZPRBUNP-UAGQMJEPSA-N 2 0 275.440 2.143 10 0 CEAERP CC[N@@H+]1CCN(Cc2cc([C@@H](C)[NH3+])ccc2OC)C[C@@H]1C ZINC000110714865 186316777 /nfs/dbraw/zinc/31/67/77/186316777.db2.gz KZDBXEHSOFFBMU-UONOGXRCSA-N 2 0 291.439 2.241 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757978 186320003 /nfs/dbraw/zinc/32/00/03/186320003.db2.gz VEYBTLFNJSWPOB-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754750 186320324 /nfs/dbraw/zinc/32/03/24/186320324.db2.gz ZDQWKEQHGFBSMB-UHFFFAOYSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@@H]1C[N@H+](Cc2c3ccccc3sc2C[NH3+])CCN1C ZINC000110751012 186320636 /nfs/dbraw/zinc/32/06/36/186320636.db2.gz ORMGLHCIZDKNQG-GFCCVEGCSA-N 2 0 289.448 2.496 10 0 CEAERP CC[C@@H]1C[N@H+](CCCCC[NH2+]CC(C)C)CCN1C ZINC000110753811 186321126 /nfs/dbraw/zinc/32/11/26/186321126.db2.gz BVDAWBBBQXMCNK-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CC2CCOCC2)CC1 ZINC000111157321 186362818 /nfs/dbraw/zinc/36/28/18/186362818.db2.gz GXGDZKVTGVZFAJ-CYBMUJFWSA-N 2 0 254.418 2.123 10 0 CEAERP C[N@H+](CC1CCOCC1)[C@H](CC[NH3+])c1ccccc1 ZINC000111157530 186363188 /nfs/dbraw/zinc/36/31/88/186363188.db2.gz QIAZRVIZUZELEF-MRXNPFEDSA-N 2 0 262.397 2.435 10 0 CEAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133619 186355996 /nfs/dbraw/zinc/35/59/96/186355996.db2.gz OVODXBNUFSZEOM-HOCLYGCPSA-N 2 0 263.429 2.001 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111133415 186356612 /nfs/dbraw/zinc/35/66/12/186356612.db2.gz PSCRWAWXNSWIPX-CYBMUJFWSA-N 2 0 269.458 2.194 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(C)CCC[NH+](C)C ZINC000111131606 186356719 /nfs/dbraw/zinc/35/67/19/186356719.db2.gz WYYUXUZNCOAVES-HIFRSBDPSA-N 2 0 267.417 2.250 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N(C)CCC[NH+](C)C ZINC000111133621 186356742 /nfs/dbraw/zinc/35/67/42/186356742.db2.gz OVODXBNUFSZEOM-ZBFHGGJFSA-N 2 0 263.429 2.001 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1ccccc1Cl ZINC000111131737 186356807 /nfs/dbraw/zinc/35/68/07/186356807.db2.gz RSNQHQDMIVGNBK-CQSZACIVSA-N 2 0 269.820 2.223 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135149 186356968 /nfs/dbraw/zinc/35/69/68/186356968.db2.gz XJKMUWIQRGGQTR-INIZCTEOSA-N 2 0 293.455 2.148 10 0 CEAERP CCc1ccc([C@H](CN(C)CCC[NH+](C)C)[NH2+]C)cc1 ZINC000111135921 186357448 /nfs/dbraw/zinc/35/74/48/186357448.db2.gz JVMLFOJARMIIEI-KRWDZBQOSA-N 2 0 277.456 2.393 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136079 186357685 /nfs/dbraw/zinc/35/76/85/186357685.db2.gz IBNATCWMKCWLNN-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccccc1OC ZINC000111135938 186357796 /nfs/dbraw/zinc/35/77/96/186357796.db2.gz OVZPZRFDEIQDAH-INIZCTEOSA-N 2 0 293.455 2.229 10 0 CEAERP CC(C)[NH2+]C[C@@](C)(CN(C)CC[NH+](C)C)c1ccccc1 ZINC000111146634 186358718 /nfs/dbraw/zinc/35/87/18/186358718.db2.gz FQNVGXLEGBGMAU-SFHVURJKSA-N 2 0 291.483 2.436 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN(C)CCC[NH+](C)C ZINC000111148200 186359391 /nfs/dbraw/zinc/35/93/91/186359391.db2.gz ZJFXDAGUMNVVTF-INIZCTEOSA-N 2 0 263.429 2.268 10 0 CEAERP C[NH2+]Cc1ccccc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174872 186365267 /nfs/dbraw/zinc/36/52/67/186365267.db2.gz QLEVJTIAPBYWFE-AWEZNQCLSA-N 2 0 262.397 2.264 10 0 CEAERP C[NH2+][C@@H](CC[N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111172680 186365454 /nfs/dbraw/zinc/36/54/54/186365454.db2.gz WSJVNFBNORLTAP-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000111175087 186365909 /nfs/dbraw/zinc/36/59/09/186365909.db2.gz ZLOWDTHXLCDEMW-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP [NH3+]C[C@@]1(C[N@@H+]2CCCc3ccccc3C2)CCCOC1 ZINC000111329302 186399312 /nfs/dbraw/zinc/39/93/12/186399312.db2.gz AGYWEGRXHYPYTQ-QGZVFWFLSA-N 2 0 274.408 2.190 10 0 CEAERP CCOCC[N@H+](CC)C[C@@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111329800 186399567 /nfs/dbraw/zinc/39/95/67/186399567.db2.gz RGYBHAQDVCXBMX-INIZCTEOSA-N 2 0 286.460 2.140 10 0 CEAERP CC[NH2+][C@@H](C)[C@@H]1CCCCN1CCC[NH+]1CCCC1 ZINC000111711938 186449142 /nfs/dbraw/zinc/44/91/42/186449142.db2.gz KGJOQNGTJVKDSJ-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000092634181 539827495 /nfs/dbraw/zinc/82/74/95/539827495.db2.gz RYOPFKOBUZDLIO-HNNXBMFYSA-N 2 0 290.411 2.093 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCCC1CC[NH2+]CC1 ZINC000094440784 539879453 /nfs/dbraw/zinc/87/94/53/539879453.db2.gz VUXXLYGTRUPVBC-NVXWUHKLSA-N 2 0 279.472 2.325 10 0 CEAERP [NH3+]CC[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000575439478 366287037 /nfs/dbraw/zinc/28/70/37/366287037.db2.gz ACQSDZQSDHWVPZ-VIFPVBQESA-N 2 0 263.566 2.451 10 0 CEAERP c1csc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178967651 189157864 /nfs/dbraw/zinc/15/78/64/189157864.db2.gz LHFAGMYXWHAGQO-CYBMUJFWSA-N 2 0 266.410 2.121 10 0 CEAERP C(N[C@H]1CC[NH2+]C1)C1([NH+]2CCCCC2)CCCCC1 ZINC000094074684 364251013 /nfs/dbraw/zinc/25/10/13/364251013.db2.gz VKOPFBLGPICJRP-HNNXBMFYSA-N 2 0 265.445 2.127 10 0 CEAERP [NH3+]C1CCC([NH2+]CCc2cc(F)cc(F)c2)CC1 ZINC000094088790 364252023 /nfs/dbraw/zinc/25/20/23/364252023.db2.gz XABSHRRUVWUNDH-UHFFFAOYSA-N 2 0 254.324 2.367 10 0 CEAERP O[C@@H](C[NH2+][C@@H]1CCC12CCCC2)C[NH+]1CCCCC1 ZINC000189080497 369453215 /nfs/dbraw/zinc/45/32/15/369453215.db2.gz KZZJMBZPOFNDJD-LSDHHAIUSA-N 2 0 266.429 2.146 10 0 CEAERP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc(OC)c1 ZINC000231455779 370478716 /nfs/dbraw/zinc/47/87/16/370478716.db2.gz FPBGSPNQMDLFDB-AWEZNQCLSA-N 2 0 278.396 2.278 10 0 CEAERP COc1ccccc1OCC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231670712 370487420 /nfs/dbraw/zinc/48/74/20/370487420.db2.gz KDQUHZCKHNQIPI-AWEZNQCLSA-N 2 0 278.396 2.148 10 0 CEAERP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261790677 371733533 /nfs/dbraw/zinc/73/35/33/371733533.db2.gz XRYKCXUINUDMQV-RRQGHBQHSA-N 2 0 290.407 2.133 10 0 CEAERP Cn1cc(-c2ccc(CN3CCCC[C@@H]3C[NH3+])s2)cn1 ZINC000261917237 371769160 /nfs/dbraw/zinc/76/91/60/371769160.db2.gz JYQWXWBIRMWGFO-CYBMUJFWSA-N 2 0 290.436 2.462 10 0 CEAERP Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000262048372 371811447 /nfs/dbraw/zinc/81/14/47/371811447.db2.gz QAAUTUQZHOSCGA-PXAZEXFGSA-N 2 0 284.407 2.268 10 0 CEAERP CC[C@@H](C)N(Cc1noc(CN)n1)Cc1ccccc1 ZINC000262116172 371824835 /nfs/dbraw/zinc/82/48/35/371824835.db2.gz BKJHJVGLBCYEQD-GFCCVEGCSA-N 2 0 274.368 2.329 10 0 CEAERP c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000255994445 190000780 /nfs/dbraw/zinc/00/07/80/190000780.db2.gz PIZJBJGCANMPDH-ZBFHGGJFSA-N 2 0 259.397 2.436 10 0 CEAERP C[C@H]([NH2+]CCSCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000564825541 377466092 /nfs/dbraw/zinc/46/60/92/377466092.db2.gz OQVWLLBBINBHIF-VHSXEESVSA-N 2 0 270.364 2.260 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N(C)C[C@H]2CCC[N@@H+]2C)nc1 ZINC000092672781 184620151 /nfs/dbraw/zinc/62/01/51/184620151.db2.gz QWGAMGXXGUVXKG-OAHLLOKOSA-N 2 0 276.428 2.110 10 0 CEAERP CCC[NH2+]CC[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092675978 184620389 /nfs/dbraw/zinc/62/03/89/184620389.db2.gz FVVLYTHDDUAKOW-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP COc1ccc(C[NH+](C)C)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093211931 184656133 /nfs/dbraw/zinc/65/61/33/184656133.db2.gz BWDLVXPGKAODRU-KGLIPLIRSA-N 2 0 277.412 2.439 10 0 CEAERP OC1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000093468819 184680043 /nfs/dbraw/zinc/68/00/43/184680043.db2.gz DVLWFYNSHMZZEK-MTERUZRBSA-N 2 0 266.429 2.190 10 0 CEAERP CC[NH2+][C@@]1(C(N)=O)CCC[C@@H]1CC[N@H+](CC(C)C)C1CC1 ZINC000093590785 184694259 /nfs/dbraw/zinc/69/42/59/184694259.db2.gz SKOYMVFWKNFTCD-PBHICJAKSA-N 2 0 295.471 2.131 10 0 CEAERP CC(C)[NH2+]Cc1cc(OCC(C)(C)[NH+](C)C)ccn1 ZINC000093955416 184745627 /nfs/dbraw/zinc/74/56/27/184745627.db2.gz OQPSLTMCGDWERH-UHFFFAOYSA-N 2 0 265.401 2.299 10 0 CEAERP CC[NH2+]C1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094361399 184789047 /nfs/dbraw/zinc/78/90/47/184789047.db2.gz DTPSSTMYZZMLSD-LSDHHAIUSA-N 2 0 284.469 2.115 10 0 CEAERP CC[NH2+][C@@H](C)c1ccnc(N(C)CC[NH+]2CCCC2)c1 ZINC000094999739 184911815 /nfs/dbraw/zinc/91/18/15/184911815.db2.gz ZSSGPYAMRBMOSE-AWEZNQCLSA-N 2 0 276.428 2.284 10 0 CEAERP C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393432 135068471 /nfs/dbraw/zinc/06/84/71/135068471.db2.gz BDSZXBYGUQENAK-YPMHNXCESA-N 2 0 265.376 2.376 10 0 CEAERP [NH3+][C@H]1CCC[C@@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093551574 135081562 /nfs/dbraw/zinc/08/15/62/135081562.db2.gz SUJFKORTSBVGFC-WBVHZDCISA-N 2 0 273.424 2.326 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444586 135088637 /nfs/dbraw/zinc/08/86/37/135088637.db2.gz TZFLJIUDMAFZIJ-XJKSGUPXSA-N 2 0 291.414 2.390 10 0 CEAERP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000325093527 394550587 /nfs/dbraw/zinc/55/05/87/394550587.db2.gz NEERJCOQEQPTEM-HOTGVXAUSA-N 2 0 268.445 2.392 10 0 CEAERP CO[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000380979622 395170855 /nfs/dbraw/zinc/17/08/55/395170855.db2.gz FWTXHEKDQIXQQP-XUWVNRHRSA-N 2 0 260.381 2.043 10 0 CEAERP CO[C@H](C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000380979625 395171459 /nfs/dbraw/zinc/17/14/59/395171459.db2.gz FWTXHEKDQIXQQP-YHUYYLMFSA-N 2 0 260.381 2.043 10 0 CEAERP C[C@@H]([NH2+]CCCOC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000400429681 287026173 /nfs/dbraw/zinc/02/61/73/287026173.db2.gz ZRPJLWHHCIQWHD-KGLIPLIRSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2ccc(CC)cc2)CC1 ZINC000020179535 171044545 /nfs/dbraw/zinc/04/45/45/171044545.db2.gz HTTVQZJJNCQTSY-KRWDZBQOSA-N 2 0 275.440 2.276 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)CC1 ZINC000020362575 171161558 /nfs/dbraw/zinc/16/15/58/171161558.db2.gz QMGJZTUQCBXKHY-HNNXBMFYSA-N 2 0 279.453 2.046 10 0 CEAERP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCCCCC2)cc1 ZINC000022151452 171358677 /nfs/dbraw/zinc/35/86/77/171358677.db2.gz MMDZDNYCLFYZEH-UHFFFAOYSA-N 2 0 275.396 2.350 10 0 CEAERP CN([C@H](C[NH3+])c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000022162508 171364758 /nfs/dbraw/zinc/36/47/58/171364758.db2.gz QBEHCYWKQFORFC-OAHLLOKOSA-N 2 0 281.831 2.366 10 0 CEAERP CC[NH+]1CCN([C@H](C(C)C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000022566052 171391939 /nfs/dbraw/zinc/39/19/39/171391939.db2.gz NZGHQZYQSJCRKU-IAGOWNOFSA-N 2 0 275.440 2.349 10 0 CEAERP CCOC1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000040678507 174374608 /nfs/dbraw/zinc/37/46/08/174374608.db2.gz PBGPIEAJBFVPHK-GZBFAFLISA-N 2 0 254.418 2.251 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693673 174377413 /nfs/dbraw/zinc/37/74/13/174377413.db2.gz OJVHXTWCODGJGU-GOEBONIOSA-N 2 0 265.445 2.064 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1F ZINC000040749930 174394928 /nfs/dbraw/zinc/39/49/28/174394928.db2.gz BRTKFTOPJDQBEO-YHWZYXNKSA-N 2 0 291.370 2.108 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc(F)cc1 ZINC000040750138 174395032 /nfs/dbraw/zinc/39/50/32/174395032.db2.gz SSWYDRKZJQQKFR-AGUYFDCRSA-N 2 0 264.344 2.159 10 0 CEAERP C[NH+](C)CC1CC[NH+](CCNc2ccccc2)CC1 ZINC000042388513 174705274 /nfs/dbraw/zinc/70/52/74/174705274.db2.gz FIKWHUYCABGPOA-UHFFFAOYSA-N 2 0 261.413 2.372 10 0 CEAERP C[C@@H]1CCCC[C@]1(CN)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392253 174706901 /nfs/dbraw/zinc/70/69/01/174706901.db2.gz CMWUZBNBPOUVNJ-GDBMZVCRSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCC([NH+](C)C)CC1 ZINC000042901522 174906274 /nfs/dbraw/zinc/90/62/74/174906274.db2.gz RWRDRZYKGGIWLN-CJNGLKHVSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CCC(C[NH+](C)C)CC1 ZINC000043045165 174956509 /nfs/dbraw/zinc/95/65/09/174956509.db2.gz LEFPIZCRPUFFGH-SUMWQHHRSA-N 2 0 293.430 2.488 10 0 CEAERP c1cc(N[C@@H]2CCC[NH2+]C2)ccc1C[NH+]1CCCC1 ZINC000043326091 175007500 /nfs/dbraw/zinc/00/75/00/175007500.db2.gz DAMUMOJFFIANPY-MRXNPFEDSA-N 2 0 259.397 2.446 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N(C)C1CC[NH+](CC)CC1 ZINC000043341066 175015176 /nfs/dbraw/zinc/01/51/76/175015176.db2.gz SJIKMBFPUDCXDF-DOTOQJQBSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347517 175018031 /nfs/dbraw/zinc/01/80/31/175018031.db2.gz CGTXGVFQUKOJMJ-CVEARBPZSA-N 2 0 290.455 2.276 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815319 175112452 /nfs/dbraw/zinc/11/24/52/175112452.db2.gz RSVGLVYQCDZKDY-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818349 175113458 /nfs/dbraw/zinc/11/34/58/175113458.db2.gz HZUPZQCOKAWVJQ-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[N@H+](C)CC1 ZINC000043818570 175113773 /nfs/dbraw/zinc/11/37/73/175113773.db2.gz APBRFWDMSNIVBF-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897335 175120134 /nfs/dbraw/zinc/12/01/34/175120134.db2.gz JAEIPMXVYZGTSF-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897413 175120734 /nfs/dbraw/zinc/12/07/34/175120734.db2.gz GPZYMVMSFHLAMY-BPUTZDHNSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1C ZINC000043967563 175128404 /nfs/dbraw/zinc/12/84/04/175128404.db2.gz YWZJGZIWSFXECV-KRWDZBQOSA-N 2 0 273.424 2.036 10 0 CEAERP C[NH2+][C@@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000043970538 175131303 /nfs/dbraw/zinc/13/13/03/175131303.db2.gz IJMXKGPJHUZLIE-KRWDZBQOSA-N 2 0 275.440 2.221 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(CC)(CC)C[NH3+] ZINC000044762225 175246431 /nfs/dbraw/zinc/24/64/31/175246431.db2.gz KDFQPSCLZUTYDG-CQSZACIVSA-N 2 0 285.476 2.378 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044793702 175254376 /nfs/dbraw/zinc/25/43/76/175254376.db2.gz GOUHXARKHGEPAU-UHFFFAOYSA-N 2 0 283.460 2.084 10 0 CEAERP C[C@@H](Cn1c(N)[nH+]c2cccc(Cl)c21)[NH+](C)C ZINC000045108622 175309066 /nfs/dbraw/zinc/30/90/66/175309066.db2.gz NSWGJGYTKVDLJX-QMMMGPOBSA-N 2 0 252.749 2.222 10 0 CEAERP CCC[NH+](CCC)CCCC[C@@](C)([NH2+]C1CC1)C(N)=O ZINC000045378561 175367376 /nfs/dbraw/zinc/36/73/76/175367376.db2.gz QKIUDAQHWDZRAX-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC(C)[NH2+][C@@](C)(CCCC[N@H+](C)C1CCCC1)C(N)=O ZINC000045384737 175371853 /nfs/dbraw/zinc/37/18/53/175371853.db2.gz HPBNAQRRKAGHSM-INIZCTEOSA-N 2 0 283.460 2.273 10 0 CEAERP CCCCC[N@H+](C)CCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045388178 175373718 /nfs/dbraw/zinc/37/37/18/175373718.db2.gz VSCMOPHIKIWMIG-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CCC(CC)[N@H+](C)CCCC[C@@](C)([NH3+])C(=O)OC ZINC000045391393 175374690 /nfs/dbraw/zinc/37/46/90/175374690.db2.gz JUKYKZIZYNABPI-CQSZACIVSA-N 2 0 258.406 2.168 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045421013 175379917 /nfs/dbraw/zinc/37/99/17/175379917.db2.gz FZQDMYBAVFVDKZ-FZMZJTMJSA-N 2 0 258.406 2.023 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2CCCCC[C@@H]2C)O1 ZINC000070413120 175915403 /nfs/dbraw/zinc/91/54/03/175915403.db2.gz OTSBBFCOUVFFFJ-SOUVJXGZSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H]1CCC[C@@H]([N@@H+]2CCCN(CCCC[NH3+])CC2)C1 ZINC000071147423 176043181 /nfs/dbraw/zinc/04/31/81/176043181.db2.gz MALFUXHMXQYHQQ-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1c(C[NH3+])cnc2ccccc21 ZINC000071187565 176060649 /nfs/dbraw/zinc/06/06/49/176060649.db2.gz HQIRLIAFEOCGSW-CYBMUJFWSA-N 3 0 284.407 2.081 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187856 176062142 /nfs/dbraw/zinc/06/21/42/176062142.db2.gz LAOXRNIQUHAMMB-XOKHGSTOSA-N 2 0 293.430 2.488 10 0 CEAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1cc(C)ccc1C ZINC000071188856 176063298 /nfs/dbraw/zinc/06/32/98/176063298.db2.gz OFNFCGNIVLKMDC-SJLPKXTDSA-N 2 0 289.467 2.447 10 0 CEAERP CC[C@H](C)C[C@](CC)(C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188597 176063370 /nfs/dbraw/zinc/06/33/70/176063370.db2.gz MGXOSEADHSRVPY-ARFHVFGLSA-N 2 0 269.477 2.414 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188582 176063927 /nfs/dbraw/zinc/06/39/27/176063927.db2.gz WNXOOXYZJWDQHR-INMHGKMJSA-N 2 0 281.488 2.414 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189003 176064213 /nfs/dbraw/zinc/06/42/13/176064213.db2.gz JZKBBHAOMRZYLG-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H](CC)[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189033 176064350 /nfs/dbraw/zinc/06/43/50/176064350.db2.gz XJVYHMZVWPYBHQ-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189005 176064390 /nfs/dbraw/zinc/06/43/90/176064390.db2.gz SHDZSXLJPIVJBK-XUWVNRHRSA-N 2 0 267.461 2.037 10 0 CEAERP C[NH2+]C[C@@](C)(CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191461 176069271 /nfs/dbraw/zinc/06/92/71/176069271.db2.gz XZDMPOQPDXJKGX-AEFFLSMTSA-N 2 0 289.467 2.047 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191382 176070468 /nfs/dbraw/zinc/07/04/68/176070468.db2.gz YSZJRHVRDJCJBL-IXDOHACOSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191521 176070759 /nfs/dbraw/zinc/07/07/59/176070759.db2.gz ISUNJKUNQHSVJA-HNNXBMFYSA-N 2 0 269.477 2.286 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071191829 176071156 /nfs/dbraw/zinc/07/11/56/176071156.db2.gz DHLFXXQPZYNNEE-AWEZNQCLSA-N 2 0 279.428 2.161 10 0 CEAERP CCC[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191956 176072592 /nfs/dbraw/zinc/07/25/92/176072592.db2.gz INAPYWHKQHZLCV-CQSZACIVSA-N 2 0 279.428 2.163 10 0 CEAERP CC(C)C[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192088 176073992 /nfs/dbraw/zinc/07/39/92/176073992.db2.gz NGWBNXAXSHRLKX-OAHLLOKOSA-N 2 0 293.455 2.409 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C2CC2)C1 ZINC000071200592 176077717 /nfs/dbraw/zinc/07/77/17/176077717.db2.gz PYPZMYBZPXFYDP-JKSUJKDBSA-N 2 0 267.461 2.179 10 0 CEAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000071257575 176095986 /nfs/dbraw/zinc/09/59/86/176095986.db2.gz FNZBOYVSWYGKSY-UHFFFAOYSA-N 2 0 288.435 2.499 10 0 CEAERP CC[NH2+]CCCCCC[NH+]1CCN(C(C)C)CC1 ZINC000071288096 176110424 /nfs/dbraw/zinc/11/04/24/176110424.db2.gz UFBYYVGBOCNUBU-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[NH2+]CCCCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000071288928 176110809 /nfs/dbraw/zinc/11/08/09/176110809.db2.gz VEOYJHLIRMLSEK-UHFFFAOYSA-N 3 0 255.450 2.040 10 0 CEAERP C[C@H](NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH+](C)C1 ZINC000071376853 176142242 /nfs/dbraw/zinc/14/22/42/176142242.db2.gz FEMKWNATRUSSSD-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](C[NH3+])CN1CCC[N@@H+]([C@@H](C)c2ccccc2)CC1 ZINC000078626748 177362068 /nfs/dbraw/zinc/36/20/68/177362068.db2.gz DISHNCSTYNJPTM-CVEARBPZSA-N 2 0 275.440 2.350 10 0 CEAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000180519219 260104326 /nfs/dbraw/zinc/10/43/26/260104326.db2.gz XMGASPKTPBLSAF-MGPQQGTHSA-N 2 0 299.459 2.362 10 0 CEAERP C1CCC2(C1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCO[C@@H]12 ZINC000423021597 270821897 /nfs/dbraw/zinc/82/18/97/270821897.db2.gz CLIQTDUMWUUKPR-TUVASFSCSA-N 2 0 264.413 2.066 10 0 CEAERP C[C@@]1(C[NH2+][C@H]2CCC(=O)Nc3ccccc32)CCC[NH2+]C1 ZINC000333296847 279162875 /nfs/dbraw/zinc/16/28/75/279162875.db2.gz PLBKORRCFHFEJT-WMLDXEAASA-N 2 0 287.407 2.439 10 0 CEAERP CC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000120484541 280094384 /nfs/dbraw/zinc/09/43/84/280094384.db2.gz LBBPPFBSUQMDCR-ZIAGYGMSSA-N 2 0 256.434 2.057 10 0 CEAERP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000245660983 280255411 /nfs/dbraw/zinc/25/54/11/280255411.db2.gz FPOCOMUCQRAIGJ-BZUAXINKSA-N 2 0 268.445 2.392 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000093516684 289727115 /nfs/dbraw/zinc/72/71/15/289727115.db2.gz NGRWTRQMYXQXEW-UGUYLWEFSA-N 2 0 268.445 2.438 10 0 CEAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@H]1CCC[NH2+]C1 ZINC000576268518 314257772 /nfs/dbraw/zinc/25/77/72/314257772.db2.gz CKDOCIHRWFGVOE-RFBLXINOSA-N 2 0 278.440 2.312 10 0 CEAERP CC(C)[N@H+](Cc1cccs1)CC1(O)CC[NH2+]CC1 ZINC000051016309 519661811 /nfs/dbraw/zinc/66/18/11/519661811.db2.gz NTGPYTKSCZLCHU-UHFFFAOYSA-N 2 0 268.426 2.073 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161487 519715627 /nfs/dbraw/zinc/71/56/27/519715627.db2.gz MHGNNVKGJPQCQP-JKSUJKDBSA-N 2 0 297.487 2.188 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccccc2[C@@H](C)[NH3+])CC1 ZINC000055079751 519729266 /nfs/dbraw/zinc/72/92/66/519729266.db2.gz WHCQGJSNJBILBR-CQSZACIVSA-N 2 0 261.413 2.484 10 0 CEAERP CC[NH2+]Cc1coc(C[N@H+](CC)[C@@H](C)COC)c1 ZINC000052504905 520017789 /nfs/dbraw/zinc/01/77/89/520017789.db2.gz CGQMMFHJZLBLEO-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000054554517 520123165 /nfs/dbraw/zinc/12/31/65/520123165.db2.gz IXHORHZGTFOQOP-BBWFWOEESA-N 2 0 281.488 2.427 10 0 CEAERP CCCO[C@H]1CCC[N@H+](C[C@@H](C)C[NH2+]C2CC2)C1 ZINC000052371522 520284949 /nfs/dbraw/zinc/28/49/49/520284949.db2.gz XTBIWEMGAIITIN-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[N@H+](CCOc1cccc(C[NH2+]C)c1)[C@@H](C)COC ZINC000052504859 521149806 /nfs/dbraw/zinc/14/98/06/521149806.db2.gz QVAPUTKXMVLTOG-AWEZNQCLSA-N 2 0 280.412 2.142 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCCCC1 ZINC000054602463 521952790 /nfs/dbraw/zinc/95/27/90/521952790.db2.gz JOHHWCVXCGKWPM-MQVJKMGUSA-N 2 0 265.445 2.077 10 0 CEAERP C[NH2+]CC1(C[NH+]2CCCCCCC2)CCOCC1 ZINC000052181109 521969618 /nfs/dbraw/zinc/96/96/18/521969618.db2.gz AEHIHEZGIQXINR-UHFFFAOYSA-N 2 0 254.418 2.269 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC2(C[NH2+]C)CCCC2)CC1 ZINC000055071948 522117132 /nfs/dbraw/zinc/11/71/32/522117132.db2.gz PJGWWRXVTKVZGM-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+][C@@H](C)c1cnc(N(CC[NH+](C)C)CC(C)C)s1 ZINC000054906372 522336965 /nfs/dbraw/zinc/33/69/65/522336965.db2.gz TYCFTUQWLQNRIM-LBPRGKRZSA-N 2 0 284.473 2.448 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078806 522376705 /nfs/dbraw/zinc/37/67/05/522376705.db2.gz GAXZBPMXMXSNGR-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]([NH2+]CCCN(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400759714 533846249 /nfs/dbraw/zinc/84/62/49/533846249.db2.gz XWIDIQQLIOTCST-LSDHHAIUSA-N 2 0 261.413 2.101 10 0 CEAERP CC(C)(C)[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054898197 518712251 /nfs/dbraw/zinc/71/22/51/518712251.db2.gz PRHIEPIFMSNYGK-LLVKDONJSA-N 2 0 294.468 2.400 10 0 CEAERP CC(C)(C)[NH2+]Cc1nccn1CCC[NH+]1CCCC1 ZINC000051015334 518768380 /nfs/dbraw/zinc/76/83/80/518768380.db2.gz MNTFGNZSHWVOLE-UHFFFAOYSA-N 2 0 264.417 2.257 10 0 CEAERP CC(C)(C[NH2+]C1CC1)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763382 519265291 /nfs/dbraw/zinc/26/52/91/519265291.db2.gz IGCBOXUHYHMDPI-AWEZNQCLSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[N@H+](CCCOc1ccccc1)CCC(N)=[NH2+] ZINC000061815885 519645080 /nfs/dbraw/zinc/64/50/80/519645080.db2.gz ANMBMRGEXXONDP-UHFFFAOYSA-N 2 0 263.385 2.492 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](CC[NH3+])C1 ZINC000055161489 519716285 /nfs/dbraw/zinc/71/62/85/519716285.db2.gz MHGNNVKGJPQCQP-HOTGVXAUSA-N 2 0 297.487 2.188 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456877 519723555 /nfs/dbraw/zinc/72/35/55/519723555.db2.gz LGHMTYUDOLJAJZ-ZFWWWQNUSA-N 2 0 266.385 2.257 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382055 519725694 /nfs/dbraw/zinc/72/56/94/519725694.db2.gz CQTXKDXMSPDKSO-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)C[NH+]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055083049 519725925 /nfs/dbraw/zinc/72/59/25/519725925.db2.gz MKLFEWAOUJYANZ-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)[NH2+]Cc1ccc(CN2CCC[C@H]2C[NH+](C)C)o1 ZINC000061654492 519726720 /nfs/dbraw/zinc/72/67/20/519726720.db2.gz MWGLSDRTIVAYTJ-AWEZNQCLSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477513 519744662 /nfs/dbraw/zinc/74/46/62/519744662.db2.gz IFYNINLWVUHRER-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)C[NH2+]Cc1cnc(N(C)[C@H]2CCC[N@H+](C)C2)s1 ZINC000054905589 519748543 /nfs/dbraw/zinc/74/85/43/519748543.db2.gz BWGAGBYEGYBZTN-ZDUSSCGKSA-N 2 0 296.484 2.419 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052205969 519814344 /nfs/dbraw/zinc/81/43/44/519814344.db2.gz RIQSVBVMTPUGLX-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCN(c2nc(C3CC3)c(C[NH3+])s2)CC1 ZINC000069146554 519860667 /nfs/dbraw/zinc/86/06/67/519860667.db2.gz DZUOSJUQWXFUOK-UHFFFAOYSA-N 2 0 280.441 2.011 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055071230 519884874 /nfs/dbraw/zinc/88/48/74/519884874.db2.gz SWLKZPVVVSDDDK-HNNXBMFYSA-N 2 0 297.487 2.474 10 0 CEAERP CC[NH2+]CCCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074419 519919316 /nfs/dbraw/zinc/91/93/16/519919316.db2.gz FUWKIKMMLDEVIQ-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]Cc1ccc(C[N@H+](C)[C@@H](C)COC)o1 ZINC000052511501 519947358 /nfs/dbraw/zinc/94/73/58/519947358.db2.gz LLUKOGFNQDSEJX-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]C[C@H](C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503243 519958364 /nfs/dbraw/zinc/95/83/64/519958364.db2.gz KNGZUPWERIRZFW-OAHLLOKOSA-N 2 0 257.466 2.140 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](CCCOC)CCOC)c1 ZINC000052543271 519965155 /nfs/dbraw/zinc/96/51/55/519965155.db2.gz USTFKHVGULLWQO-UHFFFAOYSA-N 2 0 298.427 2.264 10 0 CEAERP CC[NH2+]C[C@H](CC)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484174 519971458 /nfs/dbraw/zinc/97/14/58/519971458.db2.gz ALGDNPXRUQWSMF-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]Cc1oc(COCC[NH+](C)C)cc1C ZINC000052669980 519973807 /nfs/dbraw/zinc/97/38/07/519973807.db2.gz GKMLIRQEWYBKCO-UHFFFAOYSA-N 2 0 254.374 2.166 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)C(CC)CC)O1 ZINC000052573392 519977136 /nfs/dbraw/zinc/97/71/36/519977136.db2.gz LRXLVFMLCNDZGI-CVEARBPZSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H]2CN(C)C)cc1 ZINC000061654571 519995239 /nfs/dbraw/zinc/99/52/39/519995239.db2.gz JMDJEKLYTOCZTI-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081868 520022397 /nfs/dbraw/zinc/02/23/97/520022397.db2.gz RICBKRGGFQXQKJ-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643713 520117476 /nfs/dbraw/zinc/11/74/76/520117476.db2.gz RKWYIAHQZYGMPY-OAGGEKHMSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1[nH]cnc1C ZINC000054793735 520637159 /nfs/dbraw/zinc/63/71/59/520637159.db2.gz KXKAEEMCYZIWHC-LBPRGKRZSA-N 2 0 252.406 2.318 10 0 CEAERP CC[NH+](CC)CCOc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000068798292 520695952 /nfs/dbraw/zinc/69/59/52/520695952.db2.gz BKNKUQJGJLWWBO-UHFFFAOYSA-N 2 0 286.379 2.239 10 0 CEAERP CC[NH+](CC)C[C@H](C)N1[C@@H]2CCC[C@H]1CC([NH2+]C)C2 ZINC000054602675 520727932 /nfs/dbraw/zinc/72/79/32/520727932.db2.gz NZHTYVACNCPPOK-HNSVSWJLSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[C@H](C)[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075991 521060875 /nfs/dbraw/zinc/06/08/75/521060875.db2.gz BJDDWSLCICBJAI-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401703 521112651 /nfs/dbraw/zinc/11/26/51/521112651.db2.gz HNHSDAUXKXXDEH-CYBMUJFWSA-N 2 0 294.370 2.060 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C)oc1C)[C@@H](C)COC ZINC000052505049 521289306 /nfs/dbraw/zinc/28/93/06/521289306.db2.gz WXNIIOYZVNIAJK-NSHDSACASA-N 2 0 254.374 2.164 10 0 CEAERP CCC(C)(C)[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075895 521352841 /nfs/dbraw/zinc/35/28/41/521352841.db2.gz NXEUPKGTCNICEB-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCCc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH2+]C ZINC000061655613 521532205 /nfs/dbraw/zinc/53/22/05/521532205.db2.gz HUHUWBSVDMUQOW-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2ccc(C[NH2+]C3CC3)o2)CC1 ZINC000052543996 521563324 /nfs/dbraw/zinc/56/33/24/521563324.db2.gz TYLKORTYFKKFKG-UHFFFAOYSA-N 2 0 291.439 2.448 10 0 CEAERP CCC(CC)[C@@H](C[NH3+])N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055064560 521603061 /nfs/dbraw/zinc/60/30/61/521603061.db2.gz GSMYPNUJMMXGGU-DZGCQCFKSA-N 2 0 255.450 2.166 10 0 CEAERP CCC1(C)CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C)O2)CC1 ZINC000062957894 521678211 /nfs/dbraw/zinc/67/82/11/521678211.db2.gz AYCZTEXGFXMFNG-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]C1CCCCCC1 ZINC000061655121 521837415 /nfs/dbraw/zinc/83/74/15/521837415.db2.gz IVVORPIMUDRCSQ-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1nc(C[NH3+])cc2ccccc21 ZINC000061654339 521877043 /nfs/dbraw/zinc/87/70/43/521877043.db2.gz GNTHHFHFLHJDRY-OAHLLOKOSA-N 2 0 284.407 2.224 10 0 CEAERP CCc1ccccc1[C@H](C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000052203739 521954206 /nfs/dbraw/zinc/95/42/06/521954206.db2.gz WKBIUWNNWGMSGJ-KRWDZBQOSA-N 2 0 273.424 2.029 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)CC2CCCCC2)O1 ZINC000052346818 522094150 /nfs/dbraw/zinc/09/41/50/522094150.db2.gz KOLHIUHAQCKLEN-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](C)Cc2ccccn2)c1 ZINC000052478778 522127269 /nfs/dbraw/zinc/12/72/69/522127269.db2.gz NNSWPXHLWJFEIG-UHFFFAOYSA-N 2 0 255.365 2.433 10 0 CEAERP CC[C@H](CC[NH3+])[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC000051040747 522129018 /nfs/dbraw/zinc/12/90/18/522129018.db2.gz JNDGMIUZLVWANR-OAHLLOKOSA-N 2 0 276.428 2.030 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065446 522129146 /nfs/dbraw/zinc/12/91/46/522129146.db2.gz BOWQDNGYTCZGFW-XYPHTWIQSA-N 2 0 273.424 2.027 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063633 522129695 /nfs/dbraw/zinc/12/96/95/522129695.db2.gz BUHNIYGRUPGKJQ-PBHICJAKSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)c(F)c2)CC1 ZINC000055064818 522129770 /nfs/dbraw/zinc/12/97/70/522129770.db2.gz RYRTUFCUCVWKBG-WBMJQRKESA-N 2 0 297.393 2.381 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1occc1C[NH2+]C(C)C ZINC000052511446 522218524 /nfs/dbraw/zinc/21/85/24/522218524.db2.gz KSOFFHIVSMHWMS-GFCCVEGCSA-N 2 0 254.374 2.244 10 0 CEAERP CC[C@H]([NH3+])[C@H](N1CC[NH+](CC(C)C)CC1)C(C)(C)C ZINC000055077216 522341284 /nfs/dbraw/zinc/34/12/84/522341284.db2.gz LWCDITSLKIXXMO-GJZGRUSLSA-N 2 0 269.477 2.412 10 0 CEAERP CCc1nc(N(CC[NH+](C)C)CC(C)C)sc1C[NH2+]C ZINC000054998604 522383557 /nfs/dbraw/zinc/38/35/57/522383557.db2.gz VQHASPKSXGNVGB-UHFFFAOYSA-N 2 0 298.500 2.449 10 0 CEAERP CC[C@@H](CC[NH3+])N1CCC[N@H+](CC2CCCC2)CC1 ZINC000048732579 522496610 /nfs/dbraw/zinc/49/66/10/522496610.db2.gz BXJAVKHWGXDMEV-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N3CCC([NH+](C)C)CC3)sc21 ZINC000054903738 522499629 /nfs/dbraw/zinc/49/96/29/522499629.db2.gz HLGCRIDBJLQJTG-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP COC[C@H](C)[N@H+](C)CCOc1ccccc1C[NH2+]C1CC1 ZINC000052511631 522592430 /nfs/dbraw/zinc/59/24/30/522592430.db2.gz GQQWBHIADJZSOZ-AWEZNQCLSA-N 2 0 292.423 2.284 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@@H](C[NH3+])c1cc2ccccc2o1 ZINC000068812019 522828813 /nfs/dbraw/zinc/82/88/13/522828813.db2.gz LMFWGTBMJUTJHL-HNNXBMFYSA-N 2 0 287.407 2.460 10 0 CEAERP CC[C@H]1CC[C@H](C[NH3+])[C@H]([N@@H+]2CCC[C@@H]2CN(C)C)C1 ZINC000061642539 523206740 /nfs/dbraw/zinc/20/67/40/523206740.db2.gz USWSIGFDDOHJFA-ZJIFWQFVSA-N 2 0 267.461 2.166 10 0 CEAERP CN(c1nc2c(s1)[C@H]([NH3+])CCC2)[C@@H]1CCC[N@H+](C)C1 ZINC000054896333 523667224 /nfs/dbraw/zinc/66/72/24/523667224.db2.gz OGUHKYGIFHXAQV-GHMZBOCLSA-N 2 0 280.441 2.010 10 0 CEAERP COCC[N@H+](CCCCC[NH2+]C(C)C)[C@@H](C)COC ZINC000052572415 523694567 /nfs/dbraw/zinc/69/45/67/523694567.db2.gz CNNWTBSCHLVKAI-HNNXBMFYSA-N 2 0 274.449 2.138 10 0 CEAERP C[N@@H+]1CCCN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC1 ZINC000052424198 523809940 /nfs/dbraw/zinc/80/99/40/523809940.db2.gz MXIKYCVTASTVIG-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[NH+]1CCN([C@@H](C[NH2+]C(C)(C)C)c2ccccc2)CC1 ZINC000052379609 523918777 /nfs/dbraw/zinc/91/87/77/523918777.db2.gz WHRVZXYVEFSFMB-INIZCTEOSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH+](C)C1CCN(c2ccc(Cl)cc2C(N)=[NH2+])CC1 ZINC000052860063 524040962 /nfs/dbraw/zinc/04/09/62/524040962.db2.gz BIGJWRNALLHEJO-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[NH+](C)CC1CC[NH+]([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023305 524049816 /nfs/dbraw/zinc/04/98/16/524049816.db2.gz SEHRGNKIMKQCHJ-MRXNPFEDSA-N 3 0 288.439 2.327 10 0 CEAERP Cc1ccc(C[NH2+]CCN2CCC(C[NH+](C)C)CC2)s1 ZINC000053428369 524575155 /nfs/dbraw/zinc/57/51/55/524575155.db2.gz RCYABHNUHQZJST-UHFFFAOYSA-N 2 0 295.496 2.420 10 0 CEAERP C[C@H]1C[N@H+](CCC[C@@H]2CCCC[NH2+]2)CC(C)(C)O1 ZINC000050954128 524595176 /nfs/dbraw/zinc/59/51/76/524595176.db2.gz WEOWSVAHMZCDOF-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)NCC[C@@H]1CCCC[N@@H+]1C ZINC000052205999 524605013 /nfs/dbraw/zinc/60/50/13/524605013.db2.gz QBWFBTIETZPQRR-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@@H](C[NH2+]C[C@H](O)c1cccs1)C[NH+]1CCCC1 ZINC000062071592 524740421 /nfs/dbraw/zinc/74/04/21/524740421.db2.gz GQCYTWOGUMWKBJ-STQMWFEESA-N 2 0 268.426 2.103 10 0 CEAERP C[C@H]([NH3+])c1cnc(N2CC[NH+](C(C)(C)C)CC2)s1 ZINC000054898202 524869563 /nfs/dbraw/zinc/86/95/63/524869563.db2.gz JEPFYVHQKLUWDZ-JTQLQIEISA-N 2 0 268.430 2.083 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1C ZINC000061642822 524878973 /nfs/dbraw/zinc/87/89/73/524878973.db2.gz OWPUDKQQMIRTCZ-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000049189687 525029470 /nfs/dbraw/zinc/02/94/70/525029470.db2.gz WOSSZXIXGWROND-QWHCGFSZSA-N 2 0 290.411 2.312 10 0 CEAERP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)o1 ZINC000063051239 525509268 /nfs/dbraw/zinc/50/92/68/525509268.db2.gz YKTCURJOCNYZGO-RBSFLKMASA-N 2 0 291.439 2.430 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)ccc1F ZINC000062978402 525536344 /nfs/dbraw/zinc/53/63/44/525536344.db2.gz BUSFELXOTRGSSY-RDJZCZTQSA-N 2 0 291.414 2.304 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000062979147 525766166 /nfs/dbraw/zinc/76/61/66/525766166.db2.gz LLDVWRNUTKLSKK-IRXDYDNUSA-N 2 0 273.424 2.165 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)o1 ZINC000061641990 525977763 /nfs/dbraw/zinc/97/77/63/525977763.db2.gz WHARCSLXQPYNEM-NFAWXSAZSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641914 525980163 /nfs/dbraw/zinc/98/01/63/525980163.db2.gz KZQZKWCBCAFNKA-UAGQMJEPSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052378863 526249965 /nfs/dbraw/zinc/24/99/65/526249965.db2.gz ANWFPBVTIWYHBM-ZDUSSCGKSA-N 2 0 279.432 2.041 10 0 CEAERP c1cc(C[NH2+]C2CC2)cc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000052371289 526427339 /nfs/dbraw/zinc/42/73/39/526427339.db2.gz PJMQNZUQJSRXKO-UHFFFAOYSA-N 2 0 285.435 2.219 10 0 CEAERP c1ccc([C@H](C[NH2+]C2CC2)N2CC[NH+](C3CC3)CC2)cc1 ZINC000052371433 526495815 /nfs/dbraw/zinc/49/58/15/526495815.db2.gz ZYZAHGWDDYBKCF-SFHVURJKSA-N 2 0 285.435 2.260 10 0 CEAERP [NH3+]CCCN(CCC[NH+]1CCCC1)C1CCCC1 ZINC000049332089 527178349 /nfs/dbraw/zinc/17/83/49/527178349.db2.gz IVXVTSCHGLUHHQ-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP CC(C)[C@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000087535203 534990643 /nfs/dbraw/zinc/99/06/43/534990643.db2.gz CQDBIQJWVTXUHR-CQSZACIVSA-N 2 0 279.403 2.179 10 0 CEAERP CCOC(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000093447437 535738466 /nfs/dbraw/zinc/73/84/66/535738466.db2.gz PYKMGXXITGWMIE-UHFFFAOYSA-N 2 0 293.411 2.039 10 0 CEAERP CC(C)(C)[C@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757140407 622874723 /nfs/dbraw/zinc/87/47/23/622874723.db2.gz LXQSXQRKUPXCDA-CYBMUJFWSA-N 2 0 252.402 2.366 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3)C[C@H]12 ZINC000261606182 623394442 /nfs/dbraw/zinc/39/44/42/623394442.db2.gz RMCHZKLPJIECOG-BYCMXARLSA-N 2 0 280.799 2.388 10 0 CEAERP Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000129170664 651858338 /nfs/dbraw/zinc/85/83/38/651858338.db2.gz AGOPKOXJQWRZMM-CABCVRRESA-N 2 0 262.397 2.494 10 0 CEAERP C[NH+](C)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253290963 282085409 /nfs/dbraw/zinc/08/54/09/282085409.db2.gz QFGHRDQWBRVIGB-BZUAXINKSA-N 2 0 268.445 2.344 10 0 CEAERP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000036961237 361875250 /nfs/dbraw/zinc/87/52/50/361875250.db2.gz XJXYXKVMIPWOFT-CJNGLKHVSA-N 2 0 275.396 2.208 10 0 CEAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694323 361995710 /nfs/dbraw/zinc/99/57/10/361995710.db2.gz YKKZNQFUGPKJAF-JKSUJKDBSA-N 2 0 266.429 2.240 10 0 CEAERP CCN1CCC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000040502605 361996061 /nfs/dbraw/zinc/99/60/61/361996061.db2.gz IMXXKKMAMHGHFX-INIZCTEOSA-N 2 0 288.439 2.124 10 0 CEAERP CCCN1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725265969 539213470 /nfs/dbraw/zinc/21/34/70/539213470.db2.gz FVOBZVWNMPZDBE-LBPRGKRZSA-N 2 0 253.434 2.109 10 0 CEAERP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000037017297 343425460 /nfs/dbraw/zinc/42/54/60/343425460.db2.gz XOPPNHNPIYEADD-HNNXBMFYSA-N 2 0 275.396 2.348 10 0 CEAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC(C)(C)O ZINC000072868471 343813629 /nfs/dbraw/zinc/81/36/29/343813629.db2.gz VKBLCBBEAZYBTR-INIZCTEOSA-N 2 0 276.424 2.211 10 0 CEAERP CCC[N@H+](CCCC[NH3+])[C@H]1COc2cccc(OC)c2C1 ZINC000095831759 344237467 /nfs/dbraw/zinc/23/74/67/344237467.db2.gz ASKCPGCSHZDHDQ-CQSZACIVSA-N 2 0 292.423 2.450 10 0 CEAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CCO)C2)CC(C)(C)C1 ZINC000384331189 344828483 /nfs/dbraw/zinc/82/84/83/344828483.db2.gz ADKHKFCDPMGWCE-QLFBSQMISA-N 2 0 268.445 2.248 10 0 CEAERP CC(C)COc1cccc(C[N@@H+]2CC[C@H](C(=[NH2+])NO)C2)c1 ZINC000584633983 344970371 /nfs/dbraw/zinc/97/03/71/344970371.db2.gz UZUGGTNBMYWFPV-AWEZNQCLSA-N 2 0 291.395 2.499 10 0 CEAERP C[NH2+]CCc1ccc(COCC(C)(C)[NH+](C)C)cc1 ZINC000097811250 185670419 /nfs/dbraw/zinc/67/04/19/185670419.db2.gz WAAGXPUDFFGUHG-UHFFFAOYSA-N 2 0 264.413 2.305 10 0 CEAERP CC(C)c1nc2c(n1CCC[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572296 179097628 /nfs/dbraw/zinc/09/76/28/179097628.db2.gz PNTBTPUGSNRINQ-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP CC[NH+](CC)C[C@@H](C)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573192 179097897 /nfs/dbraw/zinc/09/78/97/179097897.db2.gz HWCLORBVIPDTJD-GFCCVEGCSA-N 2 0 276.428 2.309 10 0 CEAERP C[C@@H]1CC[NH2+][C@](C)(C2CC2)C[N@@H+]1C[C@@H]1CCCCO1 ZINC000085623749 179106930 /nfs/dbraw/zinc/10/69/30/179106930.db2.gz ULGMVSAUZLESPU-KBMXLJTQSA-N 2 0 266.429 2.408 10 0 CEAERP CCC1(CC)C[N@H+](CCn2cccn2)[C@H](C)CC[NH2+]1 ZINC000085627955 179107044 /nfs/dbraw/zinc/10/70/44/179107044.db2.gz NFDILIRLWGLVHR-CQSZACIVSA-N 2 0 264.417 2.126 10 0 CEAERP CC(C)Cc1nc2c(n1CCCC[NH+](C)C)CC[NH2+]C2 ZINC000085572968 179098057 /nfs/dbraw/zinc/09/80/57/179098057.db2.gz VUQDCYXQZANTEX-UHFFFAOYSA-N 2 0 278.444 2.069 10 0 CEAERP CC(C)Cc1nc2c(n1[C@@H](C)CC[NH+](C)C)CC[NH2+]C2 ZINC000085573461 179098535 /nfs/dbraw/zinc/09/85/35/179098535.db2.gz QNQONCMWPKIOCY-ZDUSSCGKSA-N 2 0 278.444 2.240 10 0 CEAERP c1cn(CCC[N@@H+]2CCC[NH2+]C3(CCCCC3)C2)cn1 ZINC000085610342 179101450 /nfs/dbraw/zinc/10/14/50/179101450.db2.gz AECXPOCTXCYJTC-UHFFFAOYSA-N 2 0 276.428 2.271 10 0 CEAERP CC1(C)C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085611695 179102080 /nfs/dbraw/zinc/10/20/80/179102080.db2.gz SSRXFCAWSRKIEG-UHFFFAOYSA-N 2 0 268.323 2.029 10 0 CEAERP CC(C)OCC[N@@H+]1C[C@@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623471 179105445 /nfs/dbraw/zinc/10/54/45/179105445.db2.gz XEYGQQCRCXUMJF-ZFWWWQNUSA-N 2 0 254.418 2.264 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623132 179105623 /nfs/dbraw/zinc/10/56/23/179105623.db2.gz BHIYBFRBLOVXLM-HNNXBMFYSA-N 2 0 276.428 2.270 10 0 CEAERP CC(C)OCC[N@@H+]1C[C@](C)(C2CC2)[NH2+]CC[C@@H]1C ZINC000085623468 179105758 /nfs/dbraw/zinc/10/57/58/179105758.db2.gz XEYGQQCRCXUMJF-DZGCQCFKSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000085675751 179112635 /nfs/dbraw/zinc/11/26/35/179112635.db2.gz PYLTVBOGAUZGPB-ILXRZTDVSA-N 2 0 266.429 2.121 10 0 CEAERP CC[C@](C[NH3+])(C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000086120651 179234884 /nfs/dbraw/zinc/23/48/84/179234884.db2.gz PVZHDCOZPOIHRP-INIZCTEOSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086173854 179244868 /nfs/dbraw/zinc/24/48/68/179244868.db2.gz JKPYZRJOSJDJCD-IXDOHACOSA-N 2 0 279.472 2.178 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](C(C)C)CN1[C@@H]1CCC[N@H+](CC)C1 ZINC000086172524 179244880 /nfs/dbraw/zinc/24/48/80/179244880.db2.gz QGASANBRWDEDOY-ARFHVFGLSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C2CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182592 179248123 /nfs/dbraw/zinc/24/81/23/179248123.db2.gz ODYSDKZAQFTGOT-ZTFGCOKTSA-N 2 0 291.483 2.323 10 0 CEAERP CC(C)C[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086217767 179249663 /nfs/dbraw/zinc/24/96/63/179249663.db2.gz CRWHOEWIYJIPNQ-CVEARBPZSA-N 2 0 269.477 2.283 10 0 CEAERP C[N@@H+]1CC[C@@H](CN2CC(C)(C)[NH2+]C[C@@H]2c2ccccc2)C1 ZINC000086223083 179250646 /nfs/dbraw/zinc/25/06/46/179250646.db2.gz RBUKQTNATPRKQF-NVXWUHKLSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223136 179252202 /nfs/dbraw/zinc/25/22/02/179252202.db2.gz OCPPGAMPWPXDEJ-KBAYOESNSA-N 2 0 287.451 2.363 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086225428 179253624 /nfs/dbraw/zinc/25/36/24/179253624.db2.gz JOZPVFDPRPPRJW-SOUVJXGZSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@H](C3CC3)[NH2+]C[C@@H]2CC)CC1 ZINC000086227301 179254037 /nfs/dbraw/zinc/25/40/37/179254037.db2.gz BSFRKSSJVZUNPH-RDJZCZTQSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@](C)(C3CC3)[NH2+]C[C@@H]2C)CC1 ZINC000086227286 179254501 /nfs/dbraw/zinc/25/45/01/179254501.db2.gz FMVMFUNXRJMDKE-YOEHRIQHSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259586 179258523 /nfs/dbraw/zinc/25/85/23/179258523.db2.gz ZZWYFTQCNFYYNX-BMGDILEWSA-N 2 0 285.435 2.258 10 0 CEAERP C[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261110 179260367 /nfs/dbraw/zinc/26/03/67/179260367.db2.gz TYZPWGJPWVFLNG-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H]1CN[C@@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261056 179260476 /nfs/dbraw/zinc/26/04/76/179260476.db2.gz WLZSXEMPGKEGBB-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CN[C@@H](CC(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261128 179260500 /nfs/dbraw/zinc/26/05/00/179260500.db2.gz NFFLNLIJHADBFD-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@]1(C)C[N@H+](CC2CC[NH+](C)CC2)[C@H](C(C)C)CN1 ZINC000086258993 179257259 /nfs/dbraw/zinc/25/72/59/179257259.db2.gz LPDYRJAWIIYSAG-DLBZAZTESA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086293027 179266447 /nfs/dbraw/zinc/26/64/47/179266447.db2.gz AVTGSZIZVOTWCI-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP C([C@@H]1CCCOC1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086292469 179266586 /nfs/dbraw/zinc/26/65/86/179266586.db2.gz GXCAKXKXPSSHOM-AWEZNQCLSA-N 2 0 252.402 2.021 10 0 CEAERP CC(C)C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291578 179266657 /nfs/dbraw/zinc/26/66/57/179266657.db2.gz LJAKUSNCMFUNRN-CVEARBPZSA-N 2 0 267.461 2.038 10 0 CEAERP O[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C[NH+]1CCCCC1 ZINC000336844359 365918177 /nfs/dbraw/zinc/91/81/77/365918177.db2.gz ZGHHUILKUBXBCT-INIZCTEOSA-N 2 0 296.842 2.319 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000086577486 179308787 /nfs/dbraw/zinc/30/87/87/179308787.db2.gz NLEALQSDCLAFBQ-UHFFFAOYSA-N 2 0 295.471 2.230 10 0 CEAERP Cc1ccc(N(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819526 179348933 /nfs/dbraw/zinc/34/89/33/179348933.db2.gz KUTNEKDVORSEOQ-MRXNPFEDSA-N 2 0 261.413 2.244 10 0 CEAERP CCOC(=O)C1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000086818799 179347041 /nfs/dbraw/zinc/34/70/41/179347041.db2.gz JTSNUFJEDWGOHI-SHARSMKWSA-N 2 0 282.428 2.182 10 0 CEAERP CCCCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847900 179357377 /nfs/dbraw/zinc/35/73/77/179357377.db2.gz LEJSSNBUHRYVSG-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)C2CC2)CC1 ZINC000086848953 179357524 /nfs/dbraw/zinc/35/75/24/179357524.db2.gz IGWFWNPTDQESBI-KRWDZBQOSA-N 2 0 279.472 2.453 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2C)CC1 ZINC000086843403 179352515 /nfs/dbraw/zinc/35/25/15/179352515.db2.gz FUXVNLKDPFAXSR-HOTGVXAUSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846747 179354525 /nfs/dbraw/zinc/35/45/25/179354525.db2.gz JXYUUPBLNIZCQU-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCCCC2)CC1 ZINC000086846265 179354784 /nfs/dbraw/zinc/35/47/84/179354784.db2.gz JXRLUIQJOSCCKV-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846791 179355168 /nfs/dbraw/zinc/35/51/68/179355168.db2.gz RENNYFFAWCUZMW-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000086845888 179355470 /nfs/dbraw/zinc/35/54/70/179355470.db2.gz RGKJJIILAWAHMX-JYJNAYRXSA-N 2 0 268.445 2.390 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CC2CCOCC2)CC1 ZINC000086845065 179355589 /nfs/dbraw/zinc/35/55/89/179355589.db2.gz PECDTEZERZGLBR-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[N@@H+]1CCC[C@](CC(=O)OCC)([NH+](C)C)CC1 ZINC000086868540 179360837 /nfs/dbraw/zinc/36/08/37/179360837.db2.gz GGADTYOWRWBUBH-HNNXBMFYSA-N 2 0 270.417 2.136 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000086850966 179359167 /nfs/dbraw/zinc/35/91/67/179359167.db2.gz WVRPFLVFRAOALL-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C)CC2)CC1 ZINC000086890464 179366523 /nfs/dbraw/zinc/36/65/23/179366523.db2.gz MPGGXKYQANDNQC-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086913659 179367005 /nfs/dbraw/zinc/36/70/05/179367005.db2.gz DUNMDIWITASUQK-HUUCEWRRSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[C@@H]1CCC[C@@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947880 179368471 /nfs/dbraw/zinc/36/84/71/179368471.db2.gz DZTFRXVFJYZKHJ-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP Nc1cc[nH+]cc1C[C@H]([NH3+])CSc1ccccc1 ZINC000087162165 179398589 /nfs/dbraw/zinc/39/85/89/179398589.db2.gz RLIVXZZUDXCIJF-LBPRGKRZSA-N 2 0 259.378 2.326 10 0 CEAERP CCC(CC)[C@@H](CNC(=O)C[C@@H](C[NH3+])CC(C)C)[NH+](C)C ZINC000088278017 179574457 /nfs/dbraw/zinc/57/44/57/179574457.db2.gz COIDKBHPWWESID-GOEBONIOSA-N 2 0 299.503 2.480 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N(C)CCC[NH+](C)C)s1 ZINC000104198377 185926366 /nfs/dbraw/zinc/92/63/66/185926366.db2.gz LUKUCEUKGNIZAS-NSHDSACASA-N 2 0 270.446 2.202 10 0 CEAERP Cc1nonc1C[N@@H+](C)C1CCC2(CC[NH2+]CC2)CC1 ZINC000067869332 362930464 /nfs/dbraw/zinc/93/04/64/362930464.db2.gz DIESEKJMSLDIIV-UHFFFAOYSA-N 2 0 278.400 2.122 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000089452247 539717149 /nfs/dbraw/zinc/71/71/49/539717149.db2.gz JHHWGKCJUFZYMQ-DZGCQCFKSA-N 2 0 275.396 2.062 10 0 CEAERP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400342604 233176673 /nfs/dbraw/zinc/17/66/73/233176673.db2.gz JDXFSBWLHGIFLG-JQHSSLGASA-N 2 0 287.451 2.239 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089393574 179779612 /nfs/dbraw/zinc/77/96/12/179779612.db2.gz QWJSENOZKGPOEX-GOEBONIOSA-N 2 0 295.471 2.084 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693619 180026130 /nfs/dbraw/zinc/02/61/30/180026130.db2.gz JRYMASDUPVIEKG-OLZOCXBDSA-N 2 0 294.361 2.419 10 0 CEAERP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694630 180026350 /nfs/dbraw/zinc/02/63/50/180026350.db2.gz BXTVWJXQHWTYIB-CZUORRHYSA-N 2 0 295.471 2.144 10 0 CEAERP [NH3+]C[C@@H](C[NH2+]CCc1cscn1)c1ccccc1 ZINC000104443793 186004311 /nfs/dbraw/zinc/00/43/11/186004311.db2.gz NNRLJJGQCPATDC-ZDUSSCGKSA-N 2 0 261.394 2.018 10 0 CEAERP CC[NH2+]CC1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090875387 180051402 /nfs/dbraw/zinc/05/14/02/180051402.db2.gz CNDVIVQZOIYBEY-MRXNPFEDSA-N 2 0 274.408 2.312 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[N@@H+](CCC(N)=[NH2+])C(C)C)O2 ZINC000090898687 180057715 /nfs/dbraw/zinc/05/77/15/180057715.db2.gz HFUDYKZHJMLFIE-CQSZACIVSA-N 2 0 275.396 2.335 10 0 CEAERP CCC[NH2+]C[C@@](C)(CC)CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090907445 180061324 /nfs/dbraw/zinc/06/13/24/180061324.db2.gz GBMHLGWFPHSOCA-QLFBSQMISA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+]CCc1nc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000090958785 180074828 /nfs/dbraw/zinc/07/48/28/180074828.db2.gz XXGSOTDCFHJJLM-YPMHNXCESA-N 2 0 265.426 2.409 10 0 CEAERP CC(C)[C@@H]1CCC[N@@H+]1Cc1csc(CC[NH3+])n1 ZINC000090958816 180075715 /nfs/dbraw/zinc/07/57/15/180075715.db2.gz UZOKNVNSQCMOBM-LBPRGKRZSA-N 2 0 253.415 2.265 10 0 CEAERP [NH3+]CC1([C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000669377279 539760073 /nfs/dbraw/zinc/76/00/73/539760073.db2.gz LMYJIFDDMLDMKQ-QGZVFWFLSA-N 2 0 274.408 2.143 10 0 CEAERP c1nn(-c2cc[nH+]cc2)c(C2CC2)c1C[NH2+]C1CC1 ZINC000091337134 180136437 /nfs/dbraw/zinc/13/64/37/180136437.db2.gz QUHLHLDWKIIVKG-UHFFFAOYSA-N 2 0 254.337 2.397 10 0 CEAERP CC(C)C[NH2+]Cc1cnn(CC[NH+](C)C)c1C(F)F ZINC000091338594 180136611 /nfs/dbraw/zinc/13/66/11/180136611.db2.gz QEGFHVCRBWHIPG-UHFFFAOYSA-N 2 0 274.359 2.128 10 0 CEAERP C([C@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000091362506 180141503 /nfs/dbraw/zinc/14/15/03/180141503.db2.gz OPSMCMCJSXYMTB-KURKYZTESA-N 2 0 291.483 2.325 10 0 CEAERP C[N@H+](CC[C@@H]1CSCC[NH2+]1)Cc1ccccc1 ZINC000091291967 180122828 /nfs/dbraw/zinc/12/28/28/180122828.db2.gz JDINZVQYQNRGAD-CQSZACIVSA-N 2 0 250.411 2.214 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(Cc2oc3ccccc3c2C[NH3+])C1 ZINC000091433221 180153355 /nfs/dbraw/zinc/15/33/55/180153355.db2.gz JJQOWAQJLJUTEK-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432581 180153364 /nfs/dbraw/zinc/15/33/64/180153364.db2.gz MWYBBIYJKWVVCG-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CCCCC[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091433243 180154424 /nfs/dbraw/zinc/15/44/24/180154424.db2.gz NMSJWWRURWKKJR-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]CC(CC)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000091489590 180168962 /nfs/dbraw/zinc/16/89/62/180168962.db2.gz NLQHZHLIHXQIMS-UHFFFAOYSA-N 2 0 270.461 2.495 10 0 CEAERP CC[C@](C)(C[NH2+]CC(C)C)C[N@H+](C)CC1CC(O)C1 ZINC000091491163 180169728 /nfs/dbraw/zinc/16/97/28/180169728.db2.gz XEUIGJCXSBSOQP-UYSNPLJNSA-N 2 0 270.461 2.351 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCCCCC1 ZINC000091490764 180170142 /nfs/dbraw/zinc/17/01/42/180170142.db2.gz NDFIHXXJWFZAND-UHFFFAOYSA-N 2 0 268.445 2.249 10 0 CEAERP CCC[NH2+][C@H](CN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091391762 180144700 /nfs/dbraw/zinc/14/47/00/180144700.db2.gz QHGJDZDGMFXBAA-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC1CCC([C@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091391734 180144704 /nfs/dbraw/zinc/14/47/04/180144704.db2.gz FSUYFZJWJDHEOU-CKUJCDMFSA-N 2 0 267.461 2.166 10 0 CEAERP CCC[NH2+][C@@H](CN1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000091391761 180145145 /nfs/dbraw/zinc/14/51/45/180145145.db2.gz QHGJDZDGMFXBAA-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H](CC[NH3+])CCC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395349 180146124 /nfs/dbraw/zinc/14/61/24/180146124.db2.gz YHECKRLPDLQIJC-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP C[C@H]([NH3+])C(C)(C)CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000091402331 180147116 /nfs/dbraw/zinc/14/71/16/180147116.db2.gz SQNMBLVWNVTMDI-GOEBONIOSA-N 2 0 275.440 2.349 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[NH+](CCC)CC1 ZINC000091402260 180147415 /nfs/dbraw/zinc/14/74/15/180147415.db2.gz SRPUMYRBFHHFJX-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@](C)([C@@H]([NH2+]C)C1CCOCC1)[NH+]1CCCC1 ZINC000091605996 180204398 /nfs/dbraw/zinc/20/43/98/180204398.db2.gz OCOOJIJZSPSBPG-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP CCC(CC)([C@H]([NH2+]C)[C@@H]1CCOC1)[NH+]1CCCC1 ZINC000091635070 180210971 /nfs/dbraw/zinc/21/09/71/180210971.db2.gz ZJPDSAWEYIUWRM-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1cc(C)nn1C ZINC000091716900 180232059 /nfs/dbraw/zinc/23/20/59/180232059.db2.gz CSHNOXCUXWGBHD-HNNXBMFYSA-N 2 0 280.460 2.371 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1ncnn1CCC ZINC000091716983 180232571 /nfs/dbraw/zinc/23/25/71/180232571.db2.gz OGLAHCAVEUGACW-OAHLLOKOSA-N 2 0 295.475 2.331 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720655 180236777 /nfs/dbraw/zinc/23/67/77/180236777.db2.gz FFAIXISHHXGASZ-OAGGEKHMSA-N 2 0 260.381 2.166 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268867 /nfs/dbraw/zinc/26/88/67/180268867.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 3 0 267.461 2.453 10 0 CEAERP CCn1cc([C@H](C)[N@H+](C)C2CCC([NH3+])CC2)cn1 ZINC000091844192 180269259 /nfs/dbraw/zinc/26/92/59/180269259.db2.gz PMDSOSGLQFBKMT-XGNXJENSSA-N 2 0 250.390 2.166 10 0 CEAERP CCOC(=O)c1ccoc1C[N@H+](C)C1CCC([NH3+])CC1 ZINC000091846490 180270497 /nfs/dbraw/zinc/27/04/97/180270497.db2.gz FGPFJBUHLCHTNS-UHFFFAOYSA-N 2 0 280.368 2.158 10 0 CEAERP C[N@H+](C[C@@H]1Cc2cc(F)ccc2O1)C1CCC([NH3+])CC1 ZINC000091847638 180271182 /nfs/dbraw/zinc/27/11/82/180271182.db2.gz DDYSSKQKELTBCB-NRXISQOPSA-N 2 0 278.371 2.331 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@@H]2COC3(CCCC3)O2)CC1 ZINC000091873133 180278065 /nfs/dbraw/zinc/27/80/65/180278065.db2.gz ALWANPKJBOIJRI-YMAMQOFZSA-N 2 0 282.428 2.135 10 0 CEAERP CCC[NH+]1CCC(O)([C@]2(C[NH3+])CC[C@@H](CC)C2)CC1 ZINC000091906358 180283921 /nfs/dbraw/zinc/28/39/21/180283921.db2.gz WYUUTMTWKWLTCO-HUUCEWRRSA-N 2 0 268.445 2.379 10 0 CEAERP CCC1CCC(C[NH3+])([C@](C)(O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000091908077 180284640 /nfs/dbraw/zinc/28/46/40/180284640.db2.gz NGOBBRKYTXKSHV-LVDPKSTMSA-N 2 0 268.445 2.282 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2nc(C)ccc2O)CC1 ZINC000091996247 180302160 /nfs/dbraw/zinc/30/21/60/180302160.db2.gz GJIAZFFKAPLNSG-UHFFFAOYSA-N 2 0 263.385 2.058 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092302616 180359541 /nfs/dbraw/zinc/35/95/41/180359541.db2.gz YQJWKDAVFHJCMA-CQSZACIVSA-N 2 0 260.381 2.094 10 0 CEAERP CC[N@H+](C[C@@H]1COc2ccccc21)C1CC[NH2+]CC1 ZINC000092304388 180359642 /nfs/dbraw/zinc/35/96/42/180359642.db2.gz AOJWMQKURVKJMS-CYBMUJFWSA-N 2 0 260.381 2.237 10 0 CEAERP CCC[NH2+][C@@H](CC)CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000092627564 180419215 /nfs/dbraw/zinc/41/92/15/180419215.db2.gz BNJJJCRACFRSRH-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](c1nc(CC[NH+](CC)CC)no1)[C@@H](C)[NH2+]C ZINC000109496123 186256733 /nfs/dbraw/zinc/25/67/33/186256733.db2.gz GGOKOQGZIDBTEP-NEPJUHHUSA-N 2 0 268.405 2.055 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000109603670 186266469 /nfs/dbraw/zinc/26/64/69/186266469.db2.gz ORDMHCWOKKVIJA-INIZCTEOSA-N 2 0 290.407 2.352 10 0 CEAERP CCc1ccc(C[NH+]2CCN(C(C)(C)C[NH3+])CC2)cc1 ZINC000109464033 186254193 /nfs/dbraw/zinc/25/41/93/186254193.db2.gz RVHJKLJOLFNUNH-UHFFFAOYSA-N 2 0 275.440 2.104 10 0 CEAERP Cc1cc(C)cc(C[NH+]2CCN(C(C)(C)C[NH3+])CC2)c1 ZINC000109463779 186254249 /nfs/dbraw/zinc/25/42/49/186254249.db2.gz FJWKSJGAFWCRMJ-UHFFFAOYSA-N 2 0 275.440 2.158 10 0 CEAERP COC(=O)[C@@](C)([NH3+])CCC[N@H+](CCC(C)C)C1CC1 ZINC000109999723 186281792 /nfs/dbraw/zinc/28/17/92/186281792.db2.gz LXIWZKAUPJUKAR-HNNXBMFYSA-N 2 0 270.417 2.168 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C ZINC000110275607 186289357 /nfs/dbraw/zinc/28/93/57/186289357.db2.gz PSZNACMKKZYPGV-ZDUSSCGKSA-N 2 0 294.468 2.236 10 0 CEAERP CCCc1nc(N2CC[C@@H]([NH+](C)C)C2)sc1C[NH2+]CC ZINC000110275247 186289789 /nfs/dbraw/zinc/28/97/89/186289789.db2.gz MPZFUBVAARFKDP-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP [NH3+]C1(CN2CC[C@@H]([NH+]3CCCCC3)C2)CCCCC1 ZINC000110371162 186294812 /nfs/dbraw/zinc/29/48/12/186294812.db2.gz FLTYKDGDKULLMA-OAHLLOKOSA-N 2 0 265.445 2.208 10 0 CEAERP CC[N@@H+]1CCN(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000110694756 186313513 /nfs/dbraw/zinc/31/35/13/186313513.db2.gz BRMSXAPCPSMSCJ-QWHCGFSZSA-N 2 0 290.411 2.264 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(C)s2)C[C@@H]1C ZINC000110702710 186314705 /nfs/dbraw/zinc/31/47/05/186314705.db2.gz XFKMNHGNZAXLKU-AAEUAGOBSA-N 2 0 267.442 2.082 10 0 CEAERP COc1ccc([C@H](C)[NH3+])cc1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716948 186315266 /nfs/dbraw/zinc/31/52/66/186315266.db2.gz AEVBDDHLAKYACG-ZDUSSCGKSA-N 2 0 291.439 2.241 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000110716543 186316133 /nfs/dbraw/zinc/31/61/33/186316133.db2.gz LCYQNLKMXQNNNF-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CCOc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)[C@@H](CC)C2)cc1 ZINC000110715504 186316257 /nfs/dbraw/zinc/31/62/57/186316257.db2.gz SQKAPPTWWNLJRV-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CC[N@H+](C)C(C)(C)C1 ZINC000110712038 186316273 /nfs/dbraw/zinc/31/62/73/186316273.db2.gz MXNDOXAJPBZHJS-UHFFFAOYSA-N 2 0 255.450 2.310 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000110712171 186316484 /nfs/dbraw/zinc/31/64/84/186316484.db2.gz YTKYYAOITCHZKH-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110746826 186319824 /nfs/dbraw/zinc/31/98/24/186319824.db2.gz SMOUGKHKCCYQBY-OAGGEKHMSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H]1CN(Cc2ccc(C[NH2+]C(C)(C)C)o2)CC[N@@H+]1C ZINC000110751627 186320510 /nfs/dbraw/zinc/32/05/10/186320510.db2.gz ZJEVKSHXKWJVJX-ZDUSSCGKSA-N 2 0 279.428 2.304 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747360 186320762 /nfs/dbraw/zinc/32/07/62/186320762.db2.gz AYFBABOBWMOOPW-UHFFFAOYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)N(C)CCC[NH+](C)C ZINC000111130931 186356058 /nfs/dbraw/zinc/35/60/58/186356058.db2.gz LDMMCDOUZUIQBV-IAGOWNOFSA-N 2 0 293.455 2.357 10 0 CEAERP Cc1cc([C@H](C[NH3+])N(C)CCC[NH+](C)C)ccc1F ZINC000111133293 186356378 /nfs/dbraw/zinc/35/63/78/186356378.db2.gz AQLJTWDWSSFEMS-HNNXBMFYSA-N 2 0 267.392 2.017 10 0 CEAERP C[C@H](C[C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1ccccc1 ZINC000111133834 186356441 /nfs/dbraw/zinc/35/64/41/186356441.db2.gz LUSKKICALJYROO-WBVHZDCISA-N 2 0 277.456 2.391 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1C ZINC000111133519 186356579 /nfs/dbraw/zinc/35/65/79/186356579.db2.gz QIKQWGBJLNIZPN-MRXNPFEDSA-N 2 0 263.429 2.187 10 0 CEAERP C[NH2+]Cc1c(Cl)cccc1N(C)CC[NH+](C)C ZINC000111140402 186357067 /nfs/dbraw/zinc/35/70/67/186357067.db2.gz DOTSJCNPSTYZCS-UHFFFAOYSA-N 2 0 255.793 2.057 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)CCC[NH+](C)C ZINC000111135719 186357787 /nfs/dbraw/zinc/35/77/87/186357787.db2.gz YISHDKGZHXNZMD-ZNMIVQPWSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+]C[C@@](C)(CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147521 186358944 /nfs/dbraw/zinc/35/89/44/186358944.db2.gz OTHCBXCJKJOORK-KRWDZBQOSA-N 2 0 277.456 2.047 10 0 CEAERP CN(CCC[NH+](C)C)CC[C@H]([NH3+])c1ccc(F)cc1 ZINC000111148358 186358991 /nfs/dbraw/zinc/35/89/91/186358991.db2.gz JOBJKIZOPKEYAF-HNNXBMFYSA-N 2 0 267.392 2.099 10 0 CEAERP CN(CC[C@@H]([NH3+])c1cccc(Cl)c1)CC[NH+](C)C ZINC000111147074 186359574 /nfs/dbraw/zinc/35/95/74/186359574.db2.gz KZYXBCLKWKQVNU-CQSZACIVSA-N 2 0 269.820 2.223 10 0 CEAERP CC(C)[C@@H]1CC[C@H](O)[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000111143999 186359606 /nfs/dbraw/zinc/35/96/06/186359606.db2.gz WKOXUNIHNCFCPG-KFWWJZLASA-N 2 0 256.434 2.056 10 0 CEAERP CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111175113 186365882 /nfs/dbraw/zinc/36/58/82/186365882.db2.gz FFYVCFINDDJRBM-CABCVRRESA-N 2 0 256.434 2.227 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@@H+]2CCC[C@@H]2C)CCCOC1 ZINC000111323364 186396993 /nfs/dbraw/zinc/39/69/93/186396993.db2.gz FGMYCRPBGZVBMF-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324387 186397112 /nfs/dbraw/zinc/39/71/12/186397112.db2.gz ZNKCISQGOYATEE-IAGOWNOFSA-N 2 0 298.471 2.020 10 0 CEAERP [NH3+]C[C@@]1(C[N@@H+]2CCC[C@@H]2C2CCCC2)CCCOC1 ZINC000111326844 186398098 /nfs/dbraw/zinc/39/80/98/186398098.db2.gz OSGIEGWAAXHCFJ-HZPDHXFCSA-N 2 0 266.429 2.397 10 0 CEAERP COC1CC[NH+](C[C@@]2(C[NH2+]C(C)(C)C)CCCOC2)CC1 ZINC000111325077 186398437 /nfs/dbraw/zinc/39/84/37/186398437.db2.gz FWMLAJNGBQZKGU-KRWDZBQOSA-N 2 0 298.471 2.282 10 0 CEAERP CC(C)C[NH+](CC(C)C)C[C@]1(C[NH3+])CCCOC1 ZINC000111326165 186398696 /nfs/dbraw/zinc/39/86/96/186398696.db2.gz GKLDMCPNVMGMQQ-OAHLLOKOSA-N 2 0 256.434 2.356 10 0 CEAERP CC1(C)CCC[N@@H+]1C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111329497 186399978 /nfs/dbraw/zinc/39/99/78/186399978.db2.gz IDEJECLGNJIVHP-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(CC[NH3+])cc2F)C1 ZINC000111482591 186422758 /nfs/dbraw/zinc/42/27/58/186422758.db2.gz WXXCFWKVYMLSJW-CQSZACIVSA-N 2 0 279.403 2.247 10 0 CEAERP O[C@@H](C[NH+]1CCC(C[NH2+]C2CC2)CC1)c1ccccc1 ZINC000111696705 186444525 /nfs/dbraw/zinc/44/45/25/186444525.db2.gz YYFVPEDUOLHPJR-KRWDZBQOSA-N 2 0 274.408 2.184 10 0 CEAERP C[NH2+][C@H](C)C1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1 ZINC000111708631 186449458 /nfs/dbraw/zinc/44/94/58/186449458.db2.gz UAZDIVNAZOYUAM-CQSZACIVSA-N 2 0 289.423 2.253 10 0 CEAERP CC(C)(C)c1ccc(OCCN[C@@H]2CC[NH2+]C2)cc1 ZINC000262287908 539855596 /nfs/dbraw/zinc/85/55/96/539855596.db2.gz ZVDQMPKGEIBYFJ-CQSZACIVSA-N 2 0 262.397 2.314 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575439434 366288013 /nfs/dbraw/zinc/28/80/13/366288013.db2.gz LCNLFRRWOZLKKG-SNVBAGLBSA-N 2 0 261.138 2.327 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000079518394 363612905 /nfs/dbraw/zinc/61/29/05/363612905.db2.gz KYENGJDORWYOHN-QGZVFWFLSA-N 2 0 295.471 2.099 10 0 CEAERP C[C@H](NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400724552 299305627 /nfs/dbraw/zinc/30/56/27/299305627.db2.gz PCZDTKFJDCDELI-KKUMJFAQSA-N 2 0 277.412 2.004 10 0 CEAERP CC[NH2+][C@@H](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095091404 364337932 /nfs/dbraw/zinc/33/79/32/364337932.db2.gz YCMCVQFNIYBHST-KRWDZBQOSA-N 2 0 276.424 2.259 10 0 CEAERP CCC[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+](C)C ZINC000161531015 367094097 /nfs/dbraw/zinc/09/40/97/367094097.db2.gz JBRRDAKKLOYXPR-HNNXBMFYSA-N 2 0 277.412 2.417 10 0 CEAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000181655672 368480185 /nfs/dbraw/zinc/48/01/85/368480185.db2.gz ZRAXFRVIMSXOKE-BZUAXINKSA-N 2 0 267.461 2.179 10 0 CEAERP C[N@H+](CCN1CC[NH+]2CCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000186992486 369082929 /nfs/dbraw/zinc/08/29/29/369082929.db2.gz URLQPFWEXIUIKQ-QGZVFWFLSA-N 2 0 291.414 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000221715932 370243216 /nfs/dbraw/zinc/24/32/16/370243216.db2.gz CKKXSOFANOKPTB-JKSUJKDBSA-N 2 0 289.423 2.067 10 0 CEAERP CCn1nccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261609718 371677866 /nfs/dbraw/zinc/67/78/66/371677866.db2.gz APAYYDPEWITRAD-WBVHZDCISA-N 2 0 284.407 2.077 10 0 CEAERP COc1cccc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261579384 371659795 /nfs/dbraw/zinc/65/97/95/371659795.db2.gz DTURRIKELYQHGP-YUDUHTQSSA-N 2 0 260.381 2.425 10 0 CEAERP c1csc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261882695 371760573 /nfs/dbraw/zinc/76/05/73/371760573.db2.gz FNLIPDBSCRCKDT-KFWWJZLASA-N 2 0 280.437 2.037 10 0 CEAERP C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643456966 373127504 /nfs/dbraw/zinc/12/75/04/373127504.db2.gz KXMUMPRFORGTFT-HRCADAONSA-N 2 0 267.461 2.229 10 0 CEAERP CC1(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000311212419 376659294 /nfs/dbraw/zinc/65/92/94/376659294.db2.gz LMMDZWMMLJLHSD-UONOGXRCSA-N 2 0 254.418 2.002 10 0 CEAERP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cn1 ZINC000191490831 542342427 /nfs/dbraw/zinc/34/24/27/542342427.db2.gz POMQYYPDZYOEBI-MRXNPFEDSA-N 2 0 299.422 2.399 10 0 CEAERP CCC[NH+]1CCN([C@H](C)[C@H](C)C[NH2+]C(C)C)CC1 ZINC000093068575 184645955 /nfs/dbraw/zinc/64/59/55/184645955.db2.gz LRBBHQNBJFGGMI-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCN([C@]2(C[NH3+])CCC[C@@H](C3CC3)C2)CC1 ZINC000081640430 177834839 /nfs/dbraw/zinc/83/48/39/177834839.db2.gz VQXJRZSLZHWBIH-IAGOWNOFSA-N 2 0 279.472 2.312 10 0 CEAERP COC[C@H]1CC[N@H+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])C1 ZINC000081115856 177773632 /nfs/dbraw/zinc/77/36/32/177773632.db2.gz VYCQDRBQJYGRQJ-FZKCQIBNSA-N 2 0 268.445 2.354 10 0 CEAERP [NH3+][C@]1(CO)CCC[C@@H]1CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000093618288 184696540 /nfs/dbraw/zinc/69/65/40/184696540.db2.gz QRXMSDPITCDQNU-YPMHNXCESA-N 2 0 294.361 2.141 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH2+]CC2CC[NH2+]CC2)(N(C)C)C1 ZINC000094010343 184749968 /nfs/dbraw/zinc/74/99/68/184749968.db2.gz ABCJYFAWSLBLPF-GDBMZVCRSA-N 2 0 267.461 2.086 10 0 CEAERP CCC[N@H+](CC1CC[NH2+]CC1)[C@@H](C)CC(=O)OCC ZINC000094025737 184751456 /nfs/dbraw/zinc/75/14/56/184751456.db2.gz SMETUZUBGYAXRB-ZDUSSCGKSA-N 2 0 270.417 2.040 10 0 CEAERP C[NH+](C)C1(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])CCCCC1 ZINC000094752449 184852828 /nfs/dbraw/zinc/85/28/28/184852828.db2.gz UFXWBXGFMBOSTK-LSDHHAIUSA-N 2 0 295.471 2.275 10 0 CEAERP CC[NH+](CC)CCOCc1ccc(C[NH2+]C(C)C)cn1 ZINC000094760881 184855586 /nfs/dbraw/zinc/85/55/86/184855586.db2.gz LRPVOAXKPXBVOZ-UHFFFAOYSA-N 2 0 279.428 2.438 10 0 CEAERP CC[NH2+][C@@H](C)c1ccnc(OCC[NH+](CC)CC)c1 ZINC000095001665 184913716 /nfs/dbraw/zinc/91/37/16/184913716.db2.gz DXEJXZXZLYLNKK-ZDUSSCGKSA-N 2 0 265.401 2.473 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@@H](C)SCC[NH+](C)C)cc1 ZINC000095021473 184917369 /nfs/dbraw/zinc/91/73/69/184917369.db2.gz WIVXCTHRNVIUOV-BXUZGUMPSA-N 2 0 268.426 2.378 10 0 CEAERP C[C@@H]([NH2+]Cc1ccc(OC(F)F)cc1)[C@H]1CC[NH2+]C1 ZINC000400345765 533447325 /nfs/dbraw/zinc/44/73/25/533447325.db2.gz IWDBGLRBFKZWBV-PWSUYJOCSA-N 2 0 270.323 2.376 10 0 CEAERP C[C@@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000400354569 533611100 /nfs/dbraw/zinc/61/11/00/533611100.db2.gz AAJGSVPPXXTIAJ-BQFCYCMXSA-N 2 0 289.467 2.485 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H](C[NH3+])C(C)C)CC2)c1 ZINC000087535241 135050283 /nfs/dbraw/zinc/05/02/83/135050283.db2.gz YNFVAGFRMDUBIK-MRXNPFEDSA-N 2 0 275.440 2.348 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3cc2C[NH3+])C1 ZINC000091394092 135069114 /nfs/dbraw/zinc/06/91/14/135069114.db2.gz ONLPPMCWODVQFE-OAHLLOKOSA-N 2 0 284.407 2.224 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394289 135069137 /nfs/dbraw/zinc/06/91/37/135069137.db2.gz CXTUGSZTIUWQSV-HNNXBMFYSA-N 2 0 261.413 2.327 10 0 CEAERP CSC1(C[NH3+])CCN(c2cc[nH+]cc2C)CC1 ZINC000091475564 135070919 /nfs/dbraw/zinc/07/09/19/135070919.db2.gz DCHGRPNOBIBRSZ-UHFFFAOYSA-N 2 0 251.399 2.051 10 0 CEAERP [NH3+][C@H]1C=C[C@H](C[NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000092208901 135075907 /nfs/dbraw/zinc/07/59/07/135075907.db2.gz HSCUFMJABQSVQB-ZFWWWQNUSA-N 2 0 291.826 2.365 10 0 CEAERP Cc1cccc(N2CC[NH+](C[C@@H]3C=C[C@@H]([NH3+])C3)CC2)c1 ZINC000092208893 135075932 /nfs/dbraw/zinc/07/59/32/135075932.db2.gz BXLJSODLCJFMKR-HZPDHXFCSA-N 2 0 271.408 2.020 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@@H](C)[C@@H](C)C[NH3+])CC2)c1C ZINC000093068244 135078989 /nfs/dbraw/zinc/07/89/89/135078989.db2.gz JOCDDBUGNQJXNN-HOCLYGCPSA-N 2 0 275.440 2.409 10 0 CEAERP [NH3+][C@@H]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093551575 135081522 /nfs/dbraw/zinc/08/15/22/135081522.db2.gz SUJFKORTSBVGFC-DOTOQJQBSA-N 2 0 273.424 2.326 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(CC[NH3+])cc1F ZINC000094444591 135088868 /nfs/dbraw/zinc/08/88/68/135088868.db2.gz OGHXISKTPZTEQZ-UKRRQHHQSA-N 2 0 291.414 2.390 10 0 CEAERP C[C@@H]1CCN(C2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000306791382 394517940 /nfs/dbraw/zinc/51/79/40/394517940.db2.gz XNEOXBOWOWJSRU-MRXNPFEDSA-N 2 0 287.451 2.335 10 0 CEAERP O[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)C[NH+]1CCCCC1 ZINC000324941591 394550597 /nfs/dbraw/zinc/55/05/97/394550597.db2.gz XRHYCXJRBHDLJC-JKSUJKDBSA-N 2 0 266.429 2.002 10 0 CEAERP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2[nH+]1 ZINC000090323079 394655082 /nfs/dbraw/zinc/65/50/82/394655082.db2.gz HECHDCYQXLFXGK-BETUJISGSA-N 2 0 253.349 2.199 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792266 394607515 /nfs/dbraw/zinc/60/75/15/394607515.db2.gz GHECCHOIYBJQQP-XBVQOTNRSA-N 2 0 280.456 2.248 10 0 CEAERP CC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119106685 394763840 /nfs/dbraw/zinc/76/38/40/394763840.db2.gz RIYMBXMIWBPCFY-LZWOXQAQSA-N 2 0 268.445 2.390 10 0 CEAERP C[C@]1(CNC2CC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000397887050 395228231 /nfs/dbraw/zinc/22/82/31/395228231.db2.gz JPHRHWZVFOMXPT-GOSISDBHSA-N 3 0 287.451 2.383 10 0 CEAERP C[C@H]([NH2+]CCOCC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000574069937 395626005 /nfs/dbraw/zinc/62/60/05/395626005.db2.gz DQJRKSAIJYVTKS-ZFWWWQNUSA-N 2 0 254.418 2.171 10 0 CEAERP CCn1cnnc1[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000191587878 153182715 /nfs/dbraw/zinc/18/27/15/153182715.db2.gz GPRVWIACVGXJAW-OAHLLOKOSA-N 2 0 293.459 2.209 10 0 CEAERP C[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1 ZINC000216404299 153297150 /nfs/dbraw/zinc/29/71/50/153297150.db2.gz MCQITANOFKWCET-CWQOZTLDSA-N 2 0 291.483 2.038 10 0 CEAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000261648732 153798527 /nfs/dbraw/zinc/79/85/27/153798527.db2.gz QJNRDQBZCSBOOG-ARFHVFGLSA-N 2 0 276.428 2.092 10 0 CEAERP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790678 153839161 /nfs/dbraw/zinc/83/91/61/153839161.db2.gz XRYKCXUINUDMQV-XKQJLSEDSA-N 2 0 290.407 2.133 10 0 CEAERP CC(C)[NH+](CCN(C)C[C@]1(C)CC[NH2+]C1)C(C)C ZINC000261917335 153874415 /nfs/dbraw/zinc/87/44/15/153874415.db2.gz ZQESJYMBJNTOCZ-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP [NH3+]Cc1ccc(-c2noc([C@@H]3CCC[C@@H]([NH3+])C3)n2)cc1 ZINC000262095636 153911452 /nfs/dbraw/zinc/91/14/52/153911452.db2.gz VFEAYTCIUPKPOX-CHWSQXEVSA-N 2 0 272.352 2.180 10 0 CEAERP Cc1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)c2)cc1 ZINC000263283192 154048317 /nfs/dbraw/zinc/04/83/17/154048317.db2.gz UOYVRABWMJCYTR-RTBURBONSA-N 2 0 296.414 2.332 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC000020049081 170978953 /nfs/dbraw/zinc/97/89/53/170978953.db2.gz KKKLOLUCLXRLCK-ZDUSSCGKSA-N 2 0 271.449 2.001 10 0 CEAERP CC[C@@H](C)C[C@@](CC)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217717 171080482 /nfs/dbraw/zinc/08/04/82/171080482.db2.gz CBYXFOQSWRYYQD-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc2ccccc2c1 ZINC000020401637 171182410 /nfs/dbraw/zinc/18/24/10/171182410.db2.gz KNNNUDUNUPASKT-HNNXBMFYSA-N 2 0 258.365 2.498 10 0 CEAERP C[NH+]1CCN([C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000022171906 171368111 /nfs/dbraw/zinc/36/81/11/171368111.db2.gz ZAGUQDPMXYCGEJ-QGZVFWFLSA-N 2 0 269.392 2.087 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C)N(C)C)CC1 ZINC000038087987 174100349 /nfs/dbraw/zinc/10/03/49/174100349.db2.gz YIQPIAQCEDFNES-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH+](C)CCCn1c2ccc(Cl)cc2nc1CC[NH3+] ZINC000040404408 174253563 /nfs/dbraw/zinc/25/35/63/174253563.db2.gz YTGKCVBCZAKGDK-UHFFFAOYSA-N 2 0 280.803 2.143 10 0 CEAERP [NH3+]C[C@H]1CCCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693645 174377171 /nfs/dbraw/zinc/37/71/71/174377171.db2.gz KPCPHLOJFRURCN-NVXWUHKLSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(O)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000040735932 174389276 /nfs/dbraw/zinc/38/92/76/174389276.db2.gz DLIUAWNSRRAUNC-HIFRSBDPSA-N 2 0 262.397 2.255 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CCC(C[NH+](C)C)CC1 ZINC000043340471 175014762 /nfs/dbraw/zinc/01/47/62/175014762.db2.gz WUMUFOVNZHYITF-RDJZCZTQSA-N 2 0 290.455 2.134 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CCC([NH+](C)C)CC2)o1 ZINC000043364374 175024488 /nfs/dbraw/zinc/02/44/88/175024488.db2.gz PNIGWRCDUFUCMQ-SWLSCSKDSA-N 2 0 265.401 2.002 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC([NH+](C)C)CC1 ZINC000043364378 175025111 /nfs/dbraw/zinc/02/51/11/175025111.db2.gz MHRKMSCZEQDLDT-GOEBONIOSA-N 2 0 279.428 2.392 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CCC([NH+](C)C)CC2)c1 ZINC000043394177 175035034 /nfs/dbraw/zinc/03/50/34/175035034.db2.gz JILOHXISOJVHOM-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](CC)CC1 ZINC000043806119 175108308 /nfs/dbraw/zinc/10/83/08/175108308.db2.gz XOXNLNWXRFOBSM-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000043806151 175108405 /nfs/dbraw/zinc/10/84/05/175108405.db2.gz QPZNJWOVDNCXFB-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CCCc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]C)cc1 ZINC000043810543 175109395 /nfs/dbraw/zinc/10/93/95/175109395.db2.gz QUBYIMLIOCHHDU-QGZVFWFLSA-N 2 0 275.440 2.147 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000043810483 175109432 /nfs/dbraw/zinc/10/94/32/175109432.db2.gz RPQSNACILJWWJI-LESVLKBLSA-N 2 0 291.483 2.038 10 0 CEAERP CCC[NH2+][C@H](CCC)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043811042 175110408 /nfs/dbraw/zinc/11/04/08/175110408.db2.gz CNYVSIGHDFGZMZ-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818515 175112848 /nfs/dbraw/zinc/11/28/48/175112848.db2.gz VNROVPZVNPUKOT-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897365 175119824 /nfs/dbraw/zinc/11/98/24/175119824.db2.gz AZHTVCHLTZDBCY-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907812 175123143 /nfs/dbraw/zinc/12/31/43/175123143.db2.gz WGRWUSXWUZIWMA-IRXDYDNUSA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)c1ccc(C)cc1 ZINC000043967827 175129083 /nfs/dbraw/zinc/12/90/83/175129083.db2.gz OWLZPGZBNCKLON-GOSISDBHSA-N 2 0 287.451 2.283 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000043967654 175129195 /nfs/dbraw/zinc/12/91/95/175129195.db2.gz IFXUDEURWCELPB-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)c(C)c1 ZINC000043967598 175129377 /nfs/dbraw/zinc/12/93/77/175129377.db2.gz XUFQSGTZIIGZKZ-GOSISDBHSA-N 2 0 287.451 2.344 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967715 175129381 /nfs/dbraw/zinc/12/93/81/175129381.db2.gz CAXAZZAPZZSVEL-MSOLQXFVSA-N 2 0 285.435 2.042 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388541 175373613 /nfs/dbraw/zinc/37/36/13/175373613.db2.gz CLTUDHBZKYVNMP-GOEBONIOSA-N 2 0 285.476 2.378 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000070543892 175978743 /nfs/dbraw/zinc/97/87/43/175978743.db2.gz VXSXGZZXUAYGSW-DOTOQJQBSA-N 2 0 275.440 2.493 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071162186 176045992 /nfs/dbraw/zinc/04/59/92/176045992.db2.gz DHQFBXYTKKXONO-BRWVUGGUSA-N 2 0 279.472 2.454 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188074 176061405 /nfs/dbraw/zinc/06/14/05/176061405.db2.gz DRDSOOVJWFFGEJ-ZENOOKHLSA-N 2 0 279.403 2.098 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188115 176062651 /nfs/dbraw/zinc/06/26/51/176062651.db2.gz QQXUANWICXTBTG-KBRIMQKVSA-N 2 0 293.430 2.488 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189040 176064411 /nfs/dbraw/zinc/06/44/11/176064411.db2.gz QWZBNEVUBYEZBI-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](CCNc1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071192411 176073082 /nfs/dbraw/zinc/07/30/82/176073082.db2.gz QMDJARJVNALDNZ-CYBMUJFWSA-N 2 0 265.376 2.121 10 0 CEAERP CCC(C)(C)[NH2+]C[C@@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192302 176073402 /nfs/dbraw/zinc/07/34/02/176073402.db2.gz LSKJNJQDNNYHMO-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200150 176077106 /nfs/dbraw/zinc/07/71/06/176077106.db2.gz XILSZZYOHCFFSQ-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP Cc1ncsc1C[NH2+]CCC[C@H]1CCC[NH2+]C1 ZINC000071213782 176085323 /nfs/dbraw/zinc/08/53/23/176085323.db2.gz FSDMSHXBPDENKX-GFCCVEGCSA-N 2 0 253.415 2.321 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000071263441 176096432 /nfs/dbraw/zinc/09/64/32/176096432.db2.gz OZSBSIYMIROJLL-HNNXBMFYSA-N 2 0 266.360 2.285 10 0 CEAERP COC1CC[NH+](CCCCCC[NH2+]C2CC2)CC1 ZINC000071287812 176109806 /nfs/dbraw/zinc/10/98/06/176109806.db2.gz FPCKOKVRUCFFQF-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CCCCCC[NH2+]C)C1 ZINC000071289984 176110556 /nfs/dbraw/zinc/11/05/56/176110556.db2.gz HPVIOXILLCYMIF-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP [NH3+][C@H]1CCC[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071613647 176233360 /nfs/dbraw/zinc/23/33/60/176233360.db2.gz OLPLSJBZHSPNJI-DLBZAZTESA-N 2 0 273.424 2.074 10 0 CEAERP CCC[C@H](CC[NH3+])CCC(=O)N1CCC([NH+](C)C)CC1 ZINC000079236963 177453247 /nfs/dbraw/zinc/45/32/47/177453247.db2.gz XMFIVAFCBSIWPH-AWEZNQCLSA-N 2 0 283.460 2.084 10 0 CEAERP C[N@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCC[NH2+]CC1 ZINC000231670194 270314391 /nfs/dbraw/zinc/31/43/91/270314391.db2.gz IXWOIHFAIPYBNF-ZDUSSCGKSA-N 2 0 293.386 2.228 10 0 CEAERP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]C2)ccc1Br ZINC000398376813 270358006 /nfs/dbraw/zinc/35/80/06/270358006.db2.gz TZIIRALPCPWSQK-LBPRGKRZSA-N 2 0 283.213 2.457 10 0 CEAERP CC1(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C1 ZINC000311212418 276115510 /nfs/dbraw/zinc/11/55/10/276115510.db2.gz LMMDZWMMLJLHSD-KGLIPLIRSA-N 2 0 254.418 2.002 10 0 CEAERP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000336314853 276160221 /nfs/dbraw/zinc/16/02/21/276160221.db2.gz FEKVLIHMRZZICB-GJZGRUSLSA-N 2 0 266.429 2.142 10 0 CEAERP CN1c2ccccc2[C@@H]([NH2+]CCCC[NH+](C)C)CC1=O ZINC000045664159 276783708 /nfs/dbraw/zinc/78/37/08/276783708.db2.gz SFQRIMWZHARRRR-AWEZNQCLSA-N 2 0 275.396 2.026 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1CC[NH+](C2CC2)CC1 ZINC000336813178 279133247 /nfs/dbraw/zinc/13/32/47/279133247.db2.gz BUEKRZYXFQJZLK-OAHLLOKOSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000134961084 280033693 /nfs/dbraw/zinc/03/36/93/280033693.db2.gz LESZEEYYOSRWGN-MRXNPFEDSA-N 2 0 297.487 2.488 10 0 CEAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250978759 280422788 /nfs/dbraw/zinc/42/27/88/280422788.db2.gz BCNGRVUWEZIURC-LYYZXLFJSA-N 2 0 266.429 2.048 10 0 CEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000237199927 289361973 /nfs/dbraw/zinc/36/19/73/289361973.db2.gz OBCZRPVQTLOVCS-ARFHVFGLSA-N 2 0 295.471 2.131 10 0 CEAERP [NH3+]C1CCC([NH2+]C[C@@H](c2ccco2)N2CCCC2)CC1 ZINC000094074806 295212372 /nfs/dbraw/zinc/21/23/72/295212372.db2.gz DTRWSAYZQVLQJK-NRXISQOPSA-N 2 0 277.412 2.276 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074600 519921123 /nfs/dbraw/zinc/92/11/23/519921123.db2.gz BMVLWHBCWUFUKJ-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[N@H+](CCOC)Cc1occc1C[NH2+]C(C)C ZINC000052542664 521138800 /nfs/dbraw/zinc/13/88/00/521138800.db2.gz GRWFCVFOIZFJLJ-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc(C)c(C[NH2+]CC)s1 ZINC000055000579 521658460 /nfs/dbraw/zinc/65/84/60/521658460.db2.gz OLVPPZLQTLBCPZ-UHFFFAOYSA-N 2 0 284.473 2.339 10 0 CEAERP C[NH2+]Cc1cc(CN2CC[NH+](CC(C)C)CC2)oc1C ZINC000055082746 522108464 /nfs/dbraw/zinc/10/84/64/522108464.db2.gz QVGNXKATCNNAIS-UHFFFAOYSA-N 2 0 279.428 2.081 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](CCN(C)C)CC(C)C)cc1 ZINC000052503383 522117164 /nfs/dbraw/zinc/11/71/64/522117164.db2.gz XSJUTLQFYPIRGT-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]C2CCCCC2)CC1 ZINC000055075143 522121649 /nfs/dbraw/zinc/12/16/49/522121649.db2.gz WCNHHDJLVLMJIK-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP C[C@H](NCCC[N@H+](C)Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400529335 533844135 /nfs/dbraw/zinc/84/41/35/533844135.db2.gz RDIKHXLMCOGRBN-RDJZCZTQSA-N 2 0 275.440 2.096 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@H](COCC[NH+]2CCCCC2)O1 ZINC000052671055 518762266 /nfs/dbraw/zinc/76/22/66/518762266.db2.gz RUMCICDBXLFXQT-HZPDHXFCSA-N 2 0 298.471 2.425 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NCCC[NH+]1CCCC1 ZINC000049555570 519340505 /nfs/dbraw/zinc/34/05/05/519340505.db2.gz SICQDTUEZRVOPU-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052883064 519615054 /nfs/dbraw/zinc/61/50/54/519615054.db2.gz RPWDEJDVRHFQRY-KRWDZBQOSA-N 2 0 291.439 2.097 10 0 CEAERP CC(C)C[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CC1 ZINC000052515775 519717327 /nfs/dbraw/zinc/71/73/27/519717327.db2.gz RRMSLJHENYVZMD-UHFFFAOYSA-N 2 0 293.459 2.287 10 0 CEAERP CC(C)[NH2+]C[C@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477504 519724361 /nfs/dbraw/zinc/72/43/61/519724361.db2.gz GMBUFFRJVKDUDV-OAHLLOKOSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077563 519727365 /nfs/dbraw/zinc/72/73/65/519727365.db2.gz CBBJEKZAXYQOER-HZPDHXFCSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccc(C[NH2+]C(C)C)cn2)CC1 ZINC000055082487 519728396 /nfs/dbraw/zinc/72/83/96/519728396.db2.gz QLOLEQFCPPEPBH-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCC1CCC([NH3+])CC1 ZINC000055138102 519775141 /nfs/dbraw/zinc/77/51/41/519775141.db2.gz JGCFGCDBGMIDGQ-GPANFISMSA-N 2 0 297.487 2.377 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N2CCC[C@H](C)[C@@H]2C)CC1 ZINC000050563974 519842378 /nfs/dbraw/zinc/84/23/78/519842378.db2.gz XVXDKVPDMNZEPU-GJZGRUSLSA-N 2 0 267.461 2.310 10 0 CEAERP CCC1CC[NH+](CCn2cc(C[NH2+]C(C)(C)C)nn2)CC1 ZINC000052347005 519859221 /nfs/dbraw/zinc/85/92/21/519859221.db2.gz ODHSRLXYCAIOEK-UHFFFAOYSA-N 2 0 293.459 2.288 10 0 CEAERP CCC[NH+]1CCN(c2ncc(C[NH2+]CC(C)C)s2)CC1 ZINC000054899170 519860802 /nfs/dbraw/zinc/86/08/02/519860802.db2.gz UDGBRPJKSXJXTE-UHFFFAOYSA-N 2 0 296.484 2.421 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CCC[C@@H]1C[NH+](C)C ZINC000061646450 519885099 /nfs/dbraw/zinc/88/50/99/519885099.db2.gz VOMDVMKUKDTTHD-CQSZACIVSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CC)CC(C)C)CCOCC1 ZINC000052181220 519912788 /nfs/dbraw/zinc/91/27/88/519912788.db2.gz GDHJDLWQGCAGFE-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[NH2+]CCC[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000055074327 519920300 /nfs/dbraw/zinc/92/03/00/519920300.db2.gz UVTPABQZARKEDQ-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000052515221 519921044 /nfs/dbraw/zinc/92/10/44/519921044.db2.gz DGWBAIXGWMTCMW-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+](C2CCCC2)CC1 ZINC000052573463 519921361 /nfs/dbraw/zinc/92/13/61/519921361.db2.gz ITDOFRQZQBELLV-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCC)C2CC2)O1 ZINC000052449227 519939226 /nfs/dbraw/zinc/93/92/26/519939226.db2.gz HBEPEUBKHQQUIT-HUUCEWRRSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]Cc1cc(N2CC[NH+](C(C)C)CC2)ccn1 ZINC000051446101 519946827 /nfs/dbraw/zinc/94/68/27/519946827.db2.gz GZYBPNFDFNTYMY-UHFFFAOYSA-N 2 0 276.428 2.112 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](CCOC)C1CC1 ZINC000052542405 519958560 /nfs/dbraw/zinc/95/85/60/519958560.db2.gz IXDZYXMTONEELK-UHFFFAOYSA-N 2 0 266.385 2.390 10 0 CEAERP CC[NH2+]C[C@H](C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061266151 519962338 /nfs/dbraw/zinc/96/23/38/519962338.db2.gz JRXGILWVTZMZMO-AWEZNQCLSA-N 2 0 283.460 2.003 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[NH+](CCC)CC2)nc1C ZINC000054968974 519975321 /nfs/dbraw/zinc/97/53/21/519975321.db2.gz GUVIEUCVMYSSJU-UHFFFAOYSA-N 2 0 296.484 2.483 10 0 CEAERP CC[NH2+]Cc1ccccc1C[NH+]1CCC(OC)CC1 ZINC000052455468 520005733 /nfs/dbraw/zinc/00/57/33/520005733.db2.gz KKRWIVRTYVWYJP-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1CN1CC[NH+](C2CC2)CC1 ZINC000053859758 520019829 /nfs/dbraw/zinc/01/98/29/520019829.db2.gz HORLJJZHGDZIRM-DOTOQJQBSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[NH2+][C@H](CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069075432 520083265 /nfs/dbraw/zinc/08/32/65/520083265.db2.gz IBNWIEFCEDFXHQ-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000054554795 520120950 /nfs/dbraw/zinc/12/09/50/520120950.db2.gz NUUAFNNKODKQGB-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H](CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000069074023 520197353 /nfs/dbraw/zinc/19/73/53/520197353.db2.gz VICSSWHTVUTUCW-QGZVFWFLSA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000054554520 520217463 /nfs/dbraw/zinc/21/74/63/520217463.db2.gz IXHORHZGTFOQOP-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cc(C)c(C[NH3+])o2)C1 ZINC000052372227 520319071 /nfs/dbraw/zinc/31/90/71/520319071.db2.gz KCEMSHAUKXSCGV-GFCCVEGCSA-N 2 0 252.358 2.048 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)[NH2+]CC)CC1 ZINC000061272786 520396548 /nfs/dbraw/zinc/39/65/48/520396548.db2.gz BEXIUQKLOSEDNN-OAHLLOKOSA-N 2 0 297.487 2.345 10 0 CEAERP CCCOc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062964542 520428379 /nfs/dbraw/zinc/42/83/79/520428379.db2.gz IPYSEIBBOYVHPL-RDJZCZTQSA-N 2 0 291.439 2.111 10 0 CEAERP CCCC[N@H+](CCC[C@@](C)([NH2+]C(C)C)C(N)=O)C1CC1 ZINC000045421786 520509277 /nfs/dbraw/zinc/50/92/77/520509277.db2.gz IVSKZCWMIHNRBE-MRXNPFEDSA-N 2 0 283.460 2.273 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1ccc(CC)cc1 ZINC000062740934 520515810 /nfs/dbraw/zinc/51/58/10/520515810.db2.gz JXUSWHMVESWAPJ-INIZCTEOSA-N 2 0 264.413 2.435 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000062741202 520515845 /nfs/dbraw/zinc/51/58/45/520515845.db2.gz CCTZMCULWWBDKZ-LSDHHAIUSA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000068878915 520637594 /nfs/dbraw/zinc/63/75/94/520637594.db2.gz SMVZWOXBMVIFQW-WDEREUQCSA-N 2 0 270.339 2.010 10 0 CEAERP CC[NH+](CC)CCc1nccc(C[NH2+]CC(C)C)n1 ZINC000054792352 520713729 /nfs/dbraw/zinc/71/37/29/520713729.db2.gz XWAGDKCIUXWAPX-UHFFFAOYSA-N 2 0 264.417 2.107 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(CC[NH2+]CC2CCCC2)C1 ZINC000062974279 520847175 /nfs/dbraw/zinc/84/71/75/520847175.db2.gz YHZDLFKOFIXHSF-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000062967560 520849841 /nfs/dbraw/zinc/84/98/41/520849841.db2.gz DKRZRUQWUGUYOA-QLFBSQMISA-N 2 0 253.434 2.063 10 0 CEAERP CCC[C@@](C)(C[NH2+]C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081677 520909371 /nfs/dbraw/zinc/90/93/71/520909371.db2.gz SSQYNDTVHDEOHO-INIZCTEOSA-N 2 0 269.477 2.286 10 0 CEAERP CCC[C@@](C)(C[NH3+])CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072091 520909109 /nfs/dbraw/zinc/90/91/09/520909109.db2.gz NEOLEMJFEKEOFU-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CCC[C@@]1(CN2CCC[N@@H+]3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000062943161 520958779 /nfs/dbraw/zinc/95/87/79/520958779.db2.gz SRKHFBSOZJIPPZ-IAGOWNOFSA-N 2 0 279.472 2.326 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CN2CCCC2)CC1 ZINC000049150130 521584604 /nfs/dbraw/zinc/58/46/04/521584604.db2.gz MAIUVULSZHBMSM-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000062999818 521585207 /nfs/dbraw/zinc/58/52/07/521585207.db2.gz PZTOTDDZCSPKQT-WMLDXEAASA-N 2 0 276.424 2.430 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075915 521596475 /nfs/dbraw/zinc/59/64/75/521596475.db2.gz QDPSDTIFAOTBNW-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP CCOC1CC[NH+](C[C@H]2CC[C@H](C[NH2+]C(C)C)O2)CC1 ZINC000052484088 521655891 /nfs/dbraw/zinc/65/58/91/521655891.db2.gz LANLARQSKYOCCU-HZPDHXFCSA-N 2 0 284.444 2.033 10 0 CEAERP CC[NH+]1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559454 521687377 /nfs/dbraw/zinc/68/73/77/521687377.db2.gz ZDLHGGDFHWONHB-OAGGEKHMSA-N 2 0 267.461 2.024 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1cccc(Cl)c1C[NH3+] ZINC000061641596 521844718 /nfs/dbraw/zinc/84/47/18/521844718.db2.gz QHNWRGROBNOXHW-NSHDSACASA-N 2 0 267.804 2.329 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1ccccc1C[NH2+]C1CC1 ZINC000061646025 521874718 /nfs/dbraw/zinc/87/47/18/521874718.db2.gz OLGQBSFMVPQDKA-MRXNPFEDSA-N 2 0 273.424 2.469 10 0 CEAERP C[NH2+]CC1(CN2CC[NH+](CC(C)C)CC2)CCCC1 ZINC000055081776 521968547 /nfs/dbraw/zinc/96/85/47/521968547.db2.gz ABTIAFIYLLNUGI-UHFFFAOYSA-N 2 0 267.461 2.040 10 0 CEAERP C[NH2+]C[C@@H](OCC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000052673724 522036636 /nfs/dbraw/zinc/03/66/36/522036636.db2.gz QZDZXFNMBNIVLH-JKSUJKDBSA-N 2 0 262.397 2.448 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]CCc2cccs2)CC1 ZINC000055075036 522120889 /nfs/dbraw/zinc/12/08/89/522120889.db2.gz DNRTZTORFGKRNM-OAHLLOKOSA-N 2 0 295.496 2.296 10 0 CEAERP C[NH2+]Cc1cccc(C[N@H+](CCN(C)C)CC(C)C)c1 ZINC000052503306 522128805 /nfs/dbraw/zinc/12/88/05/522128805.db2.gz CXXVPWIMUTZIED-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074478 522131017 /nfs/dbraw/zinc/13/10/17/522131017.db2.gz AQJKLJUBYVRJJV-GDBMZVCRSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)c(C[NH3+])n2)CC1 ZINC000055073558 522135002 /nfs/dbraw/zinc/13/50/02/522135002.db2.gz PPAISBFWPPQEON-LLVKDONJSA-N 2 0 282.819 2.114 10 0 CEAERP C[NH2+]Cc1nc(N2CC[NH+](CC(C)C)CC2)ccc1Cl ZINC000055082634 522154458 /nfs/dbraw/zinc/15/44/58/522154458.db2.gz LSQASMVOAFBHAZ-UHFFFAOYSA-N 2 0 296.846 2.232 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000055083005 522192024 /nfs/dbraw/zinc/19/20/24/522192024.db2.gz DOJYSRRUDSKICX-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573466 522192551 /nfs/dbraw/zinc/19/25/51/522192551.db2.gz XPRIAWFJBCEESK-OAHLLOKOSA-N 2 0 267.461 2.323 10 0 CEAERP CC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075905 522228727 /nfs/dbraw/zinc/22/87/27/522228727.db2.gz CYKROUVJHSLXJH-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082088 522376675 /nfs/dbraw/zinc/37/66/75/522376675.db2.gz VLJSJYWLVMIROR-HZPDHXFCSA-N 2 0 267.461 2.038 10 0 CEAERP CCc1nc(N2CC[NH+]([C@@H](C)CC)CC2)sc1C[NH2+]C ZINC000055076576 522385326 /nfs/dbraw/zinc/38/53/26/522385326.db2.gz FTCZXGWALLYABU-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049562082 522451208 /nfs/dbraw/zinc/45/12/08/522451208.db2.gz HOBUVBRLOBJDMB-CHWSQXEVSA-N 2 0 292.427 2.429 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](CC(C)C)CC1)c1ccccc1 ZINC000055078920 522467890 /nfs/dbraw/zinc/46/78/90/522467890.db2.gz RGTFWNZHHVVXKY-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)CN1CC[C@H]([NH+](C)C)C1 ZINC000062970208 522485018 /nfs/dbraw/zinc/48/50/18/522485018.db2.gz CDQGLYPUDIAQJS-PVAVHDDUSA-N 2 0 275.440 2.219 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643402 522485498 /nfs/dbraw/zinc/48/54/98/522485498.db2.gz HLGDMOCEUQNVMR-UAGQMJEPSA-N 2 0 275.440 2.362 10 0 CEAERP CC[C@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052447637 523028330 /nfs/dbraw/zinc/02/83/30/523028330.db2.gz IVSGLUFHVJCTKG-HNNXBMFYSA-N 2 0 293.459 2.431 10 0 CEAERP COCC[N@H+](C)CCNc1cc[nH+]c2ccccc12 ZINC000061379525 523617232 /nfs/dbraw/zinc/61/72/32/523617232.db2.gz NCZRSRLEEPXPED-UHFFFAOYSA-N 2 0 259.353 2.225 10 0 CEAERP C[N@@H+]1CCCN(Cc2ccoc2C[NH2+]C(C)(C)C)CC1 ZINC000052424420 523809046 /nfs/dbraw/zinc/80/90/46/523809046.db2.gz ALIJKLQEFIIDQM-UHFFFAOYSA-N 2 0 279.428 2.305 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CCOCc1csc(C[NH2+]C2CC2)n1 ZINC000052672787 523824522 /nfs/dbraw/zinc/82/45/22/523824522.db2.gz IXDWIIRRWXWLRF-CQSZACIVSA-N 2 0 295.452 2.396 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)Cc1occc1C[NH2+]C ZINC000052547260 523938976 /nfs/dbraw/zinc/93/89/76/523938976.db2.gz SMVZHMMEWABTKT-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]C(C)(C)CC)CC1 ZINC000055075106 523953084 /nfs/dbraw/zinc/95/30/84/523953084.db2.gz PRBXFJOMPCSNSN-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH2+]C2CC2)C(C)C)CC1 ZINC000055074482 523959182 /nfs/dbraw/zinc/95/91/82/523959182.db2.gz AQJKLJUBYVRJJV-GOEBONIOSA-N 2 0 267.461 2.179 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)s1 ZINC000061642757 524048363 /nfs/dbraw/zinc/04/83/63/524048363.db2.gz BMJCBPRYOBFNFA-OCCSQVGLSA-N 2 0 281.469 2.336 10 0 CEAERP C[NH+](C)CC1CCN(c2ccc(C(N)=[NH2+])cc2Cl)CC1 ZINC000062794204 524050243 /nfs/dbraw/zinc/05/02/43/524050243.db2.gz FVRXFASJWUDSDS-UHFFFAOYSA-N 2 0 294.830 2.402 10 0 CEAERP C[C@H]1CCC[C@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125538 524177313 /nfs/dbraw/zinc/17/73/13/524177313.db2.gz JEGDVSPHMBXHHZ-YHUYYLMFSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NC1=[NH+]C(C)(C)CS1 ZINC000049502347 524330422 /nfs/dbraw/zinc/33/04/22/524330422.db2.gz RQQMFIWGOSEPEJ-LLVKDONJSA-N 2 0 255.431 2.332 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ccc2c(c1)OCCCO2 ZINC000070178832 524672662 /nfs/dbraw/zinc/67/26/62/524672662.db2.gz SHKQDBGSMTXJAL-UKRRQHHQSA-N 2 0 290.407 2.407 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642030 525006654 /nfs/dbraw/zinc/00/66/54/525006654.db2.gz LVLGGOQHMIGVFK-BMFZPTHFSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N1CCC[C@@H]1C[NH+](C)C ZINC000061642186 525007320 /nfs/dbraw/zinc/00/73/20/525007320.db2.gz QDZGLMZLXZSXTL-IOASZLSFSA-N 2 0 279.403 2.240 10 0 CEAERP COc1ccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641935 525211330 /nfs/dbraw/zinc/21/13/30/525211330.db2.gz QXXZADYBFPODKV-YSVLISHTSA-N 2 0 291.439 2.110 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643508 525363503 /nfs/dbraw/zinc/36/35/03/525363503.db2.gz UVUNYIUQGLRHSY-YSVLISHTSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN1CC[C@H]([NH+](C)C)C1 ZINC000062970060 525366720 /nfs/dbraw/zinc/36/67/20/525366720.db2.gz BDFLKPYNKJBWTF-HOCLYGCPSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1cc([C@@H](C[NH3+])N2CCC([NH+](C)C)CC2)ccc1F ZINC000050546106 525481199 /nfs/dbraw/zinc/48/11/99/525481199.db2.gz VKGCBTIMQFKDFA-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP c1ccc2c(c1)C[NH+](C[C@H]1CC[C@@H](C[NH2+]C3CC3)O1)C2 ZINC000052374529 526506023 /nfs/dbraw/zinc/50/60/23/526506023.db2.gz YFUKXRXESIJFJR-DLBZAZTESA-N 2 0 272.392 2.302 10 0 CEAERP [NH3+]CC1(C[N@H+](Cc2cccs2)C2CC2)CCOCC1 ZINC000052197929 527163913 /nfs/dbraw/zinc/16/39/13/527163913.db2.gz TYHFGSKKOKEYMT-UHFFFAOYSA-N 2 0 280.437 2.468 10 0 CEAERP [NH3+]C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062977782 527207128 /nfs/dbraw/zinc/20/71/28/527207128.db2.gz BWOAPCJVUONKMO-IRXDYDNUSA-N 2 0 291.414 2.386 10 0 CEAERP [NH3+]Cc1ncccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000061656608 527265281 /nfs/dbraw/zinc/26/52/81/527265281.db2.gz VEYUGZIEDRHDLU-INIZCTEOSA-N 2 0 268.364 2.272 10 0 CEAERP [NH3+]Cc1sc(N2CC[C@H]([NH+]3CCCC3)C2)nc1C1CC1 ZINC000069182621 527268845 /nfs/dbraw/zinc/26/88/45/527268845.db2.gz MWBJIELBFVVJMZ-LBPRGKRZSA-N 2 0 292.452 2.154 10 0 CEAERP [NH3+][C@H]1CCc2c1cccc2OCCC[NH+]1CCCC1 ZINC000062798244 527416861 /nfs/dbraw/zinc/41/68/61/527416861.db2.gz IKOCMAIPDUELLG-HNNXBMFYSA-N 2 0 260.381 2.497 10 0 CEAERP COc1cccc(N2CC[NH+]([C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000093221024 537125353 /nfs/dbraw/zinc/12/53/53/537125353.db2.gz FGIJYTKFOHOSAC-HUUCEWRRSA-N 2 0 289.423 2.087 10 0 CEAERP CC(C)(C)[C@@H]1CCOC2(CC[NH+](C3CC3)CC2)[NH2+]1 ZINC000757140409 622874762 /nfs/dbraw/zinc/87/47/62/622874762.db2.gz LXQSXQRKUPXCDA-ZDUSSCGKSA-N 2 0 252.402 2.366 10 0 CEAERP OC[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261765415 629187007 /nfs/dbraw/zinc/18/70/07/629187007.db2.gz MUELBUYCAXBBJT-SJLPKXTDSA-N 2 0 288.435 2.012 10 0 CEAERP CC(C)CCN(C1CC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000096889379 185124220 /nfs/dbraw/zinc/12/42/20/185124220.db2.gz IABAVGNKDHOCFA-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000234777538 293095068 /nfs/dbraw/zinc/09/50/68/293095068.db2.gz OJEZXWUFHOTTLS-CGAUPDFVSA-N 2 0 266.429 2.155 10 0 CEAERP COCc1ccc([C@H](C[NH3+])CC[NH2+]C(C)C)cc1 ZINC000725263522 539212304 /nfs/dbraw/zinc/21/23/04/539212304.db2.gz NFDVXMCGDQPGDP-HNNXBMFYSA-N 2 0 250.386 2.263 10 0 CEAERP CCC1(CC)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@H]1OC ZINC000245869411 539313138 /nfs/dbraw/zinc/31/31/38/539313138.db2.gz JDUQZKIGTCEBOC-BZUAXINKSA-N 2 0 298.471 2.017 10 0 CEAERP CCC[NH2+][C@@H](C)C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000084392616 178879933 /nfs/dbraw/zinc/87/99/33/178879933.db2.gz QOWRCCMBWIFDAO-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP c1ccc(CN2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000133847818 232214019 /nfs/dbraw/zinc/21/40/19/232214019.db2.gz UTOCBQHCPAXJMO-QZTJIDSGSA-N 2 0 287.451 2.383 10 0 CEAERP C[C@H](CC[NH+](C)C)n1c2c(nc1C(F)(F)F)C[NH2+]CC2 ZINC000085573491 179097895 /nfs/dbraw/zinc/09/78/95/179097895.db2.gz NKAUIOWENWOIJZ-SECBINFHSA-N 2 0 290.333 2.060 10 0 CEAERP C[N@@H+]1CCC[C@H](n2c3c(nc2C2CCCC2)C[NH2+]CC3)C1 ZINC000085606873 179100011 /nfs/dbraw/zinc/10/00/11/179100011.db2.gz BLEPIFPDBLKDDM-AWEZNQCLSA-N 2 0 288.439 2.453 10 0 CEAERP CCC1(CC)C[N@H+](CCn2ccnc2C)CCC[NH2+]1 ZINC000085617444 179104277 /nfs/dbraw/zinc/10/42/77/179104277.db2.gz RZWRPTWUQQXGLZ-UHFFFAOYSA-N 2 0 264.417 2.046 10 0 CEAERP Cn1c2ccccc2nc1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129327768 365847874 /nfs/dbraw/zinc/84/78/74/365847874.db2.gz NFYXFTQUOPOWDT-HNNXBMFYSA-N 2 0 258.369 2.375 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1C[NH3+])[NH+]1[C@@H](C)CC[C@@H]1C ZINC000085810300 179177351 /nfs/dbraw/zinc/17/73/51/179177351.db2.gz NOWVNCFNVKVNKQ-AVGNSLFASA-N 2 0 275.396 2.345 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000085973020 179207474 /nfs/dbraw/zinc/20/74/74/179207474.db2.gz ABLANVDGBDXWMY-BMFZPTHFSA-N 2 0 268.445 2.248 10 0 CEAERP C[N@@H+]1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085986003 179211697 /nfs/dbraw/zinc/21/16/97/179211697.db2.gz PJJHFVZIKHLDTE-KKUMJFAQSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+]C3(CCCC3)C2)CC1 ZINC000086144497 179237864 /nfs/dbraw/zinc/23/78/64/179237864.db2.gz ATOPDALNRAZWEP-UHFFFAOYSA-N 2 0 265.445 2.079 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C2CC[NH+](C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086153963 179241451 /nfs/dbraw/zinc/24/14/51/179241451.db2.gz ZDXYLNZSKYXPPC-DZKIICNBSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182731 179247388 /nfs/dbraw/zinc/24/73/88/179247388.db2.gz WDEUUCCBASSKTH-GVDBMIGSSA-N 2 0 279.472 2.179 10 0 CEAERP C[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@H](c2ccccc2)CN1 ZINC000086174281 179245638 /nfs/dbraw/zinc/24/56/38/179245638.db2.gz UYIQENLLVUPAOZ-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[C@H]1CN(CC2CC[NH+](CC)CC2)CC[NH2+]1 ZINC000086145696 179239167 /nfs/dbraw/zinc/23/91/67/179239167.db2.gz OJXWZAMVKQJFNF-GOEBONIOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086223050 179250699 /nfs/dbraw/zinc/25/06/99/179250699.db2.gz ZGZJMZZFXPGLFE-SOUVJXGZSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223148 179251655 /nfs/dbraw/zinc/25/16/55/179251655.db2.gz NBFPUDZFMMRNHI-NUJGCVRESA-N 2 0 287.451 2.147 10 0 CEAERP C[C@@H]1C[NH2+][C@](C)(c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223986 179253724 /nfs/dbraw/zinc/25/37/24/179253724.db2.gz MGPTTXKCUUSMIR-NXHRZFHOSA-N 2 0 287.451 2.290 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182505 179247754 /nfs/dbraw/zinc/24/77/54/179247754.db2.gz JGXJSVUJPBGYMN-KZNAEPCWSA-N 2 0 291.483 2.179 10 0 CEAERP CC[C@@H]1CN[C@@H](C2CC2)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259159 179257878 /nfs/dbraw/zinc/25/78/78/179257878.db2.gz FJDUOXKXZZCJMJ-IAGOWNOFSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H](C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291436 179265215 /nfs/dbraw/zinc/26/52/15/179265215.db2.gz QSLSKMQMGJRCST-HOCLYGCPSA-N 2 0 267.461 2.038 10 0 CEAERP C1CCC2(C1)CN([C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCC[NH2+]2 ZINC000086290609 179265240 /nfs/dbraw/zinc/26/52/40/179265240.db2.gz HIYMAXAGUJWZLT-JKSUJKDBSA-N 2 0 277.456 2.221 10 0 CEAERP CC(C)(C)[C@H]1C[N@H+](CCc2ccccn2)CCC[NH2+]1 ZINC000086288188 179264454 /nfs/dbraw/zinc/26/44/54/179264454.db2.gz XNSRYPMAXQESFA-OAHLLOKOSA-N 2 0 261.413 2.334 10 0 CEAERP CC(C)(C)[C@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288739 179264819 /nfs/dbraw/zinc/26/48/19/179264819.db2.gz FPJLJEDRFVPGJN-OAHLLOKOSA-N 2 0 261.413 2.334 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086255870 179256912 /nfs/dbraw/zinc/25/69/12/179256912.db2.gz PKAZJXJEENDGQO-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259205 179257546 /nfs/dbraw/zinc/25/75/46/179257546.db2.gz ZFLSCRZRLAVYLQ-BPQIPLTHSA-N 2 0 293.499 2.427 10 0 CEAERP CO[C@H]1CCC[C@@H]1[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000086293535 179267697 /nfs/dbraw/zinc/26/76/97/179267697.db2.gz GDVFXJXNYGERHL-KBPBESRZSA-N 2 0 252.402 2.162 10 0 CEAERP CO[C@H]1CCC[C@H]1[N@@H+]1CCC[NH2+][C@](C)(C2CC2)C1 ZINC000086293548 179267998 /nfs/dbraw/zinc/26/79/98/179267998.db2.gz DGYFHYMJVYPKDD-ILXRZTDVSA-N 2 0 252.402 2.018 10 0 CEAERP C[NH2+][C@@H]1CCCc2sc(N(C)CCC[NH+](C)C)nc21 ZINC000086444204 179293901 /nfs/dbraw/zinc/29/39/01/179293901.db2.gz GFCFONXEZZPTJY-LLVKDONJSA-N 2 0 282.457 2.128 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2nc3c(s2)CCC[C@@H]3[NH3+])C1 ZINC000086444082 179293999 /nfs/dbraw/zinc/29/39/99/179293999.db2.gz XBXMALNLLDDBBE-NEPJUHHUSA-N 2 0 294.468 2.400 10 0 CEAERP CC[NH2+][C@@H]1CCCc2sc(N(C)CC[NH+](C)C)nc21 ZINC000086444192 179294182 /nfs/dbraw/zinc/29/41/82/179294182.db2.gz KRGVEQOHQKQEGI-LLVKDONJSA-N 2 0 282.457 2.128 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000086817226 179345058 /nfs/dbraw/zinc/34/50/58/179345058.db2.gz GRZHGVURSRMQLL-CQSZACIVSA-N 2 0 276.380 2.032 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccc(F)cc2)CC1 ZINC000086847491 179356217 /nfs/dbraw/zinc/35/62/17/179356217.db2.gz GILHYDXWNULOHQ-QGZVFWFLSA-N 2 0 293.430 2.461 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847731 179356517 /nfs/dbraw/zinc/35/65/17/179356517.db2.gz QRKRPUPEQPXNHD-IRXDYDNUSA-N 2 0 297.487 2.079 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000086848735 179356638 /nfs/dbraw/zinc/35/66/38/179356638.db2.gz QYIUCPSWTHYESY-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2F)CC1 ZINC000086848374 179357313 /nfs/dbraw/zinc/35/73/13/179357313.db2.gz VQGKUKRLGZDIHQ-INIZCTEOSA-N 2 0 279.403 2.465 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](C(C)C)C2)CC1 ZINC000086842365 179352757 /nfs/dbraw/zinc/35/27/57/179352757.db2.gz VWUJMZKVWXOCMM-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccncc2)CC1 ZINC000086840961 179353697 /nfs/dbraw/zinc/35/36/97/179353697.db2.gz JHQMJMUISODJRD-MRXNPFEDSA-N 2 0 261.413 2.478 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2)CC1 ZINC000086846217 179355608 /nfs/dbraw/zinc/35/56/08/179355608.db2.gz WXOPVYAWSFCMMY-INIZCTEOSA-N 2 0 261.413 2.326 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846733 179355686 /nfs/dbraw/zinc/35/56/86/179355686.db2.gz KGLLWVMXSNYLMD-MRXNPFEDSA-N 2 0 267.461 2.453 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCC(C)CC2)CC1 ZINC000086846121 179355710 /nfs/dbraw/zinc/35/57/10/179355710.db2.gz MHOWVAIDGOGZQX-MRXNPFEDSA-N 2 0 267.461 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC(C)(C)C2)CC1 ZINC000086848886 179357973 /nfs/dbraw/zinc/35/79/73/179357973.db2.gz IGHBEORIHQRFML-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP C1C[NH2+][C@@H](C2CC[NH+]([C@H]3CCCOCC3)CC2)C1 ZINC000086876873 179365450 /nfs/dbraw/zinc/36/54/50/179365450.db2.gz LFLLCMQJYANXEW-LSDHHAIUSA-N 2 0 252.402 2.020 10 0 CEAERP CCC[C@H]1CCC[C@](C[NH3+])(N2CC[NH+](C)CC2)CC1 ZINC000086947885 179368387 /nfs/dbraw/zinc/36/83/87/179368387.db2.gz DZTFRXVFJYZKHJ-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@H]1CCC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950409 179369105 /nfs/dbraw/zinc/36/91/05/179369105.db2.gz DMDVTWTUACRDFH-DLBZAZTESA-N 2 0 281.488 2.428 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016108 179380051 /nfs/dbraw/zinc/38/00/51/179380051.db2.gz CAMQJCJGAAOMAN-AWEZNQCLSA-N 2 0 254.418 2.146 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016110 179380127 /nfs/dbraw/zinc/38/01/27/179380127.db2.gz CAMQJCJGAAOMAN-CQSZACIVSA-N 2 0 254.418 2.146 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000128857518 187395023 /nfs/dbraw/zinc/39/50/23/187395023.db2.gz QTAKZBYVKPPTPU-LSDHHAIUSA-N 3 0 255.450 2.229 10 0 CEAERP C[NH2+]C1(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)CCCCC1 ZINC000087577472 179449163 /nfs/dbraw/zinc/44/91/63/179449163.db2.gz RLNPDFRYUVJXRG-OAHLLOKOSA-N 2 0 297.487 2.391 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000088277961 179574582 /nfs/dbraw/zinc/57/45/82/179574582.db2.gz JSTKTDYRJQBYGM-CYBMUJFWSA-N 2 0 297.487 2.423 10 0 CEAERP C[C@H]1CC[C@H](C)[N@H+](CCn2cc(C[NH2+]C(C)(C)C)nn2)C1 ZINC000088711511 179655200 /nfs/dbraw/zinc/65/52/00/179655200.db2.gz AJKFACSRPCLAPX-KBPBESRZSA-N 2 0 293.459 2.287 10 0 CEAERP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369574 233177199 /nfs/dbraw/zinc/17/71/99/233177199.db2.gz TUTXEYQYSFFBPX-RYQLBKOJSA-N 2 0 287.451 2.096 10 0 CEAERP COCC1CC[NH+](C[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000089402902 179782081 /nfs/dbraw/zinc/78/20/81/179782081.db2.gz UPMLWMVDOKLKQI-LSDHHAIUSA-N 2 0 254.418 2.110 10 0 CEAERP [NH3+]C[C@@]1(C[NH+]2CCC3(CCCC3)CC2)CCCOC1 ZINC000104323202 185969351 /nfs/dbraw/zinc/96/93/51/185969351.db2.gz IGPUECGDPPACNF-MRXNPFEDSA-N 2 0 266.429 2.398 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[NH2+]C1CCCCCC1 ZINC000090566254 180005588 /nfs/dbraw/zinc/00/55/88/180005588.db2.gz HQDCHPXOOOMKEK-UKRRQHHQSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CC(C)C)C(C)C ZINC000090566552 180006360 /nfs/dbraw/zinc/00/63/60/180006360.db2.gz DVTZMSGUCOIBGH-LSDHHAIUSA-N 2 0 256.434 2.367 10 0 CEAERP [NH3+]C1(Cc2ccccc2OC(F)(F)F)CC[NH2+]CC1 ZINC000090587487 180009260 /nfs/dbraw/zinc/00/92/60/180009260.db2.gz KDSLZVOQRWPBKN-UHFFFAOYSA-N 2 0 274.286 2.209 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090620785 180014197 /nfs/dbraw/zinc/01/41/97/180014197.db2.gz SOAOUNGTAUKGHL-DZGCQCFKSA-N 2 0 254.418 2.108 10 0 CEAERP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694631 180025948 /nfs/dbraw/zinc/02/59/48/180025948.db2.gz BXTVWJXQHWTYIB-XJKSGUPXSA-N 2 0 295.471 2.144 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@@H]2Cc3ccccc3O2)CC1 ZINC000090875339 180051331 /nfs/dbraw/zinc/05/13/31/180051331.db2.gz JADUECZETJERBK-HNNXBMFYSA-N 2 0 260.381 2.051 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)O2 ZINC000090896664 180057071 /nfs/dbraw/zinc/05/70/71/180057071.db2.gz BWDPBAUHJCOAIN-CZUORRHYSA-N 2 0 274.408 2.358 10 0 CEAERP COc1ccc([C@H](C)[NH3+])cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906163 180060760 /nfs/dbraw/zinc/06/07/60/180060760.db2.gz NNIAEEIEMOXUHI-TUKIKUTGSA-N 2 0 276.380 2.078 10 0 CEAERP CCOc1ccc([C@@H](C)[NH3+])cc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000090906015 180061087 /nfs/dbraw/zinc/06/10/87/180061087.db2.gz XQLFBDPQGGHHED-WQVCFCJDSA-N 2 0 290.407 2.468 10 0 CEAERP CC(=O)Nc1ccsc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000090960500 180075343 /nfs/dbraw/zinc/07/53/43/180075343.db2.gz LGNMUXVMLCNNAA-UHFFFAOYSA-N 2 0 281.425 2.138 10 0 CEAERP CC(C)[N@@H+]1CCO[C@H](Cn2cccc2C[NH2+]C(C)(C)C)C1 ZINC000091001574 180083217 /nfs/dbraw/zinc/08/32/17/180083217.db2.gz ARMMAIJILTXWPG-INIZCTEOSA-N 2 0 293.455 2.485 10 0 CEAERP c1[nH]c2ncccc2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000091017016 180086786 /nfs/dbraw/zinc/08/67/86/180086786.db2.gz FCHSKCOSKKLJKG-GFCCVEGCSA-N 2 0 270.380 2.137 10 0 CEAERP CCC[C@@H](C[NH3+])[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000669376913 539757999 /nfs/dbraw/zinc/75/79/99/539757999.db2.gz BACVTAJZFUQJBN-IRXDYDNUSA-N 2 0 276.424 2.389 10 0 CEAERP CCN(CC)C(=O)C[C@H](CN)[NH+]1CCC(C)(CC)CC1 ZINC000091322907 180134567 /nfs/dbraw/zinc/13/45/67/180134567.db2.gz SMHRQOYXAJPQRP-CQSZACIVSA-N 2 0 283.460 2.084 10 0 CEAERP C([C@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000091362500 180141778 /nfs/dbraw/zinc/14/17/78/180141778.db2.gz BTWUUERZURCVRR-UXLLHSPISA-N 2 0 277.456 2.077 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091431870 180153607 /nfs/dbraw/zinc/15/36/07/180153607.db2.gz RQCRWBWUVHBQLU-HNNXBMFYSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]CCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091430840 180153773 /nfs/dbraw/zinc/15/37/73/180153773.db2.gz UINPLEOOCNNMGH-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(Cc2c3ccccc3oc2C[NH3+])C1 ZINC000091431927 180153904 /nfs/dbraw/zinc/15/39/04/180153904.db2.gz PZHQFXMMOQJEBC-CYBMUJFWSA-N 2 0 287.407 2.418 10 0 CEAERP CSC1(C[NH3+])CC[NH+](CCC[C@H]2CCCO2)CC1 ZINC000091472978 180165707 /nfs/dbraw/zinc/16/57/07/180165707.db2.gz PFSOZGQHGUJLSD-ZDUSSCGKSA-N 2 0 272.458 2.102 10 0 CEAERP C[N@H+](CC1CC(O)C1)C[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489781 180168729 /nfs/dbraw/zinc/16/87/29/180168729.db2.gz RIPMTDSZYHTXTE-ABSNHQIMSA-N 2 0 282.472 2.479 10 0 CEAERP CC[NH2+]CC(CC)(CC)C[N@H+](C)CC1CC(O)C1 ZINC000091489577 180169081 /nfs/dbraw/zinc/16/90/81/180169081.db2.gz HEXGHZMQZLLUCM-UHFFFAOYSA-N 2 0 256.434 2.105 10 0 CEAERP C[N@H+](CC1CC(O)C1)C[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000091489780 180169321 /nfs/dbraw/zinc/16/93/21/180169321.db2.gz RIPMTDSZYHTXTE-BJWPUDQFSA-N 2 0 282.472 2.479 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392033 180144633 /nfs/dbraw/zinc/14/46/33/180144633.db2.gz USJRZZVNAUPWKU-RYQLBKOJSA-N 2 0 287.451 2.288 10 0 CEAERP COc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393570 180145284 /nfs/dbraw/zinc/14/52/84/180145284.db2.gz PWBYVGCZEHKIER-ZQIUZPCESA-N 2 0 291.439 2.110 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393895 180145608 /nfs/dbraw/zinc/14/56/08/180145608.db2.gz ZBRUQMNIVFIXJW-HOCLYGCPSA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@@]1(CN2CCC[C@H]([NH+](C)C)C2)CCC[NH2+]C1 ZINC000091395105 180146079 /nfs/dbraw/zinc/14/60/79/180146079.db2.gz SXOFIUHKDNYTKS-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC(C)(C)[C@H](C)[NH2+]C)CC1 ZINC000091404668 180147242 /nfs/dbraw/zinc/14/72/42/180147242.db2.gz PRKSOUSUYKABIU-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[N@H+](CCCO)C(C)C ZINC000091404449 180147485 /nfs/dbraw/zinc/14/74/85/180147485.db2.gz JBRGBKDXEUXVNL-AWEZNQCLSA-N 2 0 258.450 2.494 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000091404612 180147630 /nfs/dbraw/zinc/14/76/30/180147630.db2.gz VCGRTEZFQDQUAK-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](Cc1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091641135 180213523 /nfs/dbraw/zinc/21/35/23/180213523.db2.gz YBZYAUJGSVEHOC-INIZCTEOSA-N 2 0 290.455 2.349 10 0 CEAERP C[C@H]1CCC[C@](C(=O)Cc2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650335 180216552 /nfs/dbraw/zinc/21/65/52/180216552.db2.gz VZYFCEVRQGTGGM-LRDDRELGSA-N 2 0 275.396 2.286 10 0 CEAERP CCC1CCC([C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720787 180234991 /nfs/dbraw/zinc/23/49/91/180234991.db2.gz XCGRWYYOCQWLMO-PEHJNBARSA-N 2 0 266.429 2.393 10 0 CEAERP CC1CCC([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091720769 180235388 /nfs/dbraw/zinc/23/53/88/180235388.db2.gz VABSKJUTVJNLQA-IFOPZJACSA-N 2 0 252.402 2.003 10 0 CEAERP Cc1ccc(C[C@H]([NH3+])[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720551 180236838 /nfs/dbraw/zinc/23/68/38/180236838.db2.gz PEILIJWRDLGPCX-IXDOHACOSA-N 2 0 274.408 2.036 10 0 CEAERP [NH3+][C@H](Cc1ccc(F)cc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720714 180237124 /nfs/dbraw/zinc/23/71/24/180237124.db2.gz ABOJJBXGTZELKL-YUELXQCFSA-N 2 0 298.789 2.212 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCCCC[C@@H]1O ZINC000091850737 180272325 /nfs/dbraw/zinc/27/23/25/180272325.db2.gz XIUXNPXDBMXNEF-CVSAEHQPSA-N 2 0 254.418 2.272 10 0 CEAERP CC[N@H+](CC(=O)Nc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850760 180272337 /nfs/dbraw/zinc/27/23/37/180272337.db2.gz NRHSDKSEUIXRKT-UHFFFAOYSA-N 2 0 275.396 2.217 10 0 CEAERP CCC[N@H+](C[C@H](C)C(=O)OCC)C1CCC([NH3+])CC1 ZINC000091852400 180272629 /nfs/dbraw/zinc/27/26/29/180272629.db2.gz DASXJJCJZZAXNH-HSBZDZAISA-N 2 0 270.417 2.168 10 0 CEAERP CCC[N@H+](CC(=O)N1CCC(C)CC1)C1CCC([NH3+])CC1 ZINC000091852273 180273105 /nfs/dbraw/zinc/27/31/05/180273105.db2.gz GJSDLTDFXKUMSI-UHFFFAOYSA-N 2 0 295.471 2.227 10 0 CEAERP C[N@H+](Cc1c[nH]c2ncccc12)C1CCC([NH3+])CC1 ZINC000091844725 180269413 /nfs/dbraw/zinc/26/94/13/180269413.db2.gz YTLDEEWLCWOLKG-UHFFFAOYSA-N 2 0 258.369 2.265 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000091849707 180271129 /nfs/dbraw/zinc/27/11/29/180271129.db2.gz CEYQEBPFBSZUCS-OZEOOWDWSA-N 2 0 265.445 2.203 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H]2CCCCC[C@@H]2O)CC1 ZINC000091870511 180277150 /nfs/dbraw/zinc/27/71/50/180277150.db2.gz DXVAHWFBOJTRRM-WUCCLRPBSA-N 2 0 254.418 2.142 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)C[C@@H](O)c2ccccc2)CC1 ZINC000091870677 180277443 /nfs/dbraw/zinc/27/74/43/180277443.db2.gz FSJWGNTYBLMJCG-UYSNPLJNSA-N 2 0 262.397 2.182 10 0 CEAERP CCN(CC)C(=O)CCC[N@H+](C)C1CCC([NH2+]C)CC1 ZINC000091872787 180278235 /nfs/dbraw/zinc/27/82/35/180278235.db2.gz JNRUNIOLYUISFW-UHFFFAOYSA-N 2 0 283.460 2.097 10 0 CEAERP CC(C)[NH2+]C[C@@]1(C[N@@H+]2C[C@H](C)[C@H](C)C2)CCCOC1 ZINC000092088486 180321001 /nfs/dbraw/zinc/32/10/01/180321001.db2.gz BJSMEKCWCJBVEQ-OWCLPIDISA-N 2 0 268.445 2.369 10 0 CEAERP C[NH+](C)CCC[NH2+]C[C@H]1Cc2ccccc2S1 ZINC000092242247 180351415 /nfs/dbraw/zinc/35/14/15/180351415.db2.gz DNFDUIFBQCWVNV-CYBMUJFWSA-N 2 0 250.411 2.245 10 0 CEAERP C[N@H+](C[C@H]1COc2ccccc21)C1CCC([NH3+])CC1 ZINC000092298088 180358519 /nfs/dbraw/zinc/35/85/19/180358519.db2.gz QGJQLHQIVYLVPX-HSBZDZAISA-N 2 0 260.381 2.364 10 0 CEAERP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092302667 180359615 /nfs/dbraw/zinc/35/96/15/180359615.db2.gz WSHKLUWICLXPPS-UONOGXRCSA-N 2 0 260.381 2.094 10 0 CEAERP CCCCC[C@@](C)(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000106024612 186098920 /nfs/dbraw/zinc/09/89/20/186098920.db2.gz HERBGLGECPBVBR-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000092402489 180377873 /nfs/dbraw/zinc/37/78/73/180377873.db2.gz QHKRWPHJUSYDQY-NWDGAFQWSA-N 2 0 255.431 2.188 10 0 CEAERP C[N@H+](Cc1cc(Cl)ccn1)C1CCC([NH3+])CC1 ZINC000092417410 180381095 /nfs/dbraw/zinc/38/10/95/180381095.db2.gz NINJBNIHIYKWFN-UHFFFAOYSA-N 2 0 253.777 2.437 10 0 CEAERP Cc1cccc(C[N@H+](C)Cc2ccc(C[NH3+])cc2)n1 ZINC000092427869 180383425 /nfs/dbraw/zinc/38/34/25/180383425.db2.gz UFTARWKCFPCSKN-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP CC[NH2+][C@@H](C)[C@H](CC)c1nc(CC[NH+](CC)CC)no1 ZINC000109496138 186256320 /nfs/dbraw/zinc/25/63/20/186256320.db2.gz FMXPELBKZOQTGF-STQMWFEESA-N 2 0 282.432 2.446 10 0 CEAERP CC[NH+](CC)CCc1noc([C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000109495999 186256668 /nfs/dbraw/zinc/25/66/68/186256668.db2.gz KAKWEQCMVPCNLW-QWHCGFSZSA-N 2 0 280.416 2.329 10 0 CEAERP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2C[NH3+])C1 ZINC000109603757 186267501 /nfs/dbraw/zinc/26/75/01/186267501.db2.gz XGBGGPIXQLEHSN-ZDUSSCGKSA-N 2 0 294.370 2.060 10 0 CEAERP Cc1cccn2cc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)nc12 ZINC000110649651 186310361 /nfs/dbraw/zinc/31/03/61/186310361.db2.gz TVWGARQQIZRNNH-CYBMUJFWSA-N 2 0 272.396 2.202 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705198 186313782 /nfs/dbraw/zinc/31/37/82/186313782.db2.gz YQDXANILDQAXLV-WFASDCNBSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccs1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705139 186314156 /nfs/dbraw/zinc/31/41/56/186314156.db2.gz DIYIAOHSPUBUSE-DGCLKSJQSA-N 2 0 267.442 2.162 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110704880 186314288 /nfs/dbraw/zinc/31/42/88/186314288.db2.gz HEQGVQNTZNOXFU-ZFWWWQNUSA-N 2 0 261.413 2.101 10 0 CEAERP Cc1ccc(C)c([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000110711439 186316110 /nfs/dbraw/zinc/31/61/10/186316110.db2.gz WCESVDOIHQBCRX-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)c1ccc(C)cc1 ZINC000110717131 186316198 /nfs/dbraw/zinc/31/61/98/186316198.db2.gz OPUWLMVDQPJKGI-INIZCTEOSA-N 2 0 275.440 2.282 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110712160 186316323 /nfs/dbraw/zinc/31/63/23/186316323.db2.gz ZLSVEINZCXKXMK-INIZCTEOSA-N 2 0 275.440 2.275 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110712136 186316623 /nfs/dbraw/zinc/31/66/23/186316623.db2.gz XSIUFMONDQPZSI-HNNXBMFYSA-N 2 0 293.480 2.434 10 0 CEAERP CC[C@@H]1CN([C@@H]2CCCc3ccccc3[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715383 186316731 /nfs/dbraw/zinc/31/67/31/186316731.db2.gz YITXQXJMEQOPDG-NXHRZFHOSA-N 2 0 287.451 2.417 10 0 CEAERP CC[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000110741280 186318474 /nfs/dbraw/zinc/31/84/74/186318474.db2.gz LVCLFGRDKPWRJL-HOCLYGCPSA-N 2 0 289.423 2.019 10 0 CEAERP CC[C@@H]1CN(C[C@@](C)(C[NH2+]C)c2ccccc2)CC[N@@H+]1C ZINC000110746450 186318514 /nfs/dbraw/zinc/31/85/14/186318514.db2.gz HYBJXWSHWVGYRR-QZTJIDSGSA-N 2 0 289.467 2.190 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110744837 186318621 /nfs/dbraw/zinc/31/86/21/186318621.db2.gz ABGOXFZKUJUKPX-VYDXJSESSA-N 2 0 275.440 2.219 10 0 CEAERP CC[C@@H]1CN(CC(C)(C)C[NH2+]CC(C)C)CC[N@@H+]1C ZINC000110746642 186319413 /nfs/dbraw/zinc/31/94/13/186319413.db2.gz UBCAPFXQLSQEDP-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@H]1CN(CC[NH2+]Cc2sccc2C)CC[N@@H+]1C ZINC000110757493 186320618 /nfs/dbraw/zinc/32/06/18/186320618.db2.gz NRSKOZSNSPITMF-AWEZNQCLSA-N 2 0 281.469 2.172 10 0 CEAERP CCC(CC)[NH2+]C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757928 186320984 /nfs/dbraw/zinc/32/09/84/186320984.db2.gz GNRZWSKIKBLLRH-ZDUSSCGKSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+]C[C@](C)(CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000110747205 186321340 /nfs/dbraw/zinc/32/13/40/186321340.db2.gz SXKXHDFISKMARY-GOSISDBHSA-N 2 0 289.467 2.190 10 0 CEAERP CC[NH2+][C@@H](C)c1cccc(NC(=O)N(C)CC[NH+](C)C)c1 ZINC000111149640 186360635 /nfs/dbraw/zinc/36/06/35/186360635.db2.gz BYRNMTYTWDQRIM-ZDUSSCGKSA-N 2 0 292.427 2.382 10 0 CEAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)CCC[NH+](C)C ZINC000111151111 186361273 /nfs/dbraw/zinc/36/12/73/186361273.db2.gz XDMQFTLFQVOQTD-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N(C)CC[NH+](C)C ZINC000111134229 186356563 /nfs/dbraw/zinc/35/65/63/186356563.db2.gz MSUKMPGXKMOULC-IAGOWNOFSA-N 2 0 277.456 2.465 10 0 CEAERP C[NH2+]Cc1c(Cl)cccc1N(C)CCC[NH+](C)C ZINC000111140823 186357865 /nfs/dbraw/zinc/35/78/65/186357865.db2.gz ODXJDYHUJCGHDD-UHFFFAOYSA-N 2 0 269.820 2.447 10 0 CEAERP CCOc1ccc([C@H](C)[NH2+]C)cc1CN(C)CC[NH+](C)C ZINC000111134748 186358109 /nfs/dbraw/zinc/35/81/09/186358109.db2.gz XWULUMDTBOSHPW-AWEZNQCLSA-N 2 0 293.455 2.359 10 0 CEAERP CCCOc1ccc([C@@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136555 186358134 /nfs/dbraw/zinc/35/81/34/186358134.db2.gz BRBWMSFUAYCTAV-KRWDZBQOSA-N 2 0 293.455 2.359 10 0 CEAERP CN(CC[NH+](C)C)CC1(C[NH2+]C2CC2)CCCCC1 ZINC000111146622 186358222 /nfs/dbraw/zinc/35/82/22/186358222.db2.gz ZJGNSNAWVUENHY-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000111147286 186358630 /nfs/dbraw/zinc/35/86/30/186358630.db2.gz MUURZZPCXBHGLW-MRXNPFEDSA-N 2 0 281.419 2.360 10 0 CEAERP Cc1oc(C[NH2+]C2CC2)cc1CN(C)CCC[NH+](C)C ZINC000111150054 186359697 /nfs/dbraw/zinc/35/96/97/186359697.db2.gz RUOPBXIQMGTKEP-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CC(C)C[NH2+]Cc1occc1CN(C)CCC[NH+](C)C ZINC000111150115 186359891 /nfs/dbraw/zinc/35/98/91/186359891.db2.gz YUSFDSUPZQSHFQ-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CCC[C@@]1(C[N@H+](C)C[C@@H]2CCCOC2)CC[NH2+]C1 ZINC000111179202 186366330 /nfs/dbraw/zinc/36/63/30/186366330.db2.gz BNTLNGDSFCQZEX-LSDHHAIUSA-N 2 0 254.418 2.125 10 0 CEAERP CC1CC[NH+](C[C@@]2(C[NH2+]C3CC3)CCCOC2)CC1 ZINC000111323621 186396665 /nfs/dbraw/zinc/39/66/65/186396665.db2.gz NOURUZLSTQKKAQ-INIZCTEOSA-N 2 0 266.429 2.267 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[N@H+](C)C2CC2)CCCOC1 ZINC000111324703 186398220 /nfs/dbraw/zinc/39/82/20/186398220.db2.gz KVQUUSPWSNBNFQ-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@H+](C)C[C@@H]2CCCCO2)CCCOC1 ZINC000111326443 186398805 /nfs/dbraw/zinc/39/88/05/186398805.db2.gz ZYAGXVILLGYHCL-IRXDYDNUSA-N 2 0 298.471 2.282 10 0 CEAERP C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000111267031 186382629 /nfs/dbraw/zinc/38/26/29/186382629.db2.gz OLZVKNVVVJHJRY-DZGCQCFKSA-N 2 0 287.407 2.076 10 0 CEAERP C[C@@H]([NH3+])Cc1cc(F)ccc1N(C)CCC[NH+](C)C ZINC000111498470 186424810 /nfs/dbraw/zinc/42/48/10/186424810.db2.gz JMJOFQNZVLXRQW-GFCCVEGCSA-N 2 0 267.392 2.103 10 0 CEAERP Cc1cc(C[C@H](C)[NH3+])ccc1N(C)CC[NH+]1CCCC1 ZINC000111499814 186425176 /nfs/dbraw/zinc/42/51/76/186425176.db2.gz MCDYSULCGUVHCA-HNNXBMFYSA-N 2 0 275.440 2.417 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+]([C@@H](C)C(=O)NC(CC)CC)CC1 ZINC000111708892 186449117 /nfs/dbraw/zinc/44/91/17/186449117.db2.gz IQQYHPACGMDLCN-KBPBESRZSA-N 2 0 297.487 2.390 10 0 CEAERP CO[C@H]1C[N@H+](CCC2CCCCC2)[C@](C)(C[NH3+])C1 ZINC000630359947 351710610 /nfs/dbraw/zinc/71/06/10/351710610.db2.gz NVZOZTPOCDHLIC-CABCVRRESA-N 2 0 254.418 2.395 10 0 CEAERP C[NH+](C)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000093210230 539845262 /nfs/dbraw/zinc/84/52/62/539845262.db2.gz MDNJWIBKNIPSJV-JYJNAYRXSA-N 2 0 261.413 2.149 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000250818998 539968910 /nfs/dbraw/zinc/96/89/10/539968910.db2.gz FUOMMRUHGTYXRF-CAOSSQGBSA-N 2 0 266.429 2.456 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132287601 366132238 /nfs/dbraw/zinc/13/22/38/366132238.db2.gz HNJDVLZGXCOXFT-CYBMUJFWSA-N 2 0 250.361 2.266 10 0 CEAERP CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000153712582 283321665 /nfs/dbraw/zinc/32/16/65/283321665.db2.gz GLNPLEGWRTZYQN-ZFWWWQNUSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400442678 299321882 /nfs/dbraw/zinc/32/18/82/299321882.db2.gz MUONQSVPAZMOTE-UGUYLWEFSA-N 2 0 267.461 2.085 10 0 CEAERP CC[NH2+][C@@H](CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095091394 364338091 /nfs/dbraw/zinc/33/80/91/364338091.db2.gz BEJKLPBYVVOBGV-IRXDYDNUSA-N 2 0 276.424 2.259 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1 ZINC000120181845 365386094 /nfs/dbraw/zinc/38/60/94/365386094.db2.gz HALWSPCHPQLCIF-AWEZNQCLSA-N 2 0 276.384 2.338 10 0 CEAERP Cc1ccc(C)c(OCC[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000631842900 367584545 /nfs/dbraw/zinc/58/45/45/367584545.db2.gz HEUCPXNIENTIGG-CABCVRRESA-N 2 0 262.397 2.209 10 0 CEAERP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000185718729 368848523 /nfs/dbraw/zinc/84/85/23/368848523.db2.gz YJMAYIOVXYWBDX-OAHLLOKOSA-N 2 0 299.418 2.436 10 0 CEAERP C[C@H]1C[N@H+](Cc2cccc3c2OC(C)(C)C3)C[C@H]1C[NH3+] ZINC000634999024 369031723 /nfs/dbraw/zinc/03/17/23/369031723.db2.gz OZDFCFMVIMNFBE-SWLSCSKDSA-N 2 0 274.408 2.427 10 0 CEAERP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187820861 369229532 /nfs/dbraw/zinc/22/95/32/369229532.db2.gz JPEKDKKKDQWSSY-HOCLYGCPSA-N 2 0 294.414 2.193 10 0 CEAERP COc1ccc([C@@H](C)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194540673 370048687 /nfs/dbraw/zinc/04/86/87/370048687.db2.gz WMHNOCHDDYAIBU-CWRNSKLLSA-N 2 0 274.408 2.292 10 0 CEAERP C[C@@H]1CC[C@H]([NH3+])[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000252175161 371433233 /nfs/dbraw/zinc/43/32/33/371433233.db2.gz RWGGHNZHOXOURZ-NJAFHUGGSA-N 2 0 287.451 2.320 10 0 CEAERP OC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2 ZINC000257183838 371604692 /nfs/dbraw/zinc/60/46/92/371604692.db2.gz SJXXRRJFVYVZSF-CQSZACIVSA-N 2 0 294.826 2.134 10 0 CEAERP CCOc1cccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261581493 371661101 /nfs/dbraw/zinc/66/11/01/371661101.db2.gz GESGXVNZQWBSCS-IMJJTQAJSA-N 2 0 260.381 2.254 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cccc4cccnc43)C[C@H]12 ZINC000261721538 371710813 /nfs/dbraw/zinc/71/08/13/371710813.db2.gz KFYMQUMKPGFUSL-CWRNSKLLSA-N 2 0 267.376 2.404 10 0 CEAERP CCOc1ccc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261790675 371734359 /nfs/dbraw/zinc/73/43/59/371734359.db2.gz XRYKCXUINUDMQV-IAOVAPTHSA-N 2 0 290.407 2.133 10 0 CEAERP CCn1cc(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262049638 371812288 /nfs/dbraw/zinc/81/22/88/371812288.db2.gz QBXOELCJQMKWOM-MRXNPFEDSA-N 2 0 276.428 2.082 10 0 CEAERP C[C@@H]1CN(Cc2ccccc2OCc2ccccn2)C[C@@H]1[NH3+] ZINC000262089360 371821863 /nfs/dbraw/zinc/82/18/63/371821863.db2.gz UROOZXNVSBRPEW-PBHICJAKSA-N 2 0 297.402 2.440 10 0 CEAERP C[C@H](N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1C[NH2+]C1 ZINC000643480613 373149137 /nfs/dbraw/zinc/14/91/37/373149137.db2.gz GPQVXKXYHCEWMV-RGIVZKHGSA-N 2 0 299.462 2.095 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H](C)O1 ZINC000377111043 374792272 /nfs/dbraw/zinc/79/22/72/374792272.db2.gz GLYMCFHUNBOISW-DGRATXKMSA-N 2 0 266.429 2.405 10 0 CEAERP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCO1 ZINC000423021436 376936189 /nfs/dbraw/zinc/93/61/89/376936189.db2.gz FBWUBVFOSSZQTN-MCIONIFRSA-N 2 0 254.418 2.312 10 0 CEAERP C[C@H](NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000562959200 377036347 /nfs/dbraw/zinc/03/63/47/377036347.db2.gz CNUZTRWATRFGPU-LSDHHAIUSA-N 2 0 267.461 2.229 10 0 CEAERP CCCC[NH+]1CCC(N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000563445931 377228171 /nfs/dbraw/zinc/22/81/71/377228171.db2.gz PSRHSVAXFMJQHB-HUUCEWRRSA-N 2 0 267.461 2.229 10 0 CEAERP CCN(CC)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093489903 184683747 /nfs/dbraw/zinc/68/37/47/184683747.db2.gz XRDFMQZBNGLCGX-OWCLPIDISA-N 2 0 295.471 2.145 10 0 CEAERP Cc1ccccc1N1C(N)=[NH+]CC12C[C@H]1CC[C@@H](C2)[N@H+]1C ZINC000093377270 184668735 /nfs/dbraw/zinc/66/87/35/184668735.db2.gz DTQRIGFVLYLWPQ-VMZNBEPHSA-N 2 0 284.407 2.335 10 0 CEAERP CCC[NH2+][C@]1(C(N)=O)CCC[C@H]1CC[NH+]1CCCCCC1 ZINC000093584087 184692931 /nfs/dbraw/zinc/69/29/31/184692931.db2.gz MVOMLPNHXBRXDR-DOTOQJQBSA-N 2 0 295.471 2.276 10 0 CEAERP CCC[NH2+][C@]1(CO)CCC[C@@H]1CC[N@H+](C)CC(C)C ZINC000093616602 184696123 /nfs/dbraw/zinc/69/61/23/184696123.db2.gz KLIYYSGMIAKJKC-CVEARBPZSA-N 2 0 270.461 2.495 10 0 CEAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094070235 184753258 /nfs/dbraw/zinc/75/32/58/184753258.db2.gz LPOWAHBWNNTBRQ-HNNXBMFYSA-N 2 0 276.424 2.447 10 0 CEAERP CCC[NH2+]Cc1ccc(COCC[NH+](CC)CC)nc1 ZINC000094760887 184854771 /nfs/dbraw/zinc/85/47/71/184854771.db2.gz CROGXJWKAPXSMP-UHFFFAOYSA-N 2 0 279.428 2.440 10 0 CEAERP CCCN(CC[NH+](C)C)c1cc([C@@H](C)[NH2+]C)ccn1 ZINC000094999329 184912311 /nfs/dbraw/zinc/91/23/11/184912311.db2.gz ZVIHDSOGCBAWET-CYBMUJFWSA-N 2 0 264.417 2.140 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1SCC[NH+](C)C ZINC000095021491 184916993 /nfs/dbraw/zinc/91/69/93/184916993.db2.gz MUHAGJMSGKFTSU-UONOGXRCSA-N 2 0 250.411 2.167 10 0 CEAERP CC[C@@H](C[NH3+])C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000087535373 135050968 /nfs/dbraw/zinc/05/09/68/135050968.db2.gz IXTKOIMVRFOARN-ZDUSSCGKSA-N 2 0 281.831 2.447 10 0 CEAERP CC(C)(C[NH3+])CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000087590523 135051004 /nfs/dbraw/zinc/05/10/04/135051004.db2.gz ZBGQWCIHANETMX-UHFFFAOYSA-N 2 0 279.403 2.323 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cc(C[NH3+])nc3ccccc32)C1 ZINC000091449199 135070492 /nfs/dbraw/zinc/07/04/92/135070492.db2.gz XWLDXZFIEQRPMR-AWEZNQCLSA-N 2 0 284.407 2.224 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094443203 135088481 /nfs/dbraw/zinc/08/84/81/135088481.db2.gz LKXRJGZHJFWSLJ-MRXNPFEDSA-N 2 0 288.439 2.254 10 0 CEAERP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422784245 394783089 /nfs/dbraw/zinc/78/30/89/394783089.db2.gz IMVBDTOKQPGECF-FCLJQHQZSA-N 2 0 273.424 2.162 10 0 CEAERP CCC(CC)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000153881456 395019530 /nfs/dbraw/zinc/01/95/30/395019530.db2.gz CKSLXPGOBJOGMO-CQSZACIVSA-N 2 0 270.461 2.447 10 0 CEAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000396621717 395217894 /nfs/dbraw/zinc/21/78/94/395217894.db2.gz VCXRSPMVTRCEPQ-FZCLSBEQSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000647796862 395756622 /nfs/dbraw/zinc/75/66/22/395756622.db2.gz QBECDYAOAMCBSK-CCECPURYSA-N 2 0 266.429 2.168 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000037826053 400119970 /nfs/dbraw/zinc/11/99/70/400119970.db2.gz DIKDWRNOQDSFKU-UHFFFAOYSA-N 2 0 295.471 2.083 10 0 CEAERP CC[NH+](CC)CCOc1cc(C[NH2+]C)ccc1OC ZINC000019777369 170861151 /nfs/dbraw/zinc/86/11/51/170861151.db2.gz PNGCAXQMDZGBFN-UHFFFAOYSA-N 2 0 266.385 2.135 10 0 CEAERP [NH3+]CC[C@H](COc1ccccc1F)[NH+]1CCCCC1 ZINC000020402230 171182103 /nfs/dbraw/zinc/18/21/03/171182103.db2.gz ZTSXKZXLXCZEQT-CYBMUJFWSA-N 2 0 266.360 2.408 10 0 CEAERP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000022154858 171361894 /nfs/dbraw/zinc/36/18/94/171361894.db2.gz REWDIKCNWRRGSD-CYBMUJFWSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000022154854 171361927 /nfs/dbraw/zinc/36/19/27/171361927.db2.gz REWDIKCNWRRGSD-ZDUSSCGKSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C[NH3+])C1 ZINC000022156496 171363183 /nfs/dbraw/zinc/36/31/83/171363183.db2.gz MAKXYQYZOXQWPZ-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022170819 171368151 /nfs/dbraw/zinc/36/81/51/171368151.db2.gz CFOPUBWCCUUCPY-KBPBESRZSA-N 2 0 289.423 2.452 10 0 CEAERP [NH3+]CCc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000031978666 171678061 /nfs/dbraw/zinc/67/80/61/171678061.db2.gz MAJZPDLHZKKRDC-UHFFFAOYSA-N 2 0 262.397 2.443 10 0 CEAERP CC[C@H]1CCCN(C2(C[NH3+])CC[NH+](C(C)C)CC2)C1 ZINC000036169271 172487051 /nfs/dbraw/zinc/48/70/51/172487051.db2.gz OMTDYIMGEPKNKC-HNNXBMFYSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H](C)C[N@H+](C)C[C@H](O)c1ccc(C[NH3+])cc1 ZINC000037172394 173006062 /nfs/dbraw/zinc/00/60/62/173006062.db2.gz WTXSLOWJTNGILO-DOMZBBRYSA-N 2 0 250.386 2.157 10 0 CEAERP C[NH+]1CCN(CC[NH2+]Cc2cccc3ccccc32)CC1 ZINC000037496725 173235418 /nfs/dbraw/zinc/23/54/18/173235418.db2.gz AZAKTHKAASFVCU-UHFFFAOYSA-N 2 0 283.419 2.177 10 0 CEAERP [NH3+][C@@H]1CCCCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431785 174260180 /nfs/dbraw/zinc/26/01/80/174260180.db2.gz MDTUPPSUWVNLPG-MSOLQXFVSA-N 2 0 287.451 2.464 10 0 CEAERP Cc1cccc(CC[C@H](C)[NH2+]CCN2CC[NH+](C)CC2)c1 ZINC000040500818 174296817 /nfs/dbraw/zinc/29/68/17/174296817.db2.gz LDUNGBRAGCDWHX-KRWDZBQOSA-N 2 0 289.467 2.153 10 0 CEAERP [NH3+]C[C@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693669 174377379 /nfs/dbraw/zinc/37/73/79/174377379.db2.gz OJVHXTWCODGJGU-GDBMZVCRSA-N 2 0 265.445 2.064 10 0 CEAERP CC(C)(C)[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040693964 174377659 /nfs/dbraw/zinc/37/76/59/174377659.db2.gz OPJVOJHCWUTXEO-OAHLLOKOSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@H](C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000040693779 174377922 /nfs/dbraw/zinc/37/79/22/174377922.db2.gz JIUTVPRNFCBAEJ-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1F ZINC000040749268 174393871 /nfs/dbraw/zinc/39/38/71/174393871.db2.gz LZFLDYCOCMGMRI-FGWVZKOKSA-N 2 0 252.308 2.419 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@H]([NH3+])c2ccc(OC)cc2)CC1 ZINC000042616292 174829795 /nfs/dbraw/zinc/82/97/95/174829795.db2.gz OZOJVDWDYTUYAG-KRWDZBQOSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](C(C)C)CC2)c1C ZINC000043314684 175004652 /nfs/dbraw/zinc/00/46/52/175004652.db2.gz YKKJFEKVOYEVMJ-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP c1cc(C[NH+]2CCCC2)cc(N[C@H]2CCC[NH2+]C2)c1 ZINC000043326254 175007610 /nfs/dbraw/zinc/00/76/10/175007610.db2.gz FHNATCMNKGMRFY-INIZCTEOSA-N 2 0 259.397 2.446 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CC[NH+](C)C)CC(C)C ZINC000043354822 175022549 /nfs/dbraw/zinc/02/25/49/175022549.db2.gz NPDOSACJLVIANA-SJORKVTESA-N 2 0 292.471 2.380 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CC[NH+](C(C)C)CC1 ZINC000043364370 175024446 /nfs/dbraw/zinc/02/44/46/175024446.db2.gz ZGKUKRYMEZXFAU-GOEBONIOSA-N 2 0 279.428 2.392 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810489 175109883 /nfs/dbraw/zinc/10/98/83/175109883.db2.gz PWUPRWSOBGOQAO-IAGOWNOFSA-N 2 0 275.440 2.219 10 0 CEAERP CCC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C)CC1 ZINC000043810968 175110228 /nfs/dbraw/zinc/11/02/28/175110228.db2.gz WFWQPEGITFDKOG-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@H](CC)N1CC[NH+](C)CC1 ZINC000043810872 175110411 /nfs/dbraw/zinc/11/04/11/175110411.db2.gz CROFWRQMJFEZHJ-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000043815179 175111707 /nfs/dbraw/zinc/11/17/07/175111707.db2.gz IQMZTSQJCNJAAH-WMLDXEAASA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818018 175112888 /nfs/dbraw/zinc/11/28/88/175112888.db2.gz MOJPIQRJRKXYRU-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818421 175113221 /nfs/dbraw/zinc/11/32/21/175113221.db2.gz RWVSFYITABCJKN-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccccc1C ZINC000043818393 175113290 /nfs/dbraw/zinc/11/32/90/175113290.db2.gz DDLVUZHRWJAMLG-KRWDZBQOSA-N 2 0 275.440 2.283 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2CCC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818016 175113294 /nfs/dbraw/zinc/11/32/94/175113294.db2.gz MOJPIQRJRKXYRU-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP CCC[NH2+][C@@H](C)[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000043965735 175126873 /nfs/dbraw/zinc/12/68/73/175126873.db2.gz RWGKJIYOAAQADZ-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965640 175127271 /nfs/dbraw/zinc/12/72/71/175127271.db2.gz OSOMBHYYHPWJAT-HUUCEWRRSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967852 175128999 /nfs/dbraw/zinc/12/89/99/175128999.db2.gz DYSRLXXKKWSVDD-IAGOWNOFSA-N 2 0 279.472 2.325 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N1CCC(C[NH+](C)C)CC1 ZINC000043970622 175131787 /nfs/dbraw/zinc/13/17/87/175131787.db2.gz JEDRHMWTXZKDNZ-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP COCC[C@H](C)[NH2+]Cc1ccccc1C[NH+](C)C ZINC000045018337 175291378 /nfs/dbraw/zinc/29/13/78/175291378.db2.gz XSRBIIMCTWUELP-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+](C)CC(C)(C)C ZINC000045068432 175300039 /nfs/dbraw/zinc/30/00/39/175300039.db2.gz DGTACIGUILYHJY-GFCCVEGCSA-N 2 0 277.412 2.450 10 0 CEAERP CCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC000045072521 175302196 /nfs/dbraw/zinc/30/21/96/175302196.db2.gz VEVCXTLGVNRXGK-HUUCEWRRSA-N 2 0 283.460 2.003 10 0 CEAERP C[NH2+][C@@H]1CCOC[C@H]1[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000045073295 175302446 /nfs/dbraw/zinc/30/24/46/175302446.db2.gz MBYNEDQKLHTXTI-RBSFLKMASA-N 2 0 252.402 2.018 10 0 CEAERP CCCNC(=O)CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000045076571 175302961 /nfs/dbraw/zinc/30/29/61/175302961.db2.gz BAVSIFZFZFALAT-FKEKPDDDSA-N 2 0 295.471 2.001 10 0 CEAERP C[C@@H]1C[N@@H+](Cc2ccc(C(N)=[NH2+])cc2F)C[C@H](C)S1 ZINC000070383632 175902960 /nfs/dbraw/zinc/90/29/60/175902960.db2.gz YGXXVZUNOMYVRB-AOOOYVTPSA-N 2 0 281.400 2.436 10 0 CEAERP CO[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000665284054 415673658 /nfs/dbraw/zinc/67/36/58/415673658.db2.gz ZMXAJIXHXNLYFL-LSDHHAIUSA-N 2 0 254.418 2.313 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CC[C@@H]([NH2+]C(C)C)C1=O ZINC000071038069 176026650 /nfs/dbraw/zinc/02/66/50/176026650.db2.gz RSIXCTNSSINIES-LSDHHAIUSA-N 2 0 283.460 2.096 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(CCC[N@@H+]2CCCC[C@@H]2C)C1=O ZINC000071037913 176026702 /nfs/dbraw/zinc/02/67/02/176026702.db2.gz FQCQHGLOITZQDP-JKSUJKDBSA-N 2 0 295.471 2.242 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188083 176062099 /nfs/dbraw/zinc/06/20/99/176062099.db2.gz WUNPGMQCROCONR-IOASZLSFSA-N 2 0 279.403 2.098 10 0 CEAERP C[C@H](C[C@H](C[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071188449 176062689 /nfs/dbraw/zinc/06/26/89/176062689.db2.gz SWOCKCVDRCRMJJ-JFIYKMOQSA-N 2 0 289.467 2.391 10 0 CEAERP C[C@H]1CC(C)(C)C[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188583 176063557 /nfs/dbraw/zinc/06/35/57/176063557.db2.gz WNXOOXYZJWDQHR-UXLLHSPISA-N 2 0 281.488 2.414 10 0 CEAERP C[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1C ZINC000071188852 176063953 /nfs/dbraw/zinc/06/39/53/176063953.db2.gz DNHXINZNXWMPKA-NVXWUHKLSA-N 2 0 275.440 2.139 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188781 176063985 /nfs/dbraw/zinc/06/39/85/176063985.db2.gz ARTXEKGNDIEQGU-PMPSAXMXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191488 176069918 /nfs/dbraw/zinc/06/99/18/176069918.db2.gz KOUZRZFAEURWEM-ZBFHGGJFSA-N 2 0 267.461 2.038 10 0 CEAERP C[N@H+](CCCCC[NH2+]C(C)(C)C)C[C@@H]1CC[NH+](C)C1 ZINC000071191862 176072464 /nfs/dbraw/zinc/07/24/64/176072464.db2.gz PNZCAGIPOFRKJQ-HNNXBMFYSA-N 3 0 269.477 2.428 10 0 CEAERP C[C@@H](C[NH2+]C1CCCCC1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192194 176073693 /nfs/dbraw/zinc/07/36/93/176073693.db2.gz CBTAYQFOUPZXJM-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](CCCN1CC[C@H]([NH2+]C2CC2)C1)Cc1ccccc1 ZINC000071198154 176077325 /nfs/dbraw/zinc/07/73/25/176077325.db2.gz OTYWBSXRKFATJD-SFHVURJKSA-N 2 0 287.451 2.335 10 0 CEAERP CC[NH+](CC)C[C@@H](C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200868 176077848 /nfs/dbraw/zinc/07/78/48/176077848.db2.gz FGTBBJGLDFFWCI-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CN1CCC([N@H+](C)CCCCCC[NH2+]C2CC2)CC1 ZINC000071287357 176109917 /nfs/dbraw/zinc/10/99/17/176109917.db2.gz AGCIVECUWJZQCX-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377494 176142747 /nfs/dbraw/zinc/14/27/47/176142747.db2.gz AXYQHVWAQSZMLO-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071377493 176142762 /nfs/dbraw/zinc/14/27/62/176142762.db2.gz AXYQHVWAQSZMLO-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1CN(C)CC[NH+](C)C ZINC000079673160 177534960 /nfs/dbraw/zinc/53/49/60/177534960.db2.gz QQPBKPSDCQKEAL-LSDHHAIUSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000114176038 277436053 /nfs/dbraw/zinc/43/60/53/277436053.db2.gz JZBVMNGJIQEELE-CVEARBPZSA-N 2 0 297.487 2.343 10 0 CEAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165700212 278315627 /nfs/dbraw/zinc/31/56/27/278315627.db2.gz MCWCZBPYNSSYOU-GJZGRUSLSA-N 2 0 295.471 2.084 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000261661244 279101967 /nfs/dbraw/zinc/10/19/67/279101967.db2.gz KMDNNZWIHLCBNN-MRXNPFEDSA-N 2 0 297.487 2.345 10 0 CEAERP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000261557576 279284328 /nfs/dbraw/zinc/28/43/28/279284328.db2.gz XMCRTDJXMPLETH-WBVHZDCISA-N 2 0 275.440 2.239 10 0 CEAERP C[C@H](CN[C@@H](C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCCCC1 ZINC000038041945 279348498 /nfs/dbraw/zinc/34/84/98/279348498.db2.gz IOWMQIOULGGFNY-IXDOHACOSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1CC)[NH+](C)C ZINC000245522369 280247314 /nfs/dbraw/zinc/24/73/14/280247314.db2.gz UJRKSRLAVWTOGK-CABCVRRESA-N 2 0 283.460 2.097 10 0 CEAERP C[C@H](NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000577204740 314351971 /nfs/dbraw/zinc/35/19/71/314351971.db2.gz DDAUDCZHAZPHQC-USXIJHARSA-N 2 0 275.440 2.267 10 0 CEAERP CC(C)[NH+](CCNC(=O)C[C@H]1CCC[C@H]([NH3+])C1)C(C)C ZINC000055125057 519646783 /nfs/dbraw/zinc/64/67/83/519646783.db2.gz VMNKQOSEXZFYHT-GJZGRUSLSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)[NH2+]Cc1cccnc1OCC[NH+]1CCCC1 ZINC000051548870 519727762 /nfs/dbraw/zinc/72/77/62/519727762.db2.gz VILFMHCLGOLEOF-UHFFFAOYSA-N 2 0 263.385 2.054 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000055076024 519726246 /nfs/dbraw/zinc/72/62/46/519726246.db2.gz WOVPNXZGQPJOEG-UHFFFAOYSA-N 2 0 279.472 2.038 10 0 CEAERP CCCC1(C[NH2+][C@@H]2CCC[C@@H]2OC)CC[NH2+]CC1 ZINC000062851229 519892909 /nfs/dbraw/zinc/89/29/09/519892909.db2.gz MXTCGOBCZNKRDH-KGLIPLIRSA-N 2 0 254.418 2.313 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC[N@H+](C)C(C)C ZINC000054628597 519907584 /nfs/dbraw/zinc/90/75/84/519907584.db2.gz TVVRWPCXWSCMLW-MQVJKMGUSA-N 2 0 267.461 2.322 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CC)C[C@@H]2CCCO2)O1 ZINC000052511053 519936863 /nfs/dbraw/zinc/93/68/63/519936863.db2.gz UXHSDDSQMQUECK-PMPSAXMXSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[NH+]([C@H](C)CC)CC1)C1CC1 ZINC000069075028 520008803 /nfs/dbraw/zinc/00/88/03/520008803.db2.gz OAQLYSLJHJSICI-ZBFHGGJFSA-N 2 0 267.461 2.181 10 0 CEAERP CCO[C@@H](C[NH3+])C[N@H+](Cc1ccccc1)C(C)C ZINC000062739428 520308801 /nfs/dbraw/zinc/30/88/01/520308801.db2.gz ISHANNHCWRVOCU-HNNXBMFYSA-N 2 0 250.386 2.261 10 0 CEAERP CCC[N@H+](CCN(C)C)[C@H](C)CCC[NH2+]C(C)C ZINC000052544236 521657308 /nfs/dbraw/zinc/65/73/08/521657308.db2.gz RAQYOJKNNXEZLI-OAHLLOKOSA-N 2 0 257.466 2.427 10 0 CEAERP C[NH2+]Cc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)oc1C ZINC000052515291 522106387 /nfs/dbraw/zinc/10/63/87/522106387.db2.gz YMMBJEJJSMUHPH-UHFFFAOYSA-N 3 0 279.428 2.081 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)CCc2ccncc2)o1 ZINC000052483079 522116299 /nfs/dbraw/zinc/11/62/99/522116299.db2.gz YWLJBRPOGDTDQS-UHFFFAOYSA-N 2 0 259.353 2.069 10 0 CEAERP C(CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21)C[NH2+]C1CC1 ZINC000052573026 518384038 /nfs/dbraw/zinc/38/40/38/518384038.db2.gz GPKCXGAOXUPHDZ-HUUCEWRRSA-N 2 0 252.402 2.162 10 0 CEAERP C1C[NH2+][C@H]([C@@H]2CCC[N@@H+]([C@@H]3CCCSC3)C2)C1 ZINC000061590656 518580143 /nfs/dbraw/zinc/58/01/43/518580143.db2.gz KVAOPPYOWDZIGK-MCIONIFRSA-N 2 0 254.443 2.346 10 0 CEAERP CC(C)[N@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626983 519614237 /nfs/dbraw/zinc/61/42/37/519614237.db2.gz MQRKAWDQXPUVIL-OKILXGFUSA-N 2 0 252.402 2.303 10 0 CEAERP CC(C)[NH+](CCNC(=O)CC[C@H]1CCCC[NH2+]1)C(C)C ZINC000050939132 519647026 /nfs/dbraw/zinc/64/70/26/519647026.db2.gz RJYWSOSCIUHSNF-OAHLLOKOSA-N 2 0 283.460 2.144 10 0 CEAERP CC(C)[NH+]1CCN(Cc2ccccc2C[NH2+]C2CC2)CC1 ZINC000052480150 519682689 /nfs/dbraw/zinc/68/26/89/519682689.db2.gz UORSKJCDQCEXJA-UHFFFAOYSA-N 2 0 287.451 2.465 10 0 CEAERP CC(C)[NH+]1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786842 519683564 /nfs/dbraw/zinc/68/35/64/519683564.db2.gz PTZHKRAQJDWYOK-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP CC(C)C[NH+](CCn1cc(C[NH2+]C(C)C)nn1)CC(C)C ZINC000052484953 519717144 /nfs/dbraw/zinc/71/71/44/519717144.db2.gz AYIDGEOGWBSGSO-UHFFFAOYSA-N 2 0 295.475 2.390 10 0 CEAERP CC(C)C[NH+](Cc1ccnc(C(N)=[NH2+])c1)CC(C)C ZINC000068761296 519718866 /nfs/dbraw/zinc/71/88/66/519718866.db2.gz HBXKILLYKMZRNM-UHFFFAOYSA-N 2 0 262.401 2.480 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCN(C(C)C)CC1 ZINC000052480093 519720871 /nfs/dbraw/zinc/72/08/71/519720871.db2.gz CAEMJIQVIWFJHZ-OAHLLOKOSA-N 2 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]CC[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573559 519722406 /nfs/dbraw/zinc/72/24/06/519722406.db2.gz CXMBOMLMGLPNJI-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)[NH2+]C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484165 519724758 /nfs/dbraw/zinc/72/47/58/519724758.db2.gz SWYNKTIZPMRPGF-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083654 519725964 /nfs/dbraw/zinc/72/59/64/519725964.db2.gz JKHPJOHADMZHHQ-MRXNPFEDSA-N 2 0 267.461 2.040 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055082973 519727311 /nfs/dbraw/zinc/72/73/11/519727311.db2.gz LAXLDUBUPCUVBS-INIZCTEOSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061654623 519728541 /nfs/dbraw/zinc/72/85/41/519728541.db2.gz FEEPLUUKHMZQEM-OAHLLOKOSA-N 2 0 279.428 2.304 10 0 CEAERP CC(C)C[NH+]1CCN(c2cccc(C[NH2+]C3CC3)n2)CC1 ZINC000055082630 519729282 /nfs/dbraw/zinc/72/92/82/519729282.db2.gz DTRQSXPKCQZEDI-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061654749 519744069 /nfs/dbraw/zinc/74/40/69/519744069.db2.gz QIWKEJKLIZPOPW-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]Cc1ccoc1CN1CCC[N@H+](C)CC1 ZINC000052424177 519748091 /nfs/dbraw/zinc/74/80/91/519748091.db2.gz XLSVZBZTWKWRRZ-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CCC[NH+]1CCN([C@@H](CC)C[NH2+]CC(C)C)CC1 ZINC000052421784 519859469 /nfs/dbraw/zinc/85/94/69/519859469.db2.gz CPXGKQOROAHVMA-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062786736 519860050 /nfs/dbraw/zinc/86/00/50/519860050.db2.gz FWTXILADKGHXHP-UHFFFAOYSA-N 2 0 267.804 2.331 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000054863937 519860592 /nfs/dbraw/zinc/86/05/92/519860592.db2.gz BGZNYEMOZJIVQG-NSHDSACASA-N 2 0 280.441 2.011 10 0 CEAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H]1CCC[N@H+](CC)C1 ZINC000054602502 519909463 /nfs/dbraw/zinc/90/94/63/519909463.db2.gz DUJZXGVPYPQGFE-NPYXIHBLSA-N 2 0 279.472 2.466 10 0 CEAERP CC[NH2+]C[C@@H](C)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000061236578 519933384 /nfs/dbraw/zinc/93/33/84/519933384.db2.gz VRXAWFNSQXHDKR-OAHLLOKOSA-N 2 0 285.476 2.058 10 0 CEAERP CCC[NH2+]Cc1cc(CN2CCC[N@H+](C)CC2)oc1C ZINC000052424183 519944151 /nfs/dbraw/zinc/94/41/51/519944151.db2.gz QIIYNSHPFUETIH-UHFFFAOYSA-N 2 0 279.428 2.225 10 0 CEAERP CC[NH2+]C[C@H](C)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702363 519969913 /nfs/dbraw/zinc/96/99/13/519969913.db2.gz OHPLHADTFMHFRM-HOCLYGCPSA-N 2 0 262.397 2.276 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CC(C)C)C2CC2)O1 ZINC000052515887 519980506 /nfs/dbraw/zinc/98/05/06/519980506.db2.gz NABXDVQJHHTHOJ-HUUCEWRRSA-N 2 0 254.418 2.264 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)C[C@H]1CCCO1 ZINC000052541094 520006444 /nfs/dbraw/zinc/00/64/44/520006444.db2.gz XUWPZHSRTCRYLK-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062979362 520019933 /nfs/dbraw/zinc/01/99/33/520019933.db2.gz VBRQHNRHBTUNEK-GVDBMIGSSA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079367 520022570 /nfs/dbraw/zinc/02/25/70/520022570.db2.gz FMFMSAZNQCUGGJ-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]Cc1occc1COCC[C@H]1CCC[N@@H+]1C ZINC000052673281 520030365 /nfs/dbraw/zinc/03/03/65/520030365.db2.gz JRSCXZNMURDGBE-CQSZACIVSA-N 2 0 266.385 2.390 10 0 CEAERP CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](C)CCO ZINC000054560062 520096395 /nfs/dbraw/zinc/09/63/95/520096395.db2.gz GZNPGYFUATVMSO-OAGGEKHMSA-N 2 0 270.461 2.351 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653660 520116514 /nfs/dbraw/zinc/11/65/14/520116514.db2.gz IACGPFGETOZFRR-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C[NH+]1CCC(CO)CC1 ZINC000053860085 520122197 /nfs/dbraw/zinc/12/21/97/520122197.db2.gz GAJBWZOXGIVQGW-FVQBIDKESA-N 2 0 268.445 2.105 10 0 CEAERP CC[NH2+][C@@H]1COc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000062804655 520124892 /nfs/dbraw/zinc/12/48/92/520124892.db2.gz YGONLMASCCVWHI-OAHLLOKOSA-N 2 0 276.380 2.204 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643573 520126501 /nfs/dbraw/zinc/12/65/01/520126501.db2.gz JMPFYCBBMKTRQE-BPQIPLTHSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081859 520213263 /nfs/dbraw/zinc/21/32/63/520213263.db2.gz GNTBBKYIAGSTPL-CVEARBPZSA-N 2 0 267.461 2.038 10 0 CEAERP CCCCC[C@H](C[NH3+])N1CC[NH+](CC(C)C)CC1 ZINC000055078540 520311096 /nfs/dbraw/zinc/31/10/96/520311096.db2.gz BBTZWHTVNOFLHV-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2cc(C)c(C[NH3+])o2)C1 ZINC000052372228 520526627 /nfs/dbraw/zinc/52/66/27/520526627.db2.gz KCEMSHAUKXSCGV-LBPRGKRZSA-N 2 0 252.358 2.048 10 0 CEAERP CC[NH+](CC)CCOc1cc(C[NH3+])c2ccccc2n1 ZINC000051549166 520697357 /nfs/dbraw/zinc/69/73/57/520697357.db2.gz MZGAURPTEYKPCA-UHFFFAOYSA-N 2 0 273.380 2.414 10 0 CEAERP CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)[NH2+]C)c1ccccc1 ZINC000061300090 520832002 /nfs/dbraw/zinc/83/20/02/520832002.db2.gz UZBIPUWBTORXSV-HNNXBMFYSA-N 2 0 291.439 2.184 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C[C@@H](C)C[NH2+]C(C)(C)C)C1 ZINC000062972385 520847324 /nfs/dbraw/zinc/84/73/24/520847324.db2.gz CFZHWFFNMPFZCY-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@H+](CCCOc1ccccc1)C[C@@H](C)C(N)=[NH2+] ZINC000061815881 521040240 /nfs/dbraw/zinc/04/02/40/521040240.db2.gz CQPHZLIIYDLHRJ-CYBMUJFWSA-N 2 0 263.385 2.349 10 0 CEAERP CC[N@H+](Cc1cc(C)c(C[NH2+]C)o1)[C@H](C)COC ZINC000052505152 521285877 /nfs/dbraw/zinc/28/58/77/521285877.db2.gz FOKVPOQRJDVLBL-GFCCVEGCSA-N 2 0 254.374 2.164 10 0 CEAERP CCC(CC)(C[NH2+]C)CN1CCC[C@H]1C[NH+](C)C ZINC000061653545 521439114 /nfs/dbraw/zinc/43/91/14/521439114.db2.gz SBMUCGIQFTYPCF-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[N@H+](Cc1occc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052504766 521471010 /nfs/dbraw/zinc/47/10/10/521471010.db2.gz KAZIKTISGBSYEC-LBPRGKRZSA-N 2 0 266.385 2.388 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cc(C[NH2+]C)no1 ZINC000052573345 521558642 /nfs/dbraw/zinc/55/86/42/521558642.db2.gz JRQVJALDEMHDIK-UHFFFAOYSA-N 2 0 269.389 2.031 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1cc[nH+]c(NN)c1 ZINC000052722100 521559493 /nfs/dbraw/zinc/55/94/93/521559493.db2.gz KMABNTXQVJDKLZ-UHFFFAOYSA-N 2 0 266.389 2.004 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1ccc(C[NH3+])o1 ZINC000052573336 521559580 /nfs/dbraw/zinc/55/95/80/521559580.db2.gz VMAJIPJYVDOZFQ-UHFFFAOYSA-N 2 0 254.374 2.375 10 0 CEAERP CCC(CC)[NH2+]CCN1CC[C@H]([NH+](CC)CC)C1 ZINC000062974255 521595873 /nfs/dbraw/zinc/59/58/73/521595873.db2.gz VUEDHZQDSKPXNV-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCOC1CC[NH+](Cc2ccccc2C[NH2+]C)CC1 ZINC000052484108 521656800 /nfs/dbraw/zinc/65/68/00/521656800.db2.gz LYNCXDKJEASNAW-UHFFFAOYSA-N 2 0 262.397 2.407 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000054897693 521658784 /nfs/dbraw/zinc/65/87/84/521658784.db2.gz DXCYKBPECLNYAW-SNVBAGLBSA-N 2 0 270.446 2.249 10 0 CEAERP CCC1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000062849350 521666561 /nfs/dbraw/zinc/66/65/61/521666561.db2.gz PZRUHFYCSIOURF-OAHLLOKOSA-N 2 0 295.471 2.004 10 0 CEAERP C[NH2+]CC1(CN2CC[C@H]([NH+]3CCCCC3)C2)CCCC1 ZINC000062970625 521971966 /nfs/dbraw/zinc/97/19/66/521971966.db2.gz CGKCKTVAQODEDS-INIZCTEOSA-N 2 0 279.472 2.326 10 0 CEAERP C[NH+](C)[C@@H]1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)C1 ZINC000062975098 522056364 /nfs/dbraw/zinc/05/63/64/522056364.db2.gz OAEOVTCTNGHBGY-LLVKDONJSA-N 2 0 282.457 2.172 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370909 522060160 /nfs/dbraw/zinc/06/01/60/522060160.db2.gz AEWQJRDHWARRFF-ZFWWWQNUSA-N 2 0 264.369 2.011 10 0 CEAERP C[NH2+]C[C@](C)(C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000052763410 522098723 /nfs/dbraw/zinc/09/87/23/522098723.db2.gz RSGUUWNNKVQXPX-QZTJIDSGSA-N 2 0 290.451 2.401 10 0 CEAERP C[NH+](C)[C@H]1CCN([C@@H](C[NH3+])c2cccc3ccccc32)C1 ZINC000062964743 522104407 /nfs/dbraw/zinc/10/44/07/522104407.db2.gz UYSDBGARCBVRFR-YJBOKZPZSA-N 2 0 283.419 2.476 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[C@H]2CCC[NH2+]C2)CC1 ZINC000055083445 522117596 /nfs/dbraw/zinc/11/75/96/522117596.db2.gz XOYRHOMWNZZQSV-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(C)(C)C[NH2+]C(C)C)CC1 ZINC000055072138 522119488 /nfs/dbraw/zinc/11/94/88/522119488.db2.gz ZCVVCHUZKMXOER-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(OC)c2)CC1 ZINC000055063635 522131597 /nfs/dbraw/zinc/13/15/97/522131597.db2.gz BUHNIYGRUPGKJQ-RHSMWYFYSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055065308 522131929 /nfs/dbraw/zinc/13/19/29/522131929.db2.gz FMTIIXVSXBTDMH-JLSDUUJJSA-N 2 0 287.451 2.417 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000055065514 522132074 /nfs/dbraw/zinc/13/20/74/522132074.db2.gz AUUNBEWLCWEJHZ-ILXRZTDVSA-N 2 0 253.434 2.063 10 0 CEAERP C[NH2+]Cc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515474 522134712 /nfs/dbraw/zinc/13/47/12/522134712.db2.gz LUOMDXDYZZRMJF-UHFFFAOYSA-N 3 0 275.440 2.180 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccccn1)N1CC[NH+](CC(C)C)CC1 ZINC000055077435 522343489 /nfs/dbraw/zinc/34/34/89/522343489.db2.gz QHXKQKQJYJWYOD-DOTOQJQBSA-N 2 0 290.455 2.134 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077481 522343746 /nfs/dbraw/zinc/34/37/46/522343746.db2.gz VOFPGAJBAHIICS-IRXDYDNUSA-N 2 0 290.455 2.134 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643426 522377802 /nfs/dbraw/zinc/37/78/02/522377802.db2.gz RGUMEGHYCAHOFJ-BZUAXINKSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082048 522490957 /nfs/dbraw/zinc/49/09/57/522490957.db2.gz BEVCWHSXKFPEJC-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N(C)[C@@H]3CCC[N@H+](C)C3)sc21 ZINC000054905600 522499662 /nfs/dbraw/zinc/49/96/62/522499662.db2.gz QEZAJBPMLZPFQV-NEPJUHHUSA-N 2 0 294.468 2.270 10 0 CEAERP C[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)C[C@@H]1CCCCO1 ZINC000052507648 523144084 /nfs/dbraw/zinc/14/40/84/523144084.db2.gz FEAUUUNIHFHZHQ-HRCADAONSA-N 2 0 298.471 2.423 10 0 CEAERP CC[C@H]1CN(c2nc(C3CC3)c(C[NH2+]C)s2)CC[N@@H+]1C ZINC000069182962 523309736 /nfs/dbraw/zinc/30/97/36/523309736.db2.gz VSKWKKOIFOYQTD-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653499 523463466 /nfs/dbraw/zinc/46/34/66/523463466.db2.gz DEBDAGJINMGBNL-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CCn1cc[nH+]c1NC[C@H](C)C[NH+]1CCCCC1 ZINC000050614101 523550860 /nfs/dbraw/zinc/55/08/60/523550860.db2.gz ROXPOROFPBUODE-ZDUSSCGKSA-N 2 0 250.390 2.437 10 0 CEAERP COCC[N@H+](C)CCOc1ccccc1C[NH2+]C(C)C ZINC000052572846 523617511 /nfs/dbraw/zinc/61/75/11/523617511.db2.gz YAVMYEMLXKXYGC-UHFFFAOYSA-N 2 0 280.412 2.142 10 0 CEAERP CN(c1cc(Cl)ccc1C[NH3+])[C@H]1CCC[N@H+](C)C1 ZINC000062787040 523630960 /nfs/dbraw/zinc/63/09/60/523630960.db2.gz VXOXPSLYXXJYNT-ZDUSSCGKSA-N 2 0 267.804 2.329 10 0 CEAERP CN(c1cc(Cl)ccc1C[NH3+])[C@@H]1CCC[N@H+](C)C1 ZINC000062787041 523632667 /nfs/dbraw/zinc/63/26/67/523632667.db2.gz VXOXPSLYXXJYNT-CYBMUJFWSA-N 2 0 267.804 2.329 10 0 CEAERP CO[C@@H]1CCC[C@@H]1[NH2+]CC1(c2ccccc2)CC[NH2+]CC1 ZINC000062943855 523633477 /nfs/dbraw/zinc/63/34/77/523633477.db2.gz OWVUYRRJWXSTTG-DLBZAZTESA-N 2 0 288.435 2.465 10 0 CEAERP COCC[N@H+]([C@@H](C)COC)[C@@H](CC[NH3+])c1ccccc1 ZINC000055017249 523780175 /nfs/dbraw/zinc/78/01/75/523780175.db2.gz NZZODCIUGSDUIU-HOCLYGCPSA-N 2 0 280.412 2.060 10 0 CEAERP C[NH+]1CCC(Oc2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062789182 523780709 /nfs/dbraw/zinc/78/07/09/523780709.db2.gz FNFGXPFTMOCWHY-UHFFFAOYSA-N 2 0 267.760 2.097 10 0 CEAERP CN1CCC[N@H+](CCCCC[NH2+]C(C)(C)C)CC1 ZINC000052424332 523807050 /nfs/dbraw/zinc/80/70/50/523807050.db2.gz YMWMGOJFGKMVOX-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[C@@H]2[NH2+]C)CC1 ZINC000055072565 523954846 /nfs/dbraw/zinc/95/48/46/523954846.db2.gz BLIDCSDEMZZBOK-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000055065471 523955747 /nfs/dbraw/zinc/95/57/47/523955747.db2.gz BVCRINMZTUCKAD-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000055074459 523957648 /nfs/dbraw/zinc/95/76/48/523957648.db2.gz PFTGWDYJVYCBEO-HOTGVXAUSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064523 523958286 /nfs/dbraw/zinc/95/82/86/523958286.db2.gz BFONUPIPZHQDOV-LRDDRELGSA-N 2 0 297.393 2.381 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc2ncccc2c1 ZINC000069502841 524053504 /nfs/dbraw/zinc/05/35/04/524053504.db2.gz UNHIBTPEFMNCCW-KRWDZBQOSA-N 2 0 286.423 2.118 10 0 CEAERP COc1ccc(C[NH2+]CC(C)C)c(OCC[NH+](C)C)c1 ZINC000062733180 524069367 /nfs/dbraw/zinc/06/93/67/524069367.db2.gz FBIVHEVYFRSQBL-UHFFFAOYSA-N 2 0 280.412 2.381 10 0 CEAERP C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183505 524163140 /nfs/dbraw/zinc/16/31/40/524163140.db2.gz HZMNEFLKSCZROB-ZIAGYGMSSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C[NH2+]C3CC3)O2)C1 ZINC000052381582 524230077 /nfs/dbraw/zinc/23/00/77/524230077.db2.gz RHYOCGJGIGRSKK-YUELXQCFSA-N 2 0 252.402 2.018 10 0 CEAERP C[C@H](CNC(=O)CC[C@@H]1CCCC[NH2+]1)C[NH+]1CCCCC1 ZINC000050948291 524379153 /nfs/dbraw/zinc/37/91/53/524379153.db2.gz OATZQHNAQGNSDI-CVEARBPZSA-N 2 0 295.471 2.147 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)C2(C)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000062841072 524428511 /nfs/dbraw/zinc/42/85/11/524428511.db2.gz OZNRCOVTVZEYQZ-PBHICJAKSA-N 2 0 295.471 2.003 10 0 CEAERP C[C@@H](CCC[NH3+])O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702320 524456510 /nfs/dbraw/zinc/45/65/10/524456510.db2.gz VFBMAOARNFMFBO-HOCLYGCPSA-N 2 0 262.397 2.405 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642029 524839027 /nfs/dbraw/zinc/83/90/27/524839027.db2.gz LVLGGOQHMIGVFK-IMJJTQAJSA-N 2 0 261.413 2.101 10 0 CEAERP C[C@@H]1CN(C2CC[NH+](C)CC2)[C@H](c2ccccc2)C[NH2+]1 ZINC000062667048 524922235 /nfs/dbraw/zinc/92/22/35/524922235.db2.gz ZWBYSLOBTZMJSU-PBHICJAKSA-N 2 0 273.424 2.116 10 0 CEAERP Cc1ccccc1C[N@H+](C)Cc1ccnc(C[NH3+])c1 ZINC000068749595 525128082 /nfs/dbraw/zinc/12/80/82/525128082.db2.gz RRFQOFXCMFYCLU-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP COc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CCO2 ZINC000051694384 525586575 /nfs/dbraw/zinc/58/65/75/525586575.db2.gz CPDKIRPHSKFOOP-KOHJWAIASA-N 2 0 276.380 2.378 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccccc1C[NH3+] ZINC000050563663 525639947 /nfs/dbraw/zinc/63/99/47/525639947.db2.gz NCJWIJNWEOKUJP-QWHCGFSZSA-N 2 0 275.396 2.204 10 0 CEAERP C[C@@]([NH3+])(CN1CC[NH+](C2CCCC2)CC1)c1ccccc1 ZINC000052883704 525750715 /nfs/dbraw/zinc/75/07/15/525750715.db2.gz SXUQUBNCRNHJMI-GOSISDBHSA-N 2 0 287.451 2.421 10 0 CEAERP Cc1ccsc1C[NH2+]CCN1CCC(C[NH+](C)C)CC1 ZINC000053428355 525858041 /nfs/dbraw/zinc/85/80/41/525858041.db2.gz VEFYVDXFMYKCJG-UHFFFAOYSA-N 2 0 295.496 2.420 10 0 CEAERP Cc1ccsc1[C@@H](C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053205594 525871158 /nfs/dbraw/zinc/87/11/58/525871158.db2.gz ZUTFBWJIXYNRIU-CHWSQXEVSA-N 2 0 267.442 2.082 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642068 525891215 /nfs/dbraw/zinc/89/12/15/525891215.db2.gz AYWHMQSAELQLKO-MJBXVCDLSA-N 2 0 281.469 2.471 10 0 CEAERP O[C@H]1CCCCC[C@H]1[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062034451 526302390 /nfs/dbraw/zinc/30/23/90/526302390.db2.gz APIJWAJCPBUWKC-SJORKVTESA-N 2 0 280.456 2.488 10 0 CEAERP Cc1oc(C[NH2+]C2CC2)cc1COCCC[NH+](C)C ZINC000052672680 526774453 /nfs/dbraw/zinc/77/44/53/526774453.db2.gz CQMABZGDIVEVHT-UHFFFAOYSA-N 2 0 266.385 2.308 10 0 CEAERP Cc1nc(N2CCC[C@@H]2C[NH+](C)C)sc1C[NH2+]C(C)C ZINC000061655591 526965702 /nfs/dbraw/zinc/96/57/02/526965702.db2.gz PLTJVIVBYDVXBZ-CYBMUJFWSA-N 2 0 296.484 2.480 10 0 CEAERP [NH3+]Cc1c2ccccc2oc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371347 527243345 /nfs/dbraw/zinc/24/33/45/527243345.db2.gz CBBXENQLQIQVJX-UHFFFAOYSA-N 2 0 285.391 2.172 10 0 CEAERP CC(C)[C@H]1O[C@]2(CCC[N@H+](C)CC2)[NH2+]CC12CC2 ZINC000757143743 574510306 /nfs/dbraw/zinc/51/03/06/574510306.db2.gz MQOJBJFFNDGCGV-HIFRSBDPSA-N 2 0 252.402 2.223 10 0 CEAERP CC1(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000311243676 628461077 /nfs/dbraw/zinc/46/10/77/628461077.db2.gz YUXKFWKOEMEVGV-AWEZNQCLSA-N 2 0 254.418 2.003 10 0 CEAERP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000178980982 629878975 /nfs/dbraw/zinc/87/89/75/629878975.db2.gz ODHGWSFALCJYRB-OAHLLOKOSA-N 2 0 276.428 2.173 10 0 CEAERP C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccc(F)cc21 ZINC000082509364 178075978 /nfs/dbraw/zinc/07/59/78/178075978.db2.gz MRSQURKIHMJTTH-ZDUSSCGKSA-N 2 0 264.344 2.333 10 0 CEAERP C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2cc(OC)ccc21 ZINC000082509391 178076372 /nfs/dbraw/zinc/07/63/72/178076372.db2.gz JCNWENHEZAFQKN-AWEZNQCLSA-N 2 0 276.380 2.203 10 0 CEAERP CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000125501081 187188251 /nfs/dbraw/zinc/18/82/51/187188251.db2.gz QBCSAMBYOATLQG-BHYGNILZSA-N 2 0 290.455 2.383 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000133181575 344367637 /nfs/dbraw/zinc/36/76/37/344367637.db2.gz STXBOSOJOWXJKM-MRXNPFEDSA-N 2 0 275.396 2.219 10 0 CEAERP C[C@@H]1C[C@H](N2CCC[C@@H]([NH3+])[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307399203 344722378 /nfs/dbraw/zinc/72/23/78/344722378.db2.gz VUIBAYGKFDAQJI-MXSMSXNCSA-N 2 0 287.451 2.461 10 0 CEAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309852718 344729891 /nfs/dbraw/zinc/72/98/91/344729891.db2.gz BFSDGMWSDDHLPB-KZNAEPCWSA-N 2 0 288.435 2.402 10 0 CEAERP CC[N@@H+]1CC[C@@H](Cn2c3c(nc2C(C)(C)C)C[NH2+]CC3)C1 ZINC000085570485 179096292 /nfs/dbraw/zinc/09/62/92/179096292.db2.gz KSIJUMWINUJCBV-CYBMUJFWSA-N 2 0 290.455 2.168 10 0 CEAERP CCCc1nc2c(n1C[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572215 179097309 /nfs/dbraw/zinc/09/73/09/179097309.db2.gz NBKDABKPKCHFDV-AWEZNQCLSA-N 2 0 290.455 2.213 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624311 179107070 /nfs/dbraw/zinc/10/70/70/179107070.db2.gz IHRMUHFNVMZVJQ-ZFWWWQNUSA-N 2 0 278.444 2.290 10 0 CEAERP C[C@@H]1CC[NH2+][C@H](C(C)(C)C)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085624327 179107125 /nfs/dbraw/zinc/10/71/25/179107125.db2.gz HVIDODIXTBRKFF-RDBSUJKOSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)Cc1nc2c(n1[C@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573498 179098751 /nfs/dbraw/zinc/09/87/51/179098751.db2.gz RDELARMNKDFMFO-CQSZACIVSA-N 2 0 290.455 2.384 10 0 CEAERP C[NH+]1CCC(n2c3c(nc2C2CCCC2)C[NH2+]CC3)CC1 ZINC000085606260 179100284 /nfs/dbraw/zinc/10/02/84/179100284.db2.gz LKSUQQPDDCPNNX-UHFFFAOYSA-N 2 0 288.439 2.453 10 0 CEAERP C[C@@H](Cn1c2c(nc1C1CCCC1)C[NH2+]CC2)[NH+](C)C ZINC000085607076 179100454 /nfs/dbraw/zinc/10/04/54/179100454.db2.gz NQSXXQVXFJDBLS-LBPRGKRZSA-N 2 0 276.428 2.137 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCN[C@@H](C(C)(C)C)C2)CC1 ZINC000086145707 179238468 /nfs/dbraw/zinc/23/84/68/179238468.db2.gz FHAVKFHROABFPD-OAHLLOKOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[N@@H+]1CC[C@H](CN2CC[NH2+][C@H](C3CCCCC3)C2)C1 ZINC000086141843 179236646 /nfs/dbraw/zinc/23/66/46/179236646.db2.gz MLQIZKVPKRSARW-RDJZCZTQSA-N 2 0 279.472 2.182 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086173702 179244020 /nfs/dbraw/zinc/24/40/20/179244020.db2.gz QQPPEAIKAZMYBL-PMPSAXMXSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@H]1C[N@H+](CC2CC[NH+](C)CC2)[C@H](c2ccccc2)CN1 ZINC000086173650 179245027 /nfs/dbraw/zinc/24/50/27/179245027.db2.gz FMUUUCIOKPHMEH-YJBOKZPZSA-N 2 0 287.451 2.363 10 0 CEAERP C[C@@H]1CN[C@H](Cc2ccccc2)C[N@@H+]1CCCC[NH+](C)C ZINC000086174299 179245426 /nfs/dbraw/zinc/24/54/26/179245426.db2.gz ULKGADNLNFBVNH-SJLPKXTDSA-N 2 0 289.467 2.233 10 0 CEAERP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086174303 179245831 /nfs/dbraw/zinc/24/58/31/179245831.db2.gz DPQPCMXAVPXLMA-HOTGVXAUSA-N 2 0 269.477 2.283 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217823 179249344 /nfs/dbraw/zinc/24/93/44/179249344.db2.gz JORVJRSHZZPYHD-PBHICJAKSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H](C)CC[NH+](C)C ZINC000086227530 179254347 /nfs/dbraw/zinc/25/43/47/179254347.db2.gz FNQOMLCQGUKKOC-IMJJTQAJSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259244 179257730 /nfs/dbraw/zinc/25/77/30/179257730.db2.gz ZCCCPRRITZEIML-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259277 179258205 /nfs/dbraw/zinc/25/82/05/179258205.db2.gz GPWJOCOWKYWPGZ-BRWVUGGUSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259613 179258773 /nfs/dbraw/zinc/25/87/73/179258773.db2.gz CBZOVDIZHNXXNF-GDBMZVCRSA-N 2 0 277.456 2.220 10 0 CEAERP CC[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](CC)C[NH2+]1 ZINC000086260768 179259982 /nfs/dbraw/zinc/25/99/82/179259982.db2.gz RTONANLKUONBBB-PMPSAXMXSA-N 2 0 267.461 2.179 10 0 CEAERP CCC[C@@H]1CN(C2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000086290256 179265153 /nfs/dbraw/zinc/26/51/53/179265153.db2.gz SCJUQDPNXPPULX-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP c1ccc([C@@H]2CN([C@@H]3CC[N@@H+]4CCC[C@H]34)CCC[NH2+]2)cc1 ZINC000086290898 179265208 /nfs/dbraw/zinc/26/52/08/179265208.db2.gz GJMWPIUYDJTOSD-RCCFBDPRSA-N 2 0 285.435 2.260 10 0 CEAERP C1CCC([C@H]2CN([C@@H]3C[NH+]4CCC3CC4)CCC[NH2+]2)CC1 ZINC000086285955 179264514 /nfs/dbraw/zinc/26/45/14/179264514.db2.gz ZDJFUSDJRWUCEJ-QZTJIDSGSA-N 2 0 291.483 2.325 10 0 CEAERP CCC1(CC)C[N@H+](CCc2ccncc2)CCC[NH2+]1 ZINC000086288776 179264526 /nfs/dbraw/zinc/26/45/26/179264526.db2.gz DHMRHYKNEZBZKE-UHFFFAOYSA-N 2 0 261.413 2.478 10 0 CEAERP CC[C@@H]1CN[C@](C)(CC)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259056 179257320 /nfs/dbraw/zinc/25/73/20/179257320.db2.gz LPIZUJNNCSGGQP-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP c1ccc([C@@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CCC[NH2+]2)cc1 ZINC000086291983 179266069 /nfs/dbraw/zinc/26/60/69/179266069.db2.gz UEMNFOYMAIZEIA-MSOLQXFVSA-N 2 0 285.435 2.260 10 0 CEAERP CCC1(CC)CN(C[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291640 179266224 /nfs/dbraw/zinc/26/62/24/179266224.db2.gz JJFKASIPXBEFNH-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)C[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443968 179293602 /nfs/dbraw/zinc/29/36/02/179293602.db2.gz RWVJCGAVMVLVQM-GFCCVEGCSA-N 2 0 294.468 2.257 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2nc3c(s2)CCC[C@H]3[NH3+])CC1 ZINC000086443961 179293887 /nfs/dbraw/zinc/29/38/87/179293887.db2.gz OQCKUHCLQXLMBQ-VXGBXAGGSA-N 2 0 294.468 2.400 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086443982 179294152 /nfs/dbraw/zinc/29/41/52/179294152.db2.gz DIGZSRFXYXDEJH-MNOVXSKESA-N 2 0 280.441 2.010 10 0 CEAERP C[N@@H+]1CCC[C@@H](NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000086818785 179347675 /nfs/dbraw/zinc/34/76/75/179347675.db2.gz ZTJKYNLKZGXFJB-CQSZACIVSA-N 2 0 267.461 2.323 10 0 CEAERP CCN(C1CCCCC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819224 179348394 /nfs/dbraw/zinc/34/83/94/179348394.db2.gz QZUIBFNAMBTOCK-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CN(Cc1cccc(F)c1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819259 179348723 /nfs/dbraw/zinc/34/87/23/179348723.db2.gz RRVWLYVWUQZPLL-INIZCTEOSA-N 2 0 279.403 2.071 10 0 CEAERP CC1CC[NH+](CCCN[C@H]2CCC[N@H+](C)CC2)CC1 ZINC000086817372 179344333 /nfs/dbraw/zinc/34/43/33/179344333.db2.gz PVVCHEBMLZVNEL-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@@H+]1CCC[C@@H](NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000086817349 179344907 /nfs/dbraw/zinc/34/49/07/179344907.db2.gz JVMXMIZUSDXZTP-CYBMUJFWSA-N 2 0 267.461 2.370 10 0 CEAERP CC(C)C[C@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817430 179344913 /nfs/dbraw/zinc/34/49/13/179344913.db2.gz VLRHFEFXGQSLJQ-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCC[NH+](C)CC1 ZINC000086817118 179345148 /nfs/dbraw/zinc/34/51/48/179345148.db2.gz ONEXODOGBROHIK-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086817244 179345193 /nfs/dbraw/zinc/34/51/93/179345193.db2.gz HESVDIAGIHSLHR-CQSZACIVSA-N 2 0 278.396 2.278 10 0 CEAERP C[N@@H+]1CCC[C@](CO)([NH2+]C2CCCCCC2)CC1 ZINC000086834336 179349614 /nfs/dbraw/zinc/34/96/14/179349614.db2.gz NYQVDBSNBDVXTA-HNNXBMFYSA-N 2 0 254.418 2.146 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000086818518 179346324 /nfs/dbraw/zinc/34/63/24/179346324.db2.gz JXMQMJMHNIBCEK-AWEZNQCLSA-N 2 0 295.471 2.097 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)c2ccccc2OC)CC1 ZINC000086848305 179356340 /nfs/dbraw/zinc/35/63/40/179356340.db2.gz SGSCLCSBWHADQI-KRWDZBQOSA-N 2 0 291.439 2.335 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCc2cccnc2)CC1 ZINC000086840918 179352662 /nfs/dbraw/zinc/35/26/62/179352662.db2.gz SIHSWGOUTJDDID-MRXNPFEDSA-N 2 0 261.413 2.477 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cscn2)CC1 ZINC000086845129 179355459 /nfs/dbraw/zinc/35/54/59/179355459.db2.gz NVRRTJDBBBVHTF-LBPRGKRZSA-N 2 0 253.415 2.150 10 0 CEAERP CC[N@H+](Cc1ccccc1)[C@@]1(C[NH3+])CCCOCC1 ZINC000086874894 179364441 /nfs/dbraw/zinc/36/44/41/179364441.db2.gz KZTYETKHVSWCJS-INIZCTEOSA-N 2 0 262.397 2.407 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(CC2CC2)CC2CC2)CC1 ZINC000086848924 179358557 /nfs/dbraw/zinc/35/85/57/179358557.db2.gz OUZPRQVDHCFUFJ-KRWDZBQOSA-N 2 0 279.472 2.312 10 0 CEAERP CCC[N@@H+]1CCC[C@H](N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000086851189 179359225 /nfs/dbraw/zinc/35/92/25/179359225.db2.gz RZAXKGNFHYLIKL-PMPSAXMXSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000086891015 179365939 /nfs/dbraw/zinc/36/59/39/179365939.db2.gz SPBQEWKRQNLOHT-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000086891392 179366194 /nfs/dbraw/zinc/36/61/94/179366194.db2.gz BYFAPIZCQPXVRE-IKGGRYGDSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCCOCC2)CC1 ZINC000086913248 179367091 /nfs/dbraw/zinc/36/70/91/179367091.db2.gz DQMXTCKYTONDAO-HUUCEWRRSA-N 2 0 254.418 2.397 10 0 CEAERP CC[C@@H]1CCC[C@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920917 179368047 /nfs/dbraw/zinc/36/80/47/179368047.db2.gz IUMIFPZCPYTOBG-CABCVRRESA-N 2 0 254.418 2.003 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128857709 187394961 /nfs/dbraw/zinc/39/49/61/187394961.db2.gz QTAKZBYVKPPTPU-CABCVRRESA-N 3 0 255.450 2.229 10 0 CEAERP c1[nH]c2ccccc2c1CC[NH2+][C@H]1CCC[NH2+]CC1 ZINC000128882022 187396134 /nfs/dbraw/zinc/39/61/34/187396134.db2.gz ADGLBVVYORXMMH-AWEZNQCLSA-N 2 0 257.381 2.442 10 0 CEAERP CC(C)[NH+]1CCC(NC(=O)[C@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087694206 179471090 /nfs/dbraw/zinc/47/10/90/179471090.db2.gz GSVUZIFXHWVWMO-ZIAGYGMSSA-N 2 0 283.460 2.129 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CC[NH+](C)C ZINC000104188010 185920843 /nfs/dbraw/zinc/92/08/43/185920843.db2.gz VVUHRWQDLBIRLT-CVEARBPZSA-N 2 0 269.477 2.428 10 0 CEAERP C[NH2+][C@H](C)c1cc(F)ccc1N(C)CC[NH+](C)C ZINC000104192242 185922616 /nfs/dbraw/zinc/92/26/16/185922616.db2.gz AWFODUIYCSSJFB-LLVKDONJSA-N 2 0 253.365 2.104 10 0 CEAERP CC[N@H+](Cc1cccc(OC)n1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089115542 179708845 /nfs/dbraw/zinc/70/88/45/179708845.db2.gz AVJKONJOGVIURP-OCCSQVGLSA-N 2 0 263.385 2.040 10 0 CEAERP CC1CCC([C@H](C[NH3+])N(C)CC[NH+]2CCCC2)CC1 ZINC000089576805 179823342 /nfs/dbraw/zinc/82/33/42/179823342.db2.gz KFENFAYVZIEDEF-GPANFISMSA-N 2 0 267.461 2.168 10 0 CEAERP C[C@@H]1CCC[C@@](C[NH3+])(CN2CCC([NH+](C)C)CC2)C1 ZINC000089615855 179830044 /nfs/dbraw/zinc/83/00/44/179830044.db2.gz IQRSGXALJVATTA-GDBMZVCRSA-N 2 0 267.461 2.168 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCc2ccccc2C1 ZINC000090566016 180005858 /nfs/dbraw/zinc/00/58/58/180005858.db2.gz BEWSHMPTOUAMMA-DLBZAZTESA-N 2 0 274.408 2.059 10 0 CEAERP C[C@@]1(C[N@H+](Cc2cccs2)C2CC2)COC[C@@H]1[NH3+] ZINC000090606830 180011324 /nfs/dbraw/zinc/01/13/24/180011324.db2.gz FHSOEOFTWPQNMH-UONOGXRCSA-N 2 0 266.410 2.076 10 0 CEAERP C[C@]1(C[NH+]2CCC3(CCCC3)CC2)COC[C@H]1[NH3+] ZINC000090621050 180013803 /nfs/dbraw/zinc/01/38/03/180013803.db2.gz GQJQALVHODRUMQ-KGLIPLIRSA-N 2 0 252.402 2.006 10 0 CEAERP C(C[N@@H+]1CCC[C@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000090694567 180025852 /nfs/dbraw/zinc/02/58/52/180025852.db2.gz WMLFHOMWCLPKBH-GJZGRUSLSA-N 2 0 252.402 2.020 10 0 CEAERP C(C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000090694565 180026125 /nfs/dbraw/zinc/02/61/25/180026125.db2.gz WMLFHOMWCLPKBH-LSDHHAIUSA-N 2 0 252.402 2.020 10 0 CEAERP [NH3+]CCC1CC[NH+](C[C@H]2Cc3ccccc3O2)CC1 ZINC000090875338 180050933 /nfs/dbraw/zinc/05/09/33/180050933.db2.gz JADUECZETJERBK-OAHLLOKOSA-N 2 0 260.381 2.051 10 0 CEAERP CC[N@H+](C[C@@H]1Cc2ccccc2O1)C1CC[NH2+]CC1 ZINC000090876222 180051038 /nfs/dbraw/zinc/05/10/38/180051038.db2.gz DKXCHTDHKXWTAE-HNNXBMFYSA-N 2 0 260.381 2.064 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](C2CC2)C[N@@H+]1C[C@@H]1Cc2ccccc2O1 ZINC000090878340 180051671 /nfs/dbraw/zinc/05/16/71/180051671.db2.gz NWMRJCNIXYBCRM-XOKHGSTOSA-N 2 0 286.419 2.453 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090892551 180053978 /nfs/dbraw/zinc/05/39/78/180053978.db2.gz XSLUOTSUVHMZHC-INIZCTEOSA-N 2 0 292.398 2.451 10 0 CEAERP C[NH+](C)CC(C)(C)C[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090891898 180053987 /nfs/dbraw/zinc/05/39/87/180053987.db2.gz YQJMFRIQPMUDRI-CQSZACIVSA-N 2 0 280.387 2.307 10 0 CEAERP C[NH2+]CC1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893513 180055261 /nfs/dbraw/zinc/05/52/61/180055261.db2.gz VORZUMMGCYBXGX-HNNXBMFYSA-N 2 0 278.371 2.061 10 0 CEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907813 180062454 /nfs/dbraw/zinc/06/24/54/180062454.db2.gz PCGVPZIYOWKVDQ-MELADBBJSA-N 2 0 254.418 2.406 10 0 CEAERP C[C@@H]([NH3+])c1nc(CN2CC[C@H]([NH+]3CCCCC3)C2)cs1 ZINC000090958618 180074882 /nfs/dbraw/zinc/07/48/82/180074882.db2.gz RQESHCXVRVHBNV-OCCSQVGLSA-N 2 0 294.468 2.223 10 0 CEAERP CC(C)C[NH2+]Cc1nccn1CCC[NH+]1CCCC1 ZINC000091002706 180084082 /nfs/dbraw/zinc/08/40/82/180084082.db2.gz RVECQPNDLIHPOF-UHFFFAOYSA-N 2 0 264.417 2.115 10 0 CEAERP CCC[C@@H](C[NH3+])C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000669377126 539758460 /nfs/dbraw/zinc/75/84/60/539758460.db2.gz HAIZILGNUQAUAD-INIZCTEOSA-N 2 0 276.424 2.389 10 0 CEAERP CCC1(CC)CC[NH+]([C@H](CN)CC(=O)N2CCCC2)CC1 ZINC000091323542 180134769 /nfs/dbraw/zinc/13/47/69/180134769.db2.gz NURCUALSHHOYNO-HNNXBMFYSA-N 2 0 295.471 2.228 10 0 CEAERP CCN(CC)C(=O)C[C@H](C[NH3+])N(C)Cc1cccc(C)c1 ZINC000091322717 180134831 /nfs/dbraw/zinc/13/48/31/180134831.db2.gz BOVMVAYYSHBZLR-MRXNPFEDSA-N 2 0 291.439 2.013 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)s1 ZINC000091427981 180152823 /nfs/dbraw/zinc/15/28/23/180152823.db2.gz PFROYHQVOUKYSL-GFCCVEGCSA-N 2 0 282.457 2.173 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C1 ZINC000091432405 180153572 /nfs/dbraw/zinc/15/35/72/180153572.db2.gz KXCATZOXKZTOGW-LLVKDONJSA-N 2 0 296.484 2.430 10 0 CEAERP CCCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C[NH2+]C ZINC000091431475 180153675 /nfs/dbraw/zinc/15/36/75/180153675.db2.gz UUPAWSVXVNEMGR-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C[NH2+]C1CC1 ZINC000091431997 180153813 /nfs/dbraw/zinc/15/38/13/180153813.db2.gz CPDYGKOMADWVIS-ZDUSSCGKSA-N 2 0 294.468 2.234 10 0 CEAERP C[NH2+]C[C@](C)(CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091433171 180153866 /nfs/dbraw/zinc/15/38/66/180153866.db2.gz NHRRATRUEJFGKN-ZWKOTPCHSA-N 2 0 289.467 2.190 10 0 CEAERP COc1c(C)c[nH+]c(C[C@](C)(O)CC[NH2+]C(C)C)c1C ZINC000091467594 180164252 /nfs/dbraw/zinc/16/42/52/180164252.db2.gz GVOIALXTRNRAJK-MRXNPFEDSA-N 2 0 280.412 2.389 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000091392339 180144972 /nfs/dbraw/zinc/14/49/72/180144972.db2.gz NYVJNIUUUCBVGX-GJZGRUSLSA-N 2 0 274.412 2.080 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393122 180145279 /nfs/dbraw/zinc/14/52/79/180145279.db2.gz DHUUDSFOILZSBM-XIRDDKMYSA-N 2 0 275.440 2.362 10 0 CEAERP C[NH+](C)[C@H]1CCCN(CCC2([NH3+])CCCCC2)C1 ZINC000091395624 180146593 /nfs/dbraw/zinc/14/65/93/180146593.db2.gz HWKPWZWSWNKRPJ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091405556 180147007 /nfs/dbraw/zinc/14/70/07/180147007.db2.gz CVGFHZYJKIIQTP-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@@H](C)C(C)(C)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000091402344 180147032 /nfs/dbraw/zinc/14/70/32/180147032.db2.gz YYORMNLBMCVNNL-INIZCTEOSA-N 2 0 289.467 2.438 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000091404887 180147620 /nfs/dbraw/zinc/14/76/20/180147620.db2.gz YUMXRLRIYIZQNV-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000624122335 350200189 /nfs/dbraw/zinc/20/01/89/350200189.db2.gz ONUQCDANPQBGFG-KBUPBQIOSA-N 2 0 266.429 2.121 10 0 CEAERP CC[NH+](CC)[C@@](C)(CC)[C@@H](N)Cc1c[nH+]ccc1N ZINC000091573606 180196453 /nfs/dbraw/zinc/19/64/53/180196453.db2.gz PSCIBYYKHQWHAI-GJZGRUSLSA-N 2 0 264.417 2.044 10 0 CEAERP [NH3+][C@H]1CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544346 180185577 /nfs/dbraw/zinc/18/55/77/180185577.db2.gz AOPYWDIOTZBBIW-GJZGRUSLSA-N 3 0 265.445 2.064 10 0 CEAERP CC[NH2+][C@H](Cc1cnn(C)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091641136 180213014 /nfs/dbraw/zinc/21/30/14/180213014.db2.gz YBZYAUJGSVEHOC-MRXNPFEDSA-N 2 0 290.455 2.349 10 0 CEAERP C[C@@H]1CCC[C@](C(=O)Cc2c[nH+]ccc2N)([NH+](C)C)C1 ZINC000091650333 180216251 /nfs/dbraw/zinc/21/62/51/180216251.db2.gz VZYFCEVRQGTGGM-WBMJQRKESA-N 2 0 275.396 2.286 10 0 CEAERP CCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CCC([NH3+])CC1 ZINC000091852415 180273009 /nfs/dbraw/zinc/27/30/09/180273009.db2.gz GWWNLSXHKWGKRQ-UHFFFAOYSA-N 2 0 289.423 2.267 10 0 CEAERP C[N@H+](Cc1nnc(C(C)(C)C)o1)C1CCC([NH3+])CC1 ZINC000091847782 180271437 /nfs/dbraw/zinc/27/14/37/180271437.db2.gz KDYFTUPNESKLKW-UHFFFAOYSA-N 2 0 266.389 2.069 10 0 CEAERP CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCC([NH3+])CC1 ZINC000091850828 180272043 /nfs/dbraw/zinc/27/20/43/180272043.db2.gz AYUJUUOHWRQQNR-FXQLRMTLSA-N 2 0 295.471 2.368 10 0 CEAERP CC[N@H+](Cc1c(C)noc1C)C1CCC([NH3+])CC1 ZINC000091850088 180272262 /nfs/dbraw/zinc/27/22/62/180272262.db2.gz GKJPJNPZDRZVSU-UHFFFAOYSA-N 2 0 251.374 2.383 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)N(CC)CC)CC1 ZINC000091870141 180277390 /nfs/dbraw/zinc/27/73/90/180277390.db2.gz HAIVXGJOLCHQRG-UHFFFAOYSA-N 2 0 283.460 2.097 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CCc2scnc2C)CC1 ZINC000091872871 180278178 /nfs/dbraw/zinc/27/81/78/180278178.db2.gz AQUSKVWJKVOIFY-UHFFFAOYSA-N 2 0 267.442 2.456 10 0 CEAERP CCCC1CCC(C[NH3+])(C2(O)CC[NH+](C)CC2)CC1 ZINC000091906258 180284087 /nfs/dbraw/zinc/28/40/87/180284087.db2.gz MHFBORSDPLQLOH-UHFFFAOYSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@](O)([C@@H]1CCC[NH2+]C1)C1(C[NH3+])CCCCCC1 ZINC000091908010 180284354 /nfs/dbraw/zinc/28/43/54/180284354.db2.gz JLPHQWDUDYSQDA-KGLIPLIRSA-N 2 0 254.418 2.036 10 0 CEAERP Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000091996218 180302440 /nfs/dbraw/zinc/30/24/40/180302440.db2.gz ZOZGXGWBIPMCGJ-OCCSQVGLSA-N 2 0 263.385 2.045 10 0 CEAERP CCC[NH2+]Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092003329 180304163 /nfs/dbraw/zinc/30/41/63/180304163.db2.gz XYWYHUKGUYZPIS-CVEARBPZSA-N 2 0 288.439 2.254 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002217 180304706 /nfs/dbraw/zinc/30/47/06/180304706.db2.gz IBSXUWBUMYFFBP-CABCVRRESA-N 2 0 277.387 2.218 10 0 CEAERP CC(C)C[NH2+]CCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003641 180304988 /nfs/dbraw/zinc/30/49/88/180304988.db2.gz ALZFXNYNFXJYGK-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C ZINC000092082170 180319841 /nfs/dbraw/zinc/31/98/41/180319841.db2.gz KORMHJBRMZRMBG-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP C[NH2+]CCC1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092304509 180360645 /nfs/dbraw/zinc/36/06/45/180360645.db2.gz ZMLGWWXVVKHYGP-HNNXBMFYSA-N 2 0 274.408 2.484 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cc(C[NH3+])nc2ccccc21 ZINC000109589494 186265196 /nfs/dbraw/zinc/26/51/96/186265196.db2.gz RDUPRCYFROGLIS-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP CCC[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000109411493 186252083 /nfs/dbraw/zinc/25/20/83/186252083.db2.gz XZRKPYHJHCRDAT-MRXNPFEDSA-N 2 0 289.423 2.021 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H]1CCC[N@H+](C)C1 ZINC000110629704 186307178 /nfs/dbraw/zinc/30/71/78/186307178.db2.gz JBAQXDVLBCSSQN-SECBINFHSA-N 2 0 278.331 2.033 10 0 CEAERP CCCN(C1CC[NH+](CCC)CC1)[C@@H]1CCC[NH2+]C1 ZINC000110937837 186334680 /nfs/dbraw/zinc/33/46/80/186334680.db2.gz OECFVKHJMQQGCD-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(C)c(F)c1 ZINC000110977706 186339063 /nfs/dbraw/zinc/33/90/63/186339063.db2.gz FGJIRASYYSDQQZ-INIZCTEOSA-N 2 0 281.419 2.408 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)cc1F ZINC000110977946 186339548 /nfs/dbraw/zinc/33/95/48/186339548.db2.gz NJANLFSKDXVPOF-MRXNPFEDSA-N 2 0 279.403 2.162 10 0 CEAERP CC[C@@H]1CN([C@@H](c2cccc(OC)c2)[C@@H](C)[NH3+])CC[N@@H+]1C ZINC000110703918 186314106 /nfs/dbraw/zinc/31/41/06/186314106.db2.gz ORPVWMJRFRRPAG-FRFSOERESA-N 2 0 291.439 2.110 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2cccc(C)c2)CC[N@@H+]1C ZINC000110703803 186314442 /nfs/dbraw/zinc/31/44/42/186314442.db2.gz IOYQCNVWIJIRCA-HOTGVXAUSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[N@H+](C)[C@H](C)C2)c(C)s1 ZINC000110707212 186314793 /nfs/dbraw/zinc/31/47/93/186314793.db2.gz SIMJRILUOOJOEE-YGRLFVJLSA-N 2 0 267.442 2.001 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704916 186314798 /nfs/dbraw/zinc/31/47/98/186314798.db2.gz WPZXZWVNKPMRGH-HOCLYGCPSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H](c1ccccc1)[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711747 186315830 /nfs/dbraw/zinc/31/58/30/186315830.db2.gz NSPSFPRERFUEAK-HOCLYGCPSA-N 2 0 275.440 2.143 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000110712168 186316309 /nfs/dbraw/zinc/31/63/09/186316309.db2.gz YTKYYAOITCHZKH-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@@H](CN1CC[N@H+](C)[C@@H](CC)C1)C(C)(C)C ZINC000110715859 186316587 /nfs/dbraw/zinc/31/65/87/186316587.db2.gz OCUJVALZHBDAHF-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)C[C@@H]1C ZINC000110722173 186317122 /nfs/dbraw/zinc/31/71/22/186317122.db2.gz QCPZYWHSXHRMDW-ZFWWWQNUSA-N 2 0 274.412 2.080 10 0 CEAERP C[NH2+][C@@H](CCN1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC000110744339 186318639 /nfs/dbraw/zinc/31/86/39/186318639.db2.gz DDDIGDVKLYYNCF-BBRMVZONSA-N 2 0 279.403 2.112 10 0 CEAERP C[C@@H]1CN(CC2(C[NH2+]C3CC3)CCCCC2)CC[N@@H+]1C ZINC000110744963 186318823 /nfs/dbraw/zinc/31/88/23/186318823.db2.gz VAEXHQHDCXFOCN-OAHLLOKOSA-N 2 0 279.472 2.325 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000110746765 186319200 /nfs/dbraw/zinc/31/92/00/186319200.db2.gz BNPWIUDHRUWHIW-INIZCTEOSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H]1CN(Cc2ccc(C[NH2+]C3CC3)cc2)CC[N@@H+]1C ZINC000110753817 186319972 /nfs/dbraw/zinc/31/99/72/186319972.db2.gz BSGKGFZWEAHTAL-GOSISDBHSA-N 2 0 287.451 2.465 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C)c([C@@H](C)[NH3+])s2)C[C@@H]1C ZINC000110758560 186320182 /nfs/dbraw/zinc/32/01/82/186320182.db2.gz CTZPKOGIGJPNEM-VHSXEESVSA-N 2 0 268.430 2.002 10 0 CEAERP CCN1CC[N@@H+]([C@@H](C)CCC[NH2+]CC(C)C)C[C@@H]1C ZINC000110752486 186321187 /nfs/dbraw/zinc/32/11/87/186321187.db2.gz IQCJVSGMXPIQFW-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]1CN(CC[NH2+][C@@H](C)CCC(C)C)CC[N@@H+]1C ZINC000110757113 186322048 /nfs/dbraw/zinc/32/20/48/186322048.db2.gz KLRTVIXXNFOJCU-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]Cc1sc(N(C)CC[NH+](C)C)nc1CC ZINC000111151904 186360425 /nfs/dbraw/zinc/36/04/25/186360425.db2.gz ZVIGQMJYLOAULZ-UHFFFAOYSA-N 2 0 284.473 2.203 10 0 CEAERP CC(C)[NH2+]Cc1coc(CN(C)CCC[NH+](C)C)c1 ZINC000111150304 186360473 /nfs/dbraw/zinc/36/04/73/186360473.db2.gz FPGYXGCJWUQMKE-UHFFFAOYSA-N 2 0 267.417 2.161 10 0 CEAERP CN(CC[NH+](C)C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000111151302 186361134 /nfs/dbraw/zinc/36/11/34/186361134.db2.gz QEDUAOHXOUJHMU-UHFFFAOYSA-N 2 0 270.446 2.029 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136751 186356957 /nfs/dbraw/zinc/35/69/57/186356957.db2.gz BTBXRNLDSOUIOT-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@@H](CN(C)CC[NH+](C)C)c1cc(C)ccc1C ZINC000111134947 186357395 /nfs/dbraw/zinc/35/73/95/186357395.db2.gz MHJREYKEUKVEGO-KRWDZBQOSA-N 2 0 277.456 2.447 10 0 CEAERP CC[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccccc1OC ZINC000111135940 186357502 /nfs/dbraw/zinc/35/75/02/186357502.db2.gz OVZPZRFDEIQDAH-MRXNPFEDSA-N 2 0 293.455 2.229 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1CN(C)CC[NH+](C)C ZINC000111149556 186358923 /nfs/dbraw/zinc/35/89/23/186358923.db2.gz RPUSFPOYTDAORL-UHFFFAOYSA-N 2 0 263.429 2.178 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1CN(C)CC[NH+](C)C ZINC000111147390 186359007 /nfs/dbraw/zinc/35/90/07/186359007.db2.gz ZWBHOZSRHJAJJS-GJZGRUSLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)CCC[NH+](C)C ZINC000111148244 186359225 /nfs/dbraw/zinc/35/92/25/186359225.db2.gz BJXRXSSJDYVNLV-HZPDHXFCSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]C[C@](C)(CC)CN(C)CCC[NH+](C)C ZINC000111147807 186359536 /nfs/dbraw/zinc/35/95/36/186359536.db2.gz XMJBNGAGVKEFTE-HNNXBMFYSA-N 2 0 257.466 2.286 10 0 CEAERP CCC[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C[C@@H]1C ZINC000111164246 186363715 /nfs/dbraw/zinc/36/37/15/186363715.db2.gz LBDWIHRLCRCGKY-DZGCQCFKSA-N 2 0 254.418 2.123 10 0 CEAERP C[N@H+](CC1CCOCC1)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000111164140 186364235 /nfs/dbraw/zinc/36/42/35/186364235.db2.gz CSBRHPVBXGSBEF-HNNXBMFYSA-N 2 0 275.396 2.412 10 0 CEAERP C[N@H+](CC1CCOCC1)C[C@@]1(C[NH2+]C(C)(C)C)CCOC1 ZINC000111172947 186364619 /nfs/dbraw/zinc/36/46/19/186364619.db2.gz LGFBHUMQOOZZIY-KRWDZBQOSA-N 2 0 298.471 2.140 10 0 CEAERP C[NH2+][C@H](CC[N@H+](C)CC1CCOCC1)C(C)(C)C ZINC000111172677 186365841 /nfs/dbraw/zinc/36/58/41/186365841.db2.gz WSJVNFBNORLTAP-CQSZACIVSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)[NH2+]C[C@]1(C[N@@H+]2CCCC[C@@H]2CCO)CCCOC1 ZINC000111324390 186397331 /nfs/dbraw/zinc/39/73/31/186397331.db2.gz NGKLGQUSAFIELF-SJORKVTESA-N 2 0 298.471 2.018 10 0 CEAERP COCC[N@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111327275 186398118 /nfs/dbraw/zinc/39/81/18/186398118.db2.gz KCIFTSBCGRSQLR-QGZVFWFLSA-N 2 0 298.471 2.282 10 0 CEAERP CCCN(CC[NH+](C)C)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111327472 186398375 /nfs/dbraw/zinc/39/83/75/186398375.db2.gz DZNIGLKCPIRGGO-QGZVFWFLSA-N 2 0 299.503 2.055 10 0 CEAERP CCC[N@H+](C)C[C@@]1(C[NH2+]CC(C)C)CCCOC1 ZINC000111324797 186398514 /nfs/dbraw/zinc/39/85/14/186398514.db2.gz AHMVGNKRUADUBA-HNNXBMFYSA-N 2 0 256.434 2.371 10 0 CEAERP CC[N@H+](Cc1cccs1)C[C@]1(C[NH3+])CCCOC1 ZINC000111327734 186399851 /nfs/dbraw/zinc/39/98/51/186399851.db2.gz RNUNPPZSOUMSQV-CQSZACIVSA-N 2 0 268.426 2.326 10 0 CEAERP CN(CCC[NH+](C)C)c1cccc(Cl)c1C[NH3+] ZINC000111238959 186374295 /nfs/dbraw/zinc/37/42/95/186374295.db2.gz HAFAPICKNQVOIW-UHFFFAOYSA-N 2 0 255.793 2.187 10 0 CEAERP C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000111265188 186381305 /nfs/dbraw/zinc/38/13/05/186381305.db2.gz NHKQNFRFZCHRCI-XJKSGUPXSA-N 2 0 287.407 2.076 10 0 CEAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c1 ZINC000111266777 186382486 /nfs/dbraw/zinc/38/24/86/186382486.db2.gz UXXVGHPWXSQZIY-XJKSGUPXSA-N 2 0 289.423 2.322 10 0 CEAERP CCCCCNC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH2+]C)CC1 ZINC000111708701 186449533 /nfs/dbraw/zinc/44/95/33/186449533.db2.gz PVWPRSKLUGBDBU-UONOGXRCSA-N 2 0 283.460 2.001 10 0 CEAERP O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000250808538 539968799 /nfs/dbraw/zinc/96/87/99/539968799.db2.gz CWOZNEXTFRSPGE-ZVDSWSACSA-N 2 0 266.429 2.190 10 0 CEAERP C[N@H+](CCCN[C@@H]1CCC[NH2+]CC1)Cc1ccccc1 ZINC000133539788 366234219 /nfs/dbraw/zinc/23/42/19/366234219.db2.gz YUYJCBBBPQJYDF-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP [NH3+]CCC1(O)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000675050669 540060394 /nfs/dbraw/zinc/06/03/94/540060394.db2.gz GXDJUHUNRNETON-UHFFFAOYSA-N 2 0 282.387 2.172 10 0 CEAERP [NH3+]CCCC[C@H]([NH3+])c1cc(O)ccc1Br ZINC000575440162 366287515 /nfs/dbraw/zinc/28/75/15/366287515.db2.gz LTTRUAMAPHFEMW-NSHDSACASA-N 2 0 273.174 2.284 10 0 CEAERP C[C@H]([NH2+]CCc1cccc2cccnc21)[C@H]1CC[NH2+]C1 ZINC000400331541 299300919 /nfs/dbraw/zinc/30/09/19/299300919.db2.gz BZYXDPXNTBCDDZ-BBRMVZONSA-N 2 0 269.392 2.365 10 0 CEAERP C[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150771518 366597363 /nfs/dbraw/zinc/59/73/63/366597363.db2.gz RWXNHSBGCUMMRV-AEFFLSMTSA-N 2 0 288.435 2.312 10 0 CEAERP CCC[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[NH+](C)C ZINC000153673284 366736160 /nfs/dbraw/zinc/73/61/60/366736160.db2.gz PSQPHGQMORNGPI-HOTGVXAUSA-N 2 0 295.471 2.194 10 0 CEAERP COc1ccc(C[C@H]([NH3+])c2cccn2CC[NH+](C)C)cc1 ZINC000011848796 361366460 /nfs/dbraw/zinc/36/64/60/361366460.db2.gz XECVJFSYTZBFIL-INIZCTEOSA-N 2 0 287.407 2.301 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc2nccn2c1 ZINC000175045545 368092865 /nfs/dbraw/zinc/09/28/65/368092865.db2.gz HFUDOWSZBQZRTG-HUUCEWRRSA-N 2 0 298.390 2.033 10 0 CEAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2C=CCCC2)CC1 ZINC000246313419 370944669 /nfs/dbraw/zinc/94/46/69/370944669.db2.gz YWDLMEJQBMBKFW-GOEBONIOSA-N 2 0 266.429 2.120 10 0 CEAERP CC(C)[NH+]1CCN(C2CC[NH+](C3CCC3)CC2)CC1 ZINC000336511954 213387972 /nfs/dbraw/zinc/38/79/72/213387972.db2.gz ANCRDWKZTQVVKD-UHFFFAOYSA-N 2 0 265.445 2.029 10 0 CEAERP CCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000236813331 370632879 /nfs/dbraw/zinc/63/28/79/370632879.db2.gz SUCCNPHBMFHTFP-INIZCTEOSA-N 2 0 295.471 2.228 10 0 CEAERP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)([NH+](C)C)C1 ZINC000251791485 371416799 /nfs/dbraw/zinc/41/67/99/371416799.db2.gz LPJGKLYALOZBFX-DLTWYDFYSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1ccc(C)c(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261705946 371707522 /nfs/dbraw/zinc/70/75/22/371707522.db2.gz IYYWYKYXPCFQIV-JYJNAYRXSA-N 2 0 274.408 2.351 10 0 CEAERP C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261745693 371718156 /nfs/dbraw/zinc/71/81/56/371718156.db2.gz BSWHCNHPLOYDGG-IIAWOOMASA-N 2 0 259.397 2.464 10 0 CEAERP C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1noc(CN)n1 ZINC000261743688 371718254 /nfs/dbraw/zinc/71/82/54/371718254.db2.gz MVLDCBSHAYLNMD-ZYHUDNBSSA-N 2 0 290.342 2.045 10 0 CEAERP CC[N@H+](Cc1cccc(C(=O)OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261988626 371790516 /nfs/dbraw/zinc/79/05/16/371790516.db2.gz SCLJGRCZPWFGAU-MRXNPFEDSA-N 2 0 290.407 2.437 10 0 CEAERP C[C@H]1CN(CCSCc2ccccc2)C[C@H]1[NH3+] ZINC000262048322 371810980 /nfs/dbraw/zinc/81/09/80/371810980.db2.gz PYIHBLSMVZNJDS-GXTWGEPZSA-N 2 0 250.411 2.199 10 0 CEAERP O[C@H](C[NH2+]C1CCC2(CC2)CC1)C[NH+]1CCCCC1 ZINC000362918818 372571645 /nfs/dbraw/zinc/57/16/45/372571645.db2.gz QAYTWSMGQYBZAJ-OAHLLOKOSA-N 2 0 266.429 2.146 10 0 CEAERP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)nc(C)n1 ZINC000272865732 373686777 /nfs/dbraw/zinc/68/67/77/373686777.db2.gz MVZQISBTRGBRKS-CABCVRRESA-N 2 0 274.412 2.410 10 0 CEAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000423098047 376990713 /nfs/dbraw/zinc/99/07/13/376990713.db2.gz JUMWREJQLZLYJX-RGCMKSIDSA-N 2 0 254.418 2.310 10 0 CEAERP CC(C)(C)[C@H](O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251235 378696115 /nfs/dbraw/zinc/69/61/15/378696115.db2.gz DLDOJMRNMLHHMX-OAHLLOKOSA-N 2 0 277.412 2.047 10 0 CEAERP C[NH2+][C@H](C)c1ccc(NC(=O)NCCCC[NH+](C)C)cc1 ZINC000041685375 184552842 /nfs/dbraw/zinc/55/28/42/184552842.db2.gz HDKWNIYBHBRXNF-CYBMUJFWSA-N 2 0 292.427 2.430 10 0 CEAERP C[NH+](C)CCCN[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000093493316 184684348 /nfs/dbraw/zinc/68/43/48/184684348.db2.gz FJQVGKBEPHMGLC-XHSDSOJGSA-N 2 0 267.461 2.229 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996374 177751118 /nfs/dbraw/zinc/75/11/18/177751118.db2.gz DLGAVWBTBWSDMQ-INIZCTEOSA-N 2 0 297.487 2.345 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094361527 184789118 /nfs/dbraw/zinc/78/91/18/184789118.db2.gz AFPOBINSNXLKCI-UKRRQHHQSA-N 2 0 298.496 2.490 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000094383935 184792436 /nfs/dbraw/zinc/79/24/36/184792436.db2.gz PJZVNTBFOJUFFG-OAHLLOKOSA-N 2 0 298.496 2.363 10 0 CEAERP C[C@@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400545968 533458374 /nfs/dbraw/zinc/45/83/74/533458374.db2.gz WBFTUECCYXFGCW-TZMCWYRMSA-N 2 0 255.365 2.322 10 0 CEAERP OC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000089495841 135059291 /nfs/dbraw/zinc/05/92/91/135059291.db2.gz LYTJXPYFSLOKJY-LSDHHAIUSA-N 2 0 289.423 2.049 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000089482655 135059471 /nfs/dbraw/zinc/05/94/71/135059471.db2.gz ZCDLUZOGHSZJSB-GJZGRUSLSA-N 2 0 291.414 2.323 10 0 CEAERP C[C@@H]([NH3+])C(C)(C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000091402376 135068853 /nfs/dbraw/zinc/06/88/53/135068853.db2.gz QPQBSNPPBAUCJG-CQSZACIVSA-N 2 0 261.413 2.182 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cc(C[NH3+])c3ccccc3n2)C1 ZINC000091394368 135068989 /nfs/dbraw/zinc/06/89/89/135068989.db2.gz PREHUSRNPDSNOV-CQSZACIVSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2nc(C[NH3+])cc3ccccc32)C1 ZINC000091430827 135070041 /nfs/dbraw/zinc/07/00/41/135070041.db2.gz ZIVRAZLWINJAPE-OAHLLOKOSA-N 2 0 284.407 2.224 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000092208964 135076166 /nfs/dbraw/zinc/07/61/66/135076166.db2.gz ICNRQDPZXQLCJF-HIFRSBDPSA-N 2 0 291.826 2.365 10 0 CEAERP C[C@H]([NH2+]CCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000415095256 394888128 /nfs/dbraw/zinc/88/81/28/394888128.db2.gz ZELHZDARFHDNBV-WCQYABFASA-N 2 0 252.789 2.470 10 0 CEAERP C[C@@H]([NH2+]CCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000415095257 394888198 /nfs/dbraw/zinc/88/81/98/394888198.db2.gz ZELHZDARFHDNBV-YPMHNXCESA-N 2 0 252.789 2.470 10 0 CEAERP CC(C)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000037019524 400114489 /nfs/dbraw/zinc/11/44/89/400114489.db2.gz SOMBOCHTDUGZHR-CQSZACIVSA-N 2 0 263.385 2.060 10 0 CEAERP CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000192571284 153212234 /nfs/dbraw/zinc/21/22/34/153212234.db2.gz OZQRPDCRBADLEU-UHFFFAOYSA-N 2 0 299.422 2.319 10 0 CEAERP C[NH+]1CCC(C)(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000227496795 153341974 /nfs/dbraw/zinc/34/19/74/153341974.db2.gz SYAZSVBGBRFGOT-MCIONIFRSA-N 2 0 266.429 2.121 10 0 CEAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000165700469 162343018 /nfs/dbraw/zinc/34/30/18/162343018.db2.gz MCWCZBPYNSSYOU-LSDHHAIUSA-N 2 0 295.471 2.084 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000177030678 165184964 /nfs/dbraw/zinc/18/49/64/165184964.db2.gz ZGLJTJDJHHOINB-INIZCTEOSA-N 2 0 295.471 2.050 10 0 CEAERP CCc1nccn1[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000178980994 165268285 /nfs/dbraw/zinc/26/82/85/165268285.db2.gz HLDSGQRSRUBJKL-OAHLLOKOSA-N 3 0 276.428 2.082 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N1CC[NH+](CC)CC1 ZINC000020260058 171116150 /nfs/dbraw/zinc/11/61/50/171116150.db2.gz YIWUMKODFNNSNO-HOTGVXAUSA-N 2 0 261.413 2.103 10 0 CEAERP C[N@H+](CC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000022222830 171379164 /nfs/dbraw/zinc/37/91/64/171379164.db2.gz OYIVNLOQIRXFGU-UHFFFAOYSA-N 2 0 275.396 2.348 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]C2CCOCC2)CC1 ZINC000036319123 172600522 /nfs/dbraw/zinc/60/05/22/172600522.db2.gz KFJGDQPHBWKQLU-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP CCN1CCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037210239 173032998 /nfs/dbraw/zinc/03/29/98/173032998.db2.gz IHWIKYSMECVTHS-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000037221776 173042107 /nfs/dbraw/zinc/04/21/07/173042107.db2.gz UJOWKLVZHPENHV-YDHLFZDLSA-N 2 0 254.418 2.264 10 0 CEAERP CC[C@@H](C)[NH2+]CC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000037616931 173565624 /nfs/dbraw/zinc/56/56/24/173565624.db2.gz UWDUYSLHMMLERN-ZIAGYGMSSA-N 2 0 271.449 2.001 10 0 CEAERP COc1ccc([C@H](C[NH3+])CC[NH+](C)C)cc1Cl ZINC000041327448 174524019 /nfs/dbraw/zinc/52/40/19/174524019.db2.gz QQJSBWKPKSMQKN-NSHDSACASA-N 2 0 256.777 2.343 10 0 CEAERP CC[NH+](CC)CCNC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000041709423 174611755 /nfs/dbraw/zinc/61/17/55/174611755.db2.gz KCYXASROTKSTCZ-GFCCVEGCSA-N 2 0 278.400 2.170 10 0 CEAERP c1ccc(N[C@H]2CCC[NH2+]C2)c(C[NH+]2CCCC2)c1 ZINC000043326718 175008216 /nfs/dbraw/zinc/00/82/16/175008216.db2.gz FUWJVLUIOYNVJS-HNNXBMFYSA-N 2 0 259.397 2.446 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334452 175010363 /nfs/dbraw/zinc/01/03/63/175010363.db2.gz JZPXRGMXFKWWLM-ZFWWWQNUSA-N 2 0 265.401 2.084 10 0 CEAERP C[C@H]([NH3+])[C@H](N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000043377991 175030373 /nfs/dbraw/zinc/03/03/73/175030373.db2.gz BQAUKTHDZRALQW-AAEUAGOBSA-N 2 0 293.377 2.215 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1 ZINC000043394402 175034996 /nfs/dbraw/zinc/03/49/96/175034996.db2.gz KBWLWUINLMSSDD-SFHVURJKSA-N 2 0 287.451 2.331 10 0 CEAERP c1ccc(OCC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000043458097 175050452 /nfs/dbraw/zinc/05/04/52/175050452.db2.gz GTZIAHFDFWZXKT-AWEZNQCLSA-N 2 0 260.381 2.139 10 0 CEAERP CCC[NH+]1CCN([C@@H](C)[C@@H]([NH2+]C)c2ccccc2)CC1 ZINC000043805214 175107913 /nfs/dbraw/zinc/10/79/13/175107913.db2.gz JYUMMGUCPFFKCS-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC)CC1 ZINC000043806169 175108540 /nfs/dbraw/zinc/10/85/40/175108540.db2.gz IJNLSCLYBWZJSD-JYJNAYRXSA-N 2 0 267.461 2.181 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000043810493 175109615 /nfs/dbraw/zinc/10/96/15/175109615.db2.gz PWUPRWSOBGOQAO-DLBZAZTESA-N 2 0 275.440 2.219 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2CC[C@@H]1N1CC[NH+](C)CC1 ZINC000043811076 175110046 /nfs/dbraw/zinc/11/00/46/175110046.db2.gz WVZYJQMQDJOQST-ROUUACIJSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@@H](CN(C)C1CC[NH+](C)CC1)C(C)(C)C ZINC000043815312 175112149 /nfs/dbraw/zinc/11/21/49/175112149.db2.gz HLBOVMBAZISCIU-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815348 175112522 /nfs/dbraw/zinc/11/25/22/175112522.db2.gz ASIDSLZKTLAGCK-ZWKOTPCHSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818308 175113032 /nfs/dbraw/zinc/11/30/32/175113032.db2.gz ZQCAMCNAHSJPHR-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1[NH+]1CCC(OC)CC1 ZINC000043889933 175117415 /nfs/dbraw/zinc/11/74/15/175117415.db2.gz ADEZPPONPWIKGT-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000043897160 175119950 /nfs/dbraw/zinc/11/99/50/175119950.db2.gz YLDZAMIUMQMTAA-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[C@H]([NH2+]C)[C@H](CC)N1CCC([NH+](C)C)CC1 ZINC000043897333 175120043 /nfs/dbraw/zinc/12/00/43/175120043.db2.gz JAEIPMXVYZGTSF-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967720 175129071 /nfs/dbraw/zinc/12/90/71/175129071.db2.gz RLAJGIUHYTWIEL-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP C[N@H+](CCC(=O)Nc1cccc(C[NH3+])c1)CC(C)(C)C ZINC000045068533 175300725 /nfs/dbraw/zinc/30/07/25/175300725.db2.gz PAPHOZBBPXMNOY-UHFFFAOYSA-N 2 0 277.412 2.452 10 0 CEAERP CCC[NH2+]C1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000045135354 175313138 /nfs/dbraw/zinc/31/31/38/175313138.db2.gz GJZOWKULQFVJAW-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCCCC2)C1 ZINC000045135558 175313547 /nfs/dbraw/zinc/31/35/47/175313547.db2.gz GBJQBZYWYYZCRI-HNNXBMFYSA-N 2 0 295.471 2.132 10 0 CEAERP CCCC[N@H+](C)CCCC[C@@](C)([NH2+]CCC)C(N)=O ZINC000045368261 175362997 /nfs/dbraw/zinc/36/29/97/175362997.db2.gz UNBXVFSJZJZQTG-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[NH+]1CCCCCCC1)C(N)=O ZINC000045371449 175364228 /nfs/dbraw/zinc/36/42/28/175364228.db2.gz XVQAJPYGJVBCHU-INIZCTEOSA-N 2 0 283.460 2.276 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@]2(C[NH3+])CCO[C@@](C)(CC)C2)C1 ZINC000070366307 175895988 /nfs/dbraw/zinc/89/59/88/175895988.db2.gz DATREHYOJAHHJN-ULQDDVLXSA-N 2 0 297.487 2.079 10 0 CEAERP C[N@H+](Cc1ccc(CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000070542582 175977936 /nfs/dbraw/zinc/97/79/36/175977936.db2.gz IAGKHYDJSLPGIT-CQSZACIVSA-N 2 0 250.411 2.125 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])([N@H+](CCOC)C2CC2)C1 ZINC000071123980 176035223 /nfs/dbraw/zinc/03/52/23/176035223.db2.gz HWJPUQGDPCVPBB-DZGCQCFKSA-N 2 0 254.418 2.395 10 0 CEAERP CC[C@@H]1CCC[C@@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC000071147415 176043107 /nfs/dbraw/zinc/04/31/07/176043107.db2.gz BPUDZCIAFFMMSU-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H](C[NH3+])CN1CCC[N@@H+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000071147453 176043416 /nfs/dbraw/zinc/04/34/16/176043416.db2.gz AXXHMLCWCJSBRX-OWCLPIDISA-N 2 0 267.461 2.168 10 0 CEAERP C[C@@H]1CCC[C@@H]([NH+]2CCN(CCCCC[NH3+])CC2)C1 ZINC000071147468 176043526 /nfs/dbraw/zinc/04/35/26/176043526.db2.gz DFGUEQGLJWGHKJ-HZPDHXFCSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000071162116 176046304 /nfs/dbraw/zinc/04/63/04/176046304.db2.gz HIHZWAVPTGNBJV-ARFHVFGLSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH2+][C@@H](CN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1C ZINC000071188853 176063616 /nfs/dbraw/zinc/06/36/16/176063616.db2.gz DNHXINZNXWMPKA-WBVHZDCISA-N 2 0 275.440 2.139 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188914 176063804 /nfs/dbraw/zinc/06/38/04/176063804.db2.gz VEKYICADVUSPIG-FPCVCCKLSA-N 2 0 267.461 2.037 10 0 CEAERP CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071189006 176064850 /nfs/dbraw/zinc/06/48/50/176064850.db2.gz SHDZSXLJPIVJBK-KLHDSHLOSA-N 2 0 267.461 2.037 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190067 176065889 /nfs/dbraw/zinc/06/58/89/176065889.db2.gz GWFLSGXPGCGHQQ-CYBMUJFWSA-N 2 0 279.403 2.323 10 0 CEAERP CC[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190587 176066869 /nfs/dbraw/zinc/06/68/69/176066869.db2.gz FLUJEAHBDVTLQY-PVAVHDDUSA-N 2 0 276.424 2.382 10 0 CEAERP C[N@H+](CCNc1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071192410 176073477 /nfs/dbraw/zinc/07/34/77/176073477.db2.gz QMDJARJVNALDNZ-ZDUSSCGKSA-N 2 0 265.376 2.121 10 0 CEAERP C[NH2+][C@@H]1CCCc2nc(N(C)C[C@@H]3CC[N@H+](C)C3)sc21 ZINC000071192516 176074925 /nfs/dbraw/zinc/07/49/25/176074925.db2.gz YUBPFWMSXGSOIH-VXGBXAGGSA-N 2 0 294.468 2.128 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000071200148 176077169 /nfs/dbraw/zinc/07/71/69/176077169.db2.gz LVENISBNRJJGCS-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@H]1CCCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000071201180 176077445 /nfs/dbraw/zinc/07/74/45/176077445.db2.gz XYJOXESBXOJMHQ-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP NC(=[NH2+])c1cc(F)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000071267880 176101435 /nfs/dbraw/zinc/10/14/35/176101435.db2.gz DGPPHAQDMOVQDV-UHFFFAOYSA-N 2 0 293.386 2.237 10 0 CEAERP CN1CCC[C@@H]([N@H+](C)CCCCCC[NH2+]C2CC2)C1 ZINC000071289775 176110287 /nfs/dbraw/zinc/11/02/87/176110287.db2.gz LOTHYSOLXIMJEJ-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+]CCCCCC[N@@H+]1CCN(C)[C@@H](CC)C1 ZINC000071290102 176110587 /nfs/dbraw/zinc/11/05/87/176110587.db2.gz XZGVSIXUZRRTCV-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP Cc1ccc(OCC[NH+]2CCCC2)c(C[C@H](C)[NH3+])c1 ZINC000071411876 176157416 /nfs/dbraw/zinc/15/74/16/176157416.db2.gz LLUIYFMXRWPMGI-AWEZNQCLSA-N 2 0 262.397 2.359 10 0 CEAERP CC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000079212070 177447663 /nfs/dbraw/zinc/44/76/63/177447663.db2.gz BCNKANIYDUGNQM-HUUCEWRRSA-N 2 0 285.476 2.234 10 0 CEAERP CC[NH+]1CCC([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000223812085 260370338 /nfs/dbraw/zinc/37/03/38/260370338.db2.gz BTWHEMKFLXEGGU-CYBMUJFWSA-N 2 0 299.459 2.364 10 0 CEAERP C[C@@H]1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000423105581 270838653 /nfs/dbraw/zinc/83/86/53/270838653.db2.gz QVWCMCMQVCKGBP-RDVBPZLGSA-N 2 0 252.402 2.063 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H](C)O1 ZINC000343585565 274283255 /nfs/dbraw/zinc/28/32/55/274283255.db2.gz BVOQBXMWBOMXRS-RRCSTGOVSA-N 2 0 266.429 2.406 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1Cl ZINC000261544982 274858697 /nfs/dbraw/zinc/85/86/97/274858697.db2.gz FLNRJHLMAUSQCV-QWRGUYRKSA-N 2 0 251.761 2.232 10 0 CEAERP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C[NH+](C)C)CC(C)(C)C1 ZINC000131389108 279955654 /nfs/dbraw/zinc/95/56/54/279955654.db2.gz MJCOYVYJNOHFPR-IPYPFGDCSA-N 2 0 256.434 2.103 10 0 CEAERP C[C@@]1(c2nc(-c3ccc(C[NH3+])cc3)no2)CCCC[NH2+]1 ZINC000262110951 289217215 /nfs/dbraw/zinc/21/72/15/289217215.db2.gz WJUCQGVUHPGBIY-HNNXBMFYSA-N 2 0 272.352 2.184 10 0 CEAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C[NH+]1CCCC1 ZINC000085638265 298787261 /nfs/dbraw/zinc/78/72/61/298787261.db2.gz NEELHVFIBRPXRD-BARDWOONSA-N 2 0 266.429 2.121 10 0 CEAERP C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000566967547 299032401 /nfs/dbraw/zinc/03/24/01/299032401.db2.gz GWMZKUWRQGAZHN-BHPKHCPMSA-N 2 0 254.418 2.168 10 0 CEAERP CC(C)(C)[C@@H](C[NH3+])N1CCC(C[NH+]2CCCC2)CC1 ZINC000062037988 518917140 /nfs/dbraw/zinc/91/71/40/518917140.db2.gz NAMRVXCPRMDEPS-OAHLLOKOSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[NH2+]CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000048551209 519720633 /nfs/dbraw/zinc/72/06/33/519720633.db2.gz BYUFYCYNHLFBKE-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)C[NH+]1CCN(CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000055076029 519726026 /nfs/dbraw/zinc/72/60/26/519726026.db2.gz FFSOTZTZRIINCK-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH2+]CCCC[N@H+](C)C1CCN(C)CC1 ZINC000052419763 519743111 /nfs/dbraw/zinc/74/31/11/519743111.db2.gz HJBPESQAEJHXDS-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccs2)CC1 ZINC000053487505 519859726 /nfs/dbraw/zinc/85/97/26/519859726.db2.gz UNGTYPFDHGSFPZ-CQSZACIVSA-N 2 0 281.469 2.254 10 0 CEAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC[N@H+](C)CC ZINC000054602287 519907401 /nfs/dbraw/zinc/90/74/01/519907401.db2.gz TWBVTZJNZZJBGX-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCC[NH+](CC)CC ZINC000054626729 519911213 /nfs/dbraw/zinc/91/12/13/519911213.db2.gz VJDDFFACSBLILH-MQVJKMGUSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CC)CCOC)cc1 ZINC000052542769 519996915 /nfs/dbraw/zinc/99/69/15/519996915.db2.gz KLLVDQRUUJUYNB-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]Cc1cccc(C[N@H+](C)[C@@H](C)COC)c1 ZINC000052511402 520003432 /nfs/dbraw/zinc/00/34/32/520003432.db2.gz DTFUQKRDHRUPIB-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](C)[C@H]1CCSC1 ZINC000052453161 520010818 /nfs/dbraw/zinc/01/08/18/520010818.db2.gz VQYPFVWPRRDUOV-LBPRGKRZSA-N 2 0 254.399 2.326 10 0 CEAERP CC[NH2+]Cc1cccc(OCC[N@H+](CC)CCOC)c1 ZINC000052542710 520006259 /nfs/dbraw/zinc/00/62/59/520006259.db2.gz HOPCAWNQNRNBCX-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CC[NH2+][C@@H](C)CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000061272850 520064065 /nfs/dbraw/zinc/06/40/65/520064065.db2.gz AEHWAMUNOBAXER-AWEZNQCLSA-N 2 0 283.460 2.145 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055079157 520213480 /nfs/dbraw/zinc/21/34/80/520213480.db2.gz QKGLPAWZFDHCMJ-HOTGVXAUSA-N 2 0 267.461 2.181 10 0 CEAERP CCCc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]CC ZINC000054968939 521532152 /nfs/dbraw/zinc/53/21/52/521532152.db2.gz AJXIWANEGOZEMZ-UHFFFAOYSA-N 2 0 296.484 2.347 10 0 CEAERP CCC(CC)[N@H+](CCOC)Cc1ccnc(C(N)=[NH2+])c1 ZINC000068761631 521559225 /nfs/dbraw/zinc/55/92/25/521559225.db2.gz FEANCIBHVDPMBN-UHFFFAOYSA-N 2 0 278.400 2.003 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C)c(C[NH2+]CC)o1 ZINC000052544306 521656554 /nfs/dbraw/zinc/65/65/54/521656554.db2.gz JAAALZYXHLBEAG-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(F)c(C)c1 ZINC000050558621 521657559 /nfs/dbraw/zinc/65/75/59/521657559.db2.gz GMHOEVVRUPKASG-INIZCTEOSA-N 2 0 281.419 2.408 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979464 522377344 /nfs/dbraw/zinc/37/73/44/522377344.db2.gz NURSAJBKKCPOAS-XHSDSOJGSA-N 2 0 265.445 2.077 10 0 CEAERP C1C[NH2+][C@H](C2CC[NH+](C3CCC4(CC3)OCCO4)CC2)C1 ZINC000063198034 518579681 /nfs/dbraw/zinc/57/96/81/518579681.db2.gz BPQFEGATGFNPMS-INIZCTEOSA-N 2 0 294.439 2.136 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602421 519335598 /nfs/dbraw/zinc/33/55/98/519335598.db2.gz QEIWIUBBJOFTPB-WTXIUTQJSA-N 2 0 267.461 2.307 10 0 CEAERP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[C@H](CC[NH3+])C1)C(C)C ZINC000055146210 519647490 /nfs/dbraw/zinc/64/74/90/519647490.db2.gz NKNNYWFFMOMCLV-HZPDHXFCSA-N 2 0 297.487 2.377 10 0 CEAERP CC(C)[NH+]1CCN(c2ccc(Cl)cc2C[NH3+])CC1 ZINC000052856876 519683672 /nfs/dbraw/zinc/68/36/72/519683672.db2.gz JEQJWLZLWAOTAG-UHFFFAOYSA-N 2 0 267.804 2.329 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](C)CC[NH2+]C1CC1 ZINC000052503424 519716854 /nfs/dbraw/zinc/71/68/54/519716854.db2.gz RPXISYQQTKONLT-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH+](Cc1cc[nH+]c(NN)c1)CC(C)C ZINC000052718890 519718515 /nfs/dbraw/zinc/71/85/15/519718515.db2.gz VQWGZRQSTFJPSC-UHFFFAOYSA-N 2 0 250.390 2.481 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477736 519720844 /nfs/dbraw/zinc/72/08/44/519720844.db2.gz BISLSODCKXBBLD-CQSZACIVSA-N 3 0 255.450 2.179 10 0 CEAERP CC(C)C[NH+]1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401569 519726971 /nfs/dbraw/zinc/72/69/71/519726971.db2.gz HYWRVHOTNYMXMK-UHFFFAOYSA-N 2 0 279.403 2.058 10 0 CEAERP CC(C)C[NH+]1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000055077703 519727214 /nfs/dbraw/zinc/72/72/14/519727214.db2.gz WZOVYEWSOHFTPM-UHFFFAOYSA-N 2 0 279.403 2.058 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055077656 519727564 /nfs/dbraw/zinc/72/75/64/519727564.db2.gz FIZMUSQLCXMBJC-KRWDZBQOSA-N 2 0 275.440 2.350 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CCN(CC(C)(C)C[NH+](C)C)C1 ZINC000053010821 519744775 /nfs/dbraw/zinc/74/47/75/519744775.db2.gz CEAYRRMLOQHCAT-HNNXBMFYSA-N 2 0 269.477 2.142 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481029 519746331 /nfs/dbraw/zinc/74/63/31/519746331.db2.gz VBPCZYJLOBJEOH-SJORKVTESA-N 2 0 291.439 2.307 10 0 CEAERP CCCN1CCC([N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C)C3)CC1 ZINC000054628830 519844932 /nfs/dbraw/zinc/84/49/32/519844932.db2.gz DWLMHDGBVNRRIV-VHRNVKJDSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)COC ZINC000054628940 519908566 /nfs/dbraw/zinc/90/85/66/519908566.db2.gz ORFWAWAVJOTAJW-FFHGMXDLSA-N 2 0 254.418 2.264 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000055072132 519908703 /nfs/dbraw/zinc/90/87/03/519908703.db2.gz RYNVZNKZKRQZKB-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]CC1(C[N@H+](CCOC)[C@H](C)C2CC2)CCOCC1 ZINC000052183370 519912681 /nfs/dbraw/zinc/91/26/81/519912681.db2.gz AMHWHXNXMBAWDP-OAHLLOKOSA-N 2 0 298.471 2.140 10 0 CEAERP CCC[NH2+]Cc1ccc(COCC[NH+](C)C)cc1 ZINC000052669819 519950386 /nfs/dbraw/zinc/95/03/86/519950386.db2.gz YDWIEKQBUFXFDP-UHFFFAOYSA-N 2 0 250.386 2.264 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccc(C)o2)O1 ZINC000052455893 519977836 /nfs/dbraw/zinc/97/78/36/519977836.db2.gz ZTUXBZUPZNZGFM-HIFRSBDPSA-N 2 0 266.385 2.177 10 0 CEAERP CC[NH2+]Cc1ccnc(N2CC[NH+]([C@H](C)CC)CC2)c1 ZINC000055073480 520010688 /nfs/dbraw/zinc/01/06/88/520010688.db2.gz XBMRYGNSDRUHPR-CQSZACIVSA-N 2 0 276.428 2.112 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554618 520026166 /nfs/dbraw/zinc/02/61/66/520026166.db2.gz SRXYXIRGLBNXCD-BBWFWOEESA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H](C)c1sc(N2CCC[N@H+](C)CC2)nc1C ZINC000054899076 520081708 /nfs/dbraw/zinc/08/17/08/520081708.db2.gz QVIPZZXOFVHSAF-NSHDSACASA-N 2 0 282.457 2.264 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643575 520125723 /nfs/dbraw/zinc/12/57/23/520125723.db2.gz JMPFYCBBMKTRQE-KBAYOESNSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N1CCC[C@@H]1C[NH+](C)C ZINC000061643576 520223911 /nfs/dbraw/zinc/22/39/11/520223911.db2.gz JMPFYCBBMKTRQE-NXHRZFHOSA-N 2 0 287.451 2.288 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](CCCC[NH2+]C2CC2)C1 ZINC000052371479 520271991 /nfs/dbraw/zinc/27/19/91/520271991.db2.gz CQZMFHMBGOZPIV-OAHLLOKOSA-N 2 0 254.418 2.410 10 0 CEAERP CC1(C)CC[NH+](C[C@H](O)COc2ccc(C[NH3+])cc2)CC1 ZINC000061818706 520379845 /nfs/dbraw/zinc/37/98/45/520379845.db2.gz IICKVWLUYQAALL-HNNXBMFYSA-N 2 0 292.423 2.007 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cnc(C)[nH]1 ZINC000054797981 520631970 /nfs/dbraw/zinc/63/19/70/520631970.db2.gz KBIPDOSRFDGZSA-GFCCVEGCSA-N 2 0 252.406 2.318 10 0 CEAERP CCC[C@@H]([NH3+])[C@@H](CC)N1CC[NH+](C2CCCC2)CC1 ZINC000052061256 520726176 /nfs/dbraw/zinc/72/61/76/520726176.db2.gz BGZFAQYKTSWVNL-HZPDHXFCSA-N 2 0 267.461 2.453 10 0 CEAERP CC[NH+](CC)C[C@H](C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602673 520728610 /nfs/dbraw/zinc/72/86/10/520728610.db2.gz KUXXYZNOFDXQQB-AVOUXACISA-N 2 0 253.434 2.061 10 0 CEAERP CC[N@H+](CCOC(C)C)Cc1ccccc1C[NH3+] ZINC000049259282 521126140 /nfs/dbraw/zinc/12/61/40/521126140.db2.gz JHCFUXGFNKNZCH-UHFFFAOYSA-N 2 0 250.386 2.392 10 0 CEAERP CC[N@H+](CCOC)C1(C[NH3+])CCC(C(C)C)CC1 ZINC000054557115 521136045 /nfs/dbraw/zinc/13/60/45/521136045.db2.gz GSYCQVPRWMOFGY-UHFFFAOYSA-N 2 0 256.434 2.498 10 0 CEAERP CCC[C@]1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000062896832 521298462 /nfs/dbraw/zinc/29/84/62/521298462.db2.gz AVRDMCBJJQROMU-WBVHZDCISA-N 2 0 295.471 2.004 10 0 CEAERP CC[N@H+](Cc1ccccc1)CC1(C[NH3+])CCOCC1 ZINC000052181158 521372161 /nfs/dbraw/zinc/37/21/61/521372161.db2.gz ZCPIZXHZOLNDRX-UHFFFAOYSA-N 2 0 262.397 2.264 10 0 CEAERP CCOC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052484095 521656093 /nfs/dbraw/zinc/65/60/93/521656093.db2.gz NYUACUDFDWOXOH-CVEARBPZSA-N 2 0 298.471 2.423 10 0 CEAERP C[NH+](C)CCNc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000053255569 521790715 /nfs/dbraw/zinc/79/07/15/521790715.db2.gz WKQLETIRCWCOCX-UHFFFAOYSA-N 2 0 261.291 2.138 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1Cc1cc(C[NH2+]C2CC2)co1 ZINC000061654625 521841866 /nfs/dbraw/zinc/84/18/66/521841866.db2.gz TTZLCXGAPRXIQQ-HNNXBMFYSA-N 2 0 277.412 2.058 10 0 CEAERP C[NH+](C)Cc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050943251 521933982 /nfs/dbraw/zinc/93/39/82/521933982.db2.gz NCXJPHXTDGJLER-UHFFFAOYSA-N 2 0 289.423 2.467 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517756 522058323 /nfs/dbraw/zinc/05/83/23/522058323.db2.gz DNCVMDNBJBTHCN-HRCADAONSA-N 2 0 266.429 2.408 10 0 CEAERP C[NH2+]Cc1ccc(CN(CC[NH+](C)C)CC(C)C)o1 ZINC000052503316 522117856 /nfs/dbraw/zinc/11/78/56/522117856.db2.gz OFUDNDCCVFFGQB-UHFFFAOYSA-N 2 0 267.417 2.019 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@](C)(CC)C[NH2+]C)CC1 ZINC000055071829 522123876 /nfs/dbraw/zinc/12/38/76/522123876.db2.gz JQEBBDYRKQWXAV-HUUCEWRRSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074748 522124457 /nfs/dbraw/zinc/12/44/57/522124457.db2.gz QSEFDWGEVFLTDC-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccs2)CC1 ZINC000055063844 522130466 /nfs/dbraw/zinc/13/04/66/522130466.db2.gz WPEGHSZIVUIXQY-CHWSQXEVSA-N 2 0 267.442 2.164 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065267 522132591 /nfs/dbraw/zinc/13/25/91/522132591.db2.gz WNXKOJJANRFCSA-OLMNPRSZSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979538 522377010 /nfs/dbraw/zinc/37/70/10/522377010.db2.gz DWPZQPGCJSQQBI-GVDBMIGSSA-N 2 0 279.472 2.467 10 0 CEAERP CN(C1CC[NH+](C)CC1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000052684827 522414786 /nfs/dbraw/zinc/41/47/86/522414786.db2.gz BDFRGOAAHYFSJJ-GJZGRUSLSA-N 2 0 253.434 2.063 10 0 CEAERP C[NH2+][C@H](C)c1cnc(N2CC[NH+](CC(C)C)CC2)s1 ZINC000055076362 522454737 /nfs/dbraw/zinc/45/47/37/522454737.db2.gz HORLLSIXTVKUEQ-GFCCVEGCSA-N 2 0 282.457 2.202 10 0 CEAERP C[NH2+][C@H]1CCCC[C@@H]1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063122037 522490525 /nfs/dbraw/zinc/49/05/25/522490525.db2.gz XBRGPOCNDHNBSS-CVEARBPZSA-N 3 0 267.461 2.038 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977604 522648553 /nfs/dbraw/zinc/64/85/53/522648553.db2.gz QCNYZLVRULDBQQ-GVDBMIGSSA-N 2 0 288.439 2.030 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642246 522649473 /nfs/dbraw/zinc/64/94/73/522649473.db2.gz DMXDTUPIVQHWNL-FMKPAKJESA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087181 523164433 /nfs/dbraw/zinc/16/44/33/523164433.db2.gz GWNUMXAELPDOJN-HOTGVXAUSA-N 2 0 274.408 2.454 10 0 CEAERP CC[C@@H]1CCCC[N@@H+]1CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052447626 523174768 /nfs/dbraw/zinc/17/47/68/523174768.db2.gz YRTZUAVNYNEIHT-OAHLLOKOSA-N 2 0 279.432 2.041 10 0 CEAERP C[N@@H+](Cc1occc1C[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000052540874 523617297 /nfs/dbraw/zinc/61/72/97/523617297.db2.gz VMBGASIFETVIRT-CQSZACIVSA-N 2 0 264.369 2.142 10 0 CEAERP COCC[N@H+](Cc1cc(C[NH3+])c(C)o1)[C@@H](C)C1CC1 ZINC000052545353 523739504 /nfs/dbraw/zinc/73/95/04/523739504.db2.gz XIYIYGISLCFQKF-NSHDSACASA-N 2 0 266.385 2.294 10 0 CEAERP COCC[N@@H+](Cc1cc(C[NH2+]C(C)C)no1)CC(C)C ZINC000052508561 523740546 /nfs/dbraw/zinc/74/05/46/523740546.db2.gz MVMFCIOSESPHGQ-UHFFFAOYSA-N 2 0 283.416 2.277 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@](C)([NH3+])c2ccccc2)CC1 ZINC000055083599 523955799 /nfs/dbraw/zinc/95/57/99/523955799.db2.gz FZPKVPVLUCKWHC-RDJZCZTQSA-N 2 0 275.440 2.277 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000055063351 523960868 /nfs/dbraw/zinc/96/08/68/523960868.db2.gz LOIJIVDQKPAZKJ-AWEZNQCLSA-N 2 0 261.413 2.374 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2nc(C)c([C@H](C)[NH3+])s2)CC1 ZINC000055076292 523962186 /nfs/dbraw/zinc/96/21/86/523962186.db2.gz MBDSPEZIRRLFMA-QWRGUYRKSA-N 2 0 282.457 2.392 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1cccc2cccnc21 ZINC000069502836 524053300 /nfs/dbraw/zinc/05/33/00/524053300.db2.gz RSUYFMCGFDSKLP-INIZCTEOSA-N 2 0 286.423 2.118 10 0 CEAERP C[C@@H]1CCC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]1[NH3+] ZINC000055125539 524268024 /nfs/dbraw/zinc/26/80/24/524268024.db2.gz JEGDVSPHMBXHHZ-QKPAOTATSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087186 524291215 /nfs/dbraw/zinc/29/12/15/524291215.db2.gz YWSQDKIISWPNOF-ZFWWWQNUSA-N 2 0 260.381 2.064 10 0 CEAERP C[C@H]1CC[C@@H](C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1[NH3+] ZINC000055125528 524333508 /nfs/dbraw/zinc/33/35/08/524333508.db2.gz QZMRSUKXUBXGFQ-JONQDZQNSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCCN(C)CC1 ZINC000052424314 524456412 /nfs/dbraw/zinc/45/64/12/524456412.db2.gz KRYUMYJUTCMONT-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@H](C[NH2+]C1CC1)CN1CCC([NH+]2CCCCC2)CC1 ZINC000052484195 524478751 /nfs/dbraw/zinc/47/87/51/524478751.db2.gz GUPFYMUBGHZNAH-OAHLLOKOSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H](CN1[C@@H]2CCC[C@H]1CC([NH3+])C2)[NH+]1CCCCC1 ZINC000054602779 524636371 /nfs/dbraw/zinc/63/63/71/524636371.db2.gz SWKIIIRNMWADJC-HNSVSWJLSA-N 2 0 265.445 2.205 10 0 CEAERP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000051087220 524696584 /nfs/dbraw/zinc/69/65/84/524696584.db2.gz XYPVQOAPDNITGI-DZKIICNBSA-N 2 0 274.408 2.168 10 0 CEAERP C[C@@H](C[NH2+]C1CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000052484166 524736471 /nfs/dbraw/zinc/73/64/71/524736471.db2.gz CRJPXULDYQPNGE-AWEZNQCLSA-N 2 0 265.445 2.077 10 0 CEAERP Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061641997 524885966 /nfs/dbraw/zinc/88/59/66/524885966.db2.gz XEENQGKKNUUWOB-UAGQMJEPSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H]1CN(C2(C[NH3+])CCC(C(F)(F)F)CC2)CC[N@@H+]1C ZINC000069374996 524919441 /nfs/dbraw/zinc/91/94/41/524919441.db2.gz QDCSBYMINHKXJV-PNESKVBLSA-N 2 0 293.377 2.072 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000050578627 525007358 /nfs/dbraw/zinc/00/73/58/525007358.db2.gz JVPOHRMVHSLUTL-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1cc(F)ccc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000050578162 525008507 /nfs/dbraw/zinc/00/85/07/525008507.db2.gz YMMDQKJSXXJZKA-INIZCTEOSA-N 2 0 279.403 2.160 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000062964736 526076229 /nfs/dbraw/zinc/07/62/29/526076229.db2.gz BQZFTDRSQZECOE-HIFRSBDPSA-N 2 0 279.453 2.044 10 0 CEAERP [NH3+]Cc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061702263 527250858 /nfs/dbraw/zinc/25/08/58/527250858.db2.gz OPUCGSSADPTLMS-QGZVFWFLSA-N 2 0 283.375 2.194 10 0 CEAERP [NH3+]Cc1ccc([C@H](O)C[NH+]2Cc3ccccc3C2)cc1 ZINC000050910519 527257486 /nfs/dbraw/zinc/25/74/86/527257486.db2.gz RHOIKLWNIRZFEW-QGZVFWFLSA-N 2 0 268.360 2.195 10 0 CEAERP [NH3+]Cc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000061656601 527266078 /nfs/dbraw/zinc/26/60/78/527266078.db2.gz IBJRCDIMFDTGOZ-MRXNPFEDSA-N 2 0 268.364 2.272 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251215310 625087949 /nfs/dbraw/zinc/08/79/49/625087949.db2.gz NGRWTRQMYXQXEW-LVQVYYBASA-N 2 0 268.445 2.438 10 0 CEAERP Cc1cc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000309832748 627956357 /nfs/dbraw/zinc/95/63/57/627956357.db2.gz SRQQGUPDOZEKJS-ZDUSSCGKSA-N 2 0 285.395 2.300 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c1Cl ZINC000261561969 628938373 /nfs/dbraw/zinc/93/83/73/628938373.db2.gz VUZOMFUFFWUNAX-ONGXEEELSA-N 2 0 253.777 2.465 10 0 CEAERP CC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000173913264 639885080 /nfs/dbraw/zinc/88/50/80/639885080.db2.gz NWQIYEZJUFNBKU-WBVHZDCISA-N 2 0 276.424 2.168 10 0 CEAERP CC(C)(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000324439899 640577840 /nfs/dbraw/zinc/57/78/40/640577840.db2.gz VKRWXGPEXLJZIO-HUUCEWRRSA-N 2 0 268.445 2.248 10 0 CEAERP Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000129170199 651857859 /nfs/dbraw/zinc/85/78/59/651857859.db2.gz AGOPKOXJQWRZMM-HUUCEWRRSA-N 2 0 262.397 2.494 10 0 CEAERP C[NH+](C)CCN1CCC[C@@]12CCC[N@H+](Cc1ccoc1)C2 ZINC000096071418 185087100 /nfs/dbraw/zinc/08/71/00/185087100.db2.gz PDTZKFSIBWLBRO-QGZVFWFLSA-N 2 0 291.439 2.272 10 0 CEAERP Cn1cc(CC[NH+]2CCC([NH3+])CC2)c2ccccc21 ZINC000031573693 343409375 /nfs/dbraw/zinc/40/93/75/343409375.db2.gz PZYZQAHSVDUKSA-UHFFFAOYSA-N 2 0 257.381 2.144 10 0 CEAERP C[N@H+](CCC[NH2+][C@@H]1CCCC[C@H]1O)Cc1ccccc1 ZINC000226224880 344548443 /nfs/dbraw/zinc/54/84/43/344548443.db2.gz YTMOTYIEYPORQJ-IAGOWNOFSA-N 2 0 276.424 2.402 10 0 CEAERP C[C@](O)(C[NH3+])CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300359 179010639 /nfs/dbraw/zinc/01/06/39/179010639.db2.gz MVQCYOUCIQTUDT-ARFHVFGLSA-N 2 0 268.445 2.379 10 0 CEAERP C[C@@H](C[C@@](C)(O)C[NH3+])[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000085300948 179010217 /nfs/dbraw/zinc/01/02/17/179010217.db2.gz DJNFVFPUQHEXLC-NWANDNLSSA-N 2 0 254.418 2.129 10 0 CEAERP C[C@@](O)(C[NH3+])CCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000085300361 179010224 /nfs/dbraw/zinc/01/02/24/179010224.db2.gz MVQCYOUCIQTUDT-XHSDSOJGSA-N 2 0 268.445 2.379 10 0 CEAERP OCCCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403707 179052893 /nfs/dbraw/zinc/05/28/93/179052893.db2.gz PCQXOXHPSSVXHY-HNNXBMFYSA-N 2 0 254.418 2.003 10 0 CEAERP C1CC([C@@H]2CCCCC[N@@H+]2C2CCOCC2)CC[NH2+]1 ZINC000085403691 179053009 /nfs/dbraw/zinc/05/30/09/179053009.db2.gz YOVWCWYNWUVFIG-INIZCTEOSA-N 2 0 266.429 2.410 10 0 CEAERP COC[C@@H](C)[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403830 179053306 /nfs/dbraw/zinc/05/33/06/179053306.db2.gz OUBMEMVRTJSHGV-UKRRQHHQSA-N 2 0 254.418 2.266 10 0 CEAERP CCc1nc2c(n1CCC[N@@H+]1CCCC[C@H]1C)CC[NH2+]C2 ZINC000085568457 179094841 /nfs/dbraw/zinc/09/48/41/179094841.db2.gz LCRMENUIWBQGBR-CQSZACIVSA-N 2 0 290.455 2.356 10 0 CEAERP Cc1nccn1CC[N@H+]1C[C@H](C(C)(C)C)[NH2+]CC[C@@H]1C ZINC000085624306 179106624 /nfs/dbraw/zinc/10/66/24/179106624.db2.gz IHRMUHFNVMZVJQ-DZGCQCFKSA-N 2 0 278.444 2.290 10 0 CEAERP CCCc1nc2c(n1[C@@H]1CCC[N@H+](CC)C1)CC[NH2+]C2 ZINC000085572802 179098668 /nfs/dbraw/zinc/09/86/68/179098668.db2.gz UUUXNKUEUXFZRC-CYBMUJFWSA-N 2 0 276.428 2.138 10 0 CEAERP CC[N@H+](C)CCn1c2c(nc1-c1ccccc1)C[NH2+]CC2 ZINC000085606592 179100331 /nfs/dbraw/zinc/10/03/31/179100331.db2.gz RSROGGQEYJERNZ-UHFFFAOYSA-N 2 0 284.407 2.148 10 0 CEAERP CCC[C@H]1C[N@H+](CCCOCC(F)(F)F)CCC[NH2+]1 ZINC000085612234 179103389 /nfs/dbraw/zinc/10/33/89/179103389.db2.gz MGRLPYHPYMDQJZ-LBPRGKRZSA-N 2 0 282.350 2.419 10 0 CEAERP CC(C)C[C@@H]1C[N@H+](C[C@@H]2CCCO2)[C@@H](C)CC[NH2+]1 ZINC000085621904 179105152 /nfs/dbraw/zinc/10/51/52/179105152.db2.gz MIBMVEGIBPWOKB-ZNMIVQPWSA-N 2 0 254.418 2.264 10 0 CEAERP CCC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000085682264 179113936 /nfs/dbraw/zinc/11/39/36/179113936.db2.gz BLMJHOWIYAYPQU-CYBMUJFWSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)[N@H+](C)CCCCN1CC[NH2+]C2(CCCC2)C1 ZINC000086146721 179238405 /nfs/dbraw/zinc/23/84/05/179238405.db2.gz NFWRONUNMWQRFO-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086153958 179241163 /nfs/dbraw/zinc/24/11/63/179241163.db2.gz WBIJVSRNDJOKFP-OIISXLGYSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086171853 179243625 /nfs/dbraw/zinc/24/36/25/179243625.db2.gz JQFLXVCVTCLRTR-VQHPVUNQSA-N 2 0 281.488 2.283 10 0 CEAERP CC(C)[C@@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086172119 179244430 /nfs/dbraw/zinc/24/44/30/179244430.db2.gz BPWNBHVDIQHWJK-PMPSAXMXSA-N 2 0 267.461 2.035 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217872 179249705 /nfs/dbraw/zinc/24/97/05/179249705.db2.gz CQURXLGUNUHIAV-CABCVRRESA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[C@H]1C[NH2+]C2(CCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217880 179249754 /nfs/dbraw/zinc/24/97/54/179249754.db2.gz FCHRUIAEPMXCOW-MRXNPFEDSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217807 179250086 /nfs/dbraw/zinc/25/00/86/179250086.db2.gz FIRBVJXROBTDMH-HIFRSBDPSA-N 2 0 267.461 2.179 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](C(C)C)C[NH2+]1 ZINC000086223167 179251568 /nfs/dbraw/zinc/25/15/68/179251568.db2.gz CQBDGRSKPSVKBM-HZPDHXFCSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCC(N2C[C@@](C)(CC)[NH2+]C[C@@H]2C)CC1 ZINC000086227330 179254120 /nfs/dbraw/zinc/25/41/20/179254120.db2.gz RFTGNVLDCUMIBI-GOEBONIOSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](C(C)C)C[NH2+]1 ZINC000086182752 179247738 /nfs/dbraw/zinc/24/77/38/179247738.db2.gz KCSFAWFDOWGAGL-IXDOHACOSA-N 2 0 279.472 2.179 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@](C)(C2CC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182509 179247796 /nfs/dbraw/zinc/24/77/96/179247796.db2.gz JGXJSVUJPBGYMN-KSZLIROESA-N 2 0 291.483 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259218 179257944 /nfs/dbraw/zinc/25/79/44/179257944.db2.gz MYPFLPHGAWYLNW-PMPSAXMXSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259263 179258100 /nfs/dbraw/zinc/25/81/00/179258100.db2.gz NMODZGHGFFQCMW-RBSFLKMASA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259323 179258444 /nfs/dbraw/zinc/25/84/44/179258444.db2.gz QRDHGLOZGBZUOS-BBWFWOEESA-N 2 0 279.472 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259199 179258812 /nfs/dbraw/zinc/25/88/12/179258812.db2.gz MSFHGSRIGSZLDM-JFIYKMOQSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261039 179259740 /nfs/dbraw/zinc/25/97/40/179259740.db2.gz XRHTTZFGBSNZSM-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258981 179256722 /nfs/dbraw/zinc/25/67/22/179256722.db2.gz OCCCFKPOWXVNRM-IAGOWNOFSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H]1CNC2(CCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259074 179257008 /nfs/dbraw/zinc/25/70/08/179257008.db2.gz HWCQCKFIQOJVHY-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]1CNC2(CCCCC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259025 179257231 /nfs/dbraw/zinc/25/72/31/179257231.db2.gz FVWWWXMTTKHTNE-OAHLLOKOSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259191 179257602 /nfs/dbraw/zinc/25/76/02/179257602.db2.gz NKYCTNHGZRJLMF-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259243 179257646 /nfs/dbraw/zinc/25/76/46/179257646.db2.gz ZCCCPRRITZEIML-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CC[NH+](C)C)N1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000086290505 179265846 /nfs/dbraw/zinc/26/58/46/179265846.db2.gz WJZFQPZUKIWDJP-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCCN[C@@H](CC(C)C)C2)CC1 ZINC000086291494 179265993 /nfs/dbraw/zinc/26/59/93/179265993.db2.gz GYOIIMWWNGSTKD-KRWDZBQOSA-N 2 0 281.488 2.428 10 0 CEAERP c1ccc([C@H]2CN([C@@H]3CC[N@@H+](C4CC4)C3)CCC[NH2+]2)cc1 ZINC000086291985 179266581 /nfs/dbraw/zinc/26/65/81/179266581.db2.gz UEMNFOYMAIZEIA-QZTJIDSGSA-N 2 0 285.435 2.260 10 0 CEAERP CCC1(CC)CN(C[C@@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000086291637 179266722 /nfs/dbraw/zinc/26/67/22/179266722.db2.gz JJFKASIPXBEFNH-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CN(CC1CC[NH+](C)CC1)c1nc2c(s1)CCC[C@H]2[NH3+] ZINC000086444111 179293675 /nfs/dbraw/zinc/29/36/75/179293675.db2.gz RJRDEZXHIJHHAL-GFCCVEGCSA-N 2 0 294.468 2.257 10 0 CEAERP C[C@H]1C[NH+]=C(NCC[N@H+](C)C2CCCC2)SC1 ZINC000086633538 179315004 /nfs/dbraw/zinc/31/50/04/179315004.db2.gz JTYYAEWLEBXZEP-NSHDSACASA-N 2 0 255.431 2.189 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@@H](COC)C(C)C)CC1 ZINC000086696261 179321061 /nfs/dbraw/zinc/32/10/61/179321061.db2.gz GHVSVNGJBDYOKY-ZFWWWQNUSA-N 2 0 256.434 2.367 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CC[C@H](c3ccccc3)C2)CC1 ZINC000086819541 179348601 /nfs/dbraw/zinc/34/86/01/179348601.db2.gz IKUSGCBUIXYVEE-ROUUACIJSA-N 2 0 287.451 2.289 10 0 CEAERP CCN(C1CCCCC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819223 179348767 /nfs/dbraw/zinc/34/87/67/179348767.db2.gz QZUIBFNAMBTOCK-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CCN(c1ccccc1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819230 179348831 /nfs/dbraw/zinc/34/88/31/179348831.db2.gz BAACUYMLPNRWEJ-MRXNPFEDSA-N 2 0 261.413 2.326 10 0 CEAERP C[NH+](C)[C@@H](CN[C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC000086817199 179344348 /nfs/dbraw/zinc/34/43/48/179344348.db2.gz RWQZACIQPPRCGH-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]CCCOCc2ccco2)CC1 ZINC000086817378 179344903 /nfs/dbraw/zinc/34/49/03/179344903.db2.gz HLTMMFVNJIREHJ-CQSZACIVSA-N 2 0 266.385 2.260 10 0 CEAERP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818560 179346568 /nfs/dbraw/zinc/34/65/68/179346568.db2.gz JMAAWMPIOYBSJO-TZMCWYRMSA-N 2 0 290.411 2.312 10 0 CEAERP CC[NH+](CC)CCn1cc(N[C@H]2CCC[N@H+](C)CC2)cn1 ZINC000086818788 179346758 /nfs/dbraw/zinc/34/67/58/179346758.db2.gz CYSZEBWWJFYZDC-HNNXBMFYSA-N 2 0 293.459 2.121 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847727 179356360 /nfs/dbraw/zinc/35/63/60/179356360.db2.gz QRKRPUPEQPXNHD-DLBZAZTESA-N 2 0 297.487 2.079 10 0 CEAERP CCC(CC)N(C)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086847162 179356557 /nfs/dbraw/zinc/35/65/57/179356557.db2.gz YXBDEXIQFBNYDQ-OAHLLOKOSA-N 2 0 255.450 2.310 10 0 CEAERP COCCN(CC(C)C)[C@@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086848011 179356605 /nfs/dbraw/zinc/35/66/05/179356605.db2.gz XEEZIWQOUOZEOD-KRWDZBQOSA-N 2 0 299.503 2.183 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccncc2)CC1 ZINC000086847108 179357037 /nfs/dbraw/zinc/35/70/37/179357037.db2.gz PMZNLMZDABTTIA-KRWDZBQOSA-N 2 0 290.455 2.105 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccnc2)CC1 ZINC000086847100 179357160 /nfs/dbraw/zinc/35/71/60/179357160.db2.gz RXNNTHMVURJNLI-QGZVFWFLSA-N 2 0 290.455 2.107 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086834999 179350516 /nfs/dbraw/zinc/35/05/16/179350516.db2.gz SIWJSHRDDJTLKF-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@H](NC2CC[NH+](C3CC3)CC2)CC1 ZINC000086840338 179350961 /nfs/dbraw/zinc/35/09/61/179350961.db2.gz ALUVRJWYGOIVOA-AWEZNQCLSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](NCC[NH+]2CCCCC2)CC1 ZINC000086843114 179352596 /nfs/dbraw/zinc/35/25/96/179352596.db2.gz PKUJEYMVBLZYFC-MRXNPFEDSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)CC1 ZINC000086841996 179352836 /nfs/dbraw/zinc/35/28/36/179352836.db2.gz LPKNVCQPTPFKME-LSDHHAIUSA-N 2 0 283.460 2.145 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000086842244 179352987 /nfs/dbraw/zinc/35/29/87/179352987.db2.gz LLPVZYFVFQGPIW-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843162 179353429 /nfs/dbraw/zinc/35/34/29/179353429.db2.gz ZUMYDPFNQZNYTG-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000086843152 179353751 /nfs/dbraw/zinc/35/37/51/179353751.db2.gz LAKNNHQLJURXJV-CABCVRRESA-N 2 0 254.418 2.408 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000086846415 179354474 /nfs/dbraw/zinc/35/44/74/179354474.db2.gz ZDPMJPLOPLDYEV-XHSDSOJGSA-N 2 0 267.461 2.168 10 0 CEAERP CC1(C)CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086920922 179367643 /nfs/dbraw/zinc/36/76/43/179367643.db2.gz XIZXDQBGOIYTNV-OAHLLOKOSA-N 2 0 254.418 2.003 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH2+]CC(O)(CC)CC)CC1 ZINC000087014625 179379757 /nfs/dbraw/zinc/37/97/57/179379757.db2.gz UDYIIKRDMYXEHF-AWEZNQCLSA-N 2 0 256.434 2.392 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087049539 179388920 /nfs/dbraw/zinc/38/89/20/179388920.db2.gz XWCDJLUIYAISSX-HIFRSBDPSA-N 2 0 254.418 2.002 10 0 CEAERP C[C@H]([NH3+])CCC[C@H](C)C[NH2+]CCc1cscn1 ZINC000087706300 179474302 /nfs/dbraw/zinc/47/43/02/179474302.db2.gz VZZGBPFTBJWLFY-RYUDHWBXSA-N 2 0 255.431 2.429 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000104190389 185921292 /nfs/dbraw/zinc/92/12/92/185921292.db2.gz QSMHZQRBQAUQFI-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[NH2+]CC1CC[NH+]([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000088764561 179669747 /nfs/dbraw/zinc/66/97/47/179669747.db2.gz DYXAVKDTJHLRIF-CVEARBPZSA-N 2 0 268.445 2.390 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400712263 233180990 /nfs/dbraw/zinc/18/09/90/233180990.db2.gz MNZKQZSDVBLIJI-SCRDCRAPSA-N 2 0 278.396 2.352 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000089402254 179781815 /nfs/dbraw/zinc/78/18/15/179781815.db2.gz ULNNNFPLTFFPQL-HZPDHXFCSA-N 3 0 267.461 2.025 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cc(F)ccc1F ZINC000234695728 539731970 /nfs/dbraw/zinc/73/19/70/539731970.db2.gz VAVKMPIYUWDHBZ-PWSUYJOCSA-N 2 0 272.339 2.369 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CCC)CC1CC1 ZINC000090566416 180005312 /nfs/dbraw/zinc/00/53/12/180005312.db2.gz FWYXDGBFEBFZIN-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](CC)C1CCCC1 ZINC000090566150 180005401 /nfs/dbraw/zinc/00/54/01/180005401.db2.gz KIWBCBZZCJCCLS-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CCC(C)(C)NC(=O)[C@@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693339 180025314 /nfs/dbraw/zinc/02/53/14/180025314.db2.gz XVRZGFFRQWNDRO-KGLIPLIRSA-N 2 0 283.460 2.144 10 0 CEAERP C[C@@H](C[NH2+]C[C@H]1Cc2ccccc2O1)C[NH+]1CCCC1 ZINC000090874614 180050698 /nfs/dbraw/zinc/05/06/98/180050698.db2.gz NDTXTHLKLFKBRM-GOEBONIOSA-N 2 0 274.408 2.312 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090892205 180054022 /nfs/dbraw/zinc/05/40/22/180054022.db2.gz KHJIPPRGLKNJDD-DOMZBBRYSA-N 2 0 278.371 2.061 10 0 CEAERP CC(C)[N@H+](CCC(N)=[NH2+])C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893378 180055052 /nfs/dbraw/zinc/05/50/52/180055052.db2.gz GWORZWYRMAZZPO-ZDUSSCGKSA-N 2 0 279.359 2.166 10 0 CEAERP CC[NH2+]Cc1cn(CC[NH+]2CCCC2)c2ncccc12 ZINC000091019901 180088334 /nfs/dbraw/zinc/08/83/34/180088334.db2.gz BNSILHUQEVPCET-UHFFFAOYSA-N 2 0 272.396 2.242 10 0 CEAERP CC(C)n1cncc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000091273043 180117894 /nfs/dbraw/zinc/11/78/94/180117894.db2.gz FCMNDUCCUDFRHU-CYBMUJFWSA-N 2 0 250.390 2.025 10 0 CEAERP CC(C)n1cncc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000091273062 180118054 /nfs/dbraw/zinc/11/80/54/180118054.db2.gz HZQPNUMUJAHUKZ-UHFFFAOYSA-N 2 0 250.390 2.025 10 0 CEAERP CC[N@H+](Cc1cncn1C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091277111 180120317 /nfs/dbraw/zinc/12/03/17/180120317.db2.gz DRSCDRUMJRCEHX-IUODEOHRSA-N 2 0 262.401 2.167 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091430270 180152841 /nfs/dbraw/zinc/15/28/41/180152841.db2.gz OBNDZVZXMCBFNT-KRWDZBQOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091429006 180153019 /nfs/dbraw/zinc/15/30/19/180153019.db2.gz USELTOYYHLXYMM-VVLHAWIVSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+]Cc1sc(N2CCC[C@H]([NH+](C)C)C2)nc1C ZINC000091429161 180153112 /nfs/dbraw/zinc/15/31/12/180153112.db2.gz NSESLMDCVWIUCQ-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091430335 180153232 /nfs/dbraw/zinc/15/32/32/180153232.db2.gz IDBRWKVQLWLVEC-LBPRGKRZSA-N 2 0 282.457 2.172 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091432583 180153392 /nfs/dbraw/zinc/15/33/92/180153392.db2.gz MWYBBIYJKWVVCG-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091431446 180153809 /nfs/dbraw/zinc/15/38/09/180153809.db2.gz MIHKHZOYPUMDEP-ZNMIVQPWSA-N 2 0 255.450 2.179 10 0 CEAERP CC1CCC(C[NH3+])(CN2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000091433185 180153865 /nfs/dbraw/zinc/15/38/65/180153865.db2.gz SLIWDRDHPTUAJQ-PCKAHOCUSA-N 2 0 267.461 2.168 10 0 CEAERP CCC(CC)[NH2+]C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091449276 180157631 /nfs/dbraw/zinc/15/76/31/180157631.db2.gz GMLKEMJNJVCENJ-HIFRSBDPSA-N 2 0 255.450 2.179 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391717 180144614 /nfs/dbraw/zinc/14/46/14/180144614.db2.gz CLIRMTGKNHJEPG-GJZGRUSLSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000091393929 180145771 /nfs/dbraw/zinc/14/57/71/180145771.db2.gz RLBCSGQEGHZGFT-IRXDYDNUSA-N 2 0 275.440 2.363 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1C ZINC000091394975 180146006 /nfs/dbraw/zinc/14/60/06/180146006.db2.gz JHKPYIZVZHIIQA-DLBZAZTESA-N 2 0 275.440 2.329 10 0 CEAERP CCCC(C[NH3+])(CCC)N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394666 180146580 /nfs/dbraw/zinc/14/65/80/180146580.db2.gz UBGBHIWWSUFYEQ-CQSZACIVSA-N 2 0 255.450 2.310 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)C[N@@H+]1CCCC[C@@H]1CO ZINC000091404113 180146889 /nfs/dbraw/zinc/14/68/89/180146889.db2.gz ILSHPMVDBJAWGD-UONOGXRCSA-N 2 0 256.434 2.248 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN(C)C1CC[NH+](CC)CC1 ZINC000091403870 180147324 /nfs/dbraw/zinc/14/73/24/180147324.db2.gz ZNFXQCLADOLXIO-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000091405039 180147338 /nfs/dbraw/zinc/14/73/38/180147338.db2.gz JIEZBRPFJHGLQZ-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CC[C@@](C)(C(=O)Cc1c[nH+]ccc1N)[NH+]1CCCCC1 ZINC000091608141 180203894 /nfs/dbraw/zinc/20/38/94/180203894.db2.gz XIOXZHGLOPPIKT-INIZCTEOSA-N 2 0 275.396 2.430 10 0 CEAERP C[NH2+][C@@H](C1CCOCC1)C1([NH+]2CCCC2)CCCC1 ZINC000091640840 180213339 /nfs/dbraw/zinc/21/33/39/180213339.db2.gz STWVDPKVWGBOBO-HNNXBMFYSA-N 2 0 266.429 2.410 10 0 CEAERP C[NH2+][C@H]([C@@H]1CCOC1)C1([NH+](C)C)CCCCCC1 ZINC000091654398 180217383 /nfs/dbraw/zinc/21/73/83/180217383.db2.gz AKMYEFSVQUHBLD-ZIAGYGMSSA-N 2 0 254.418 2.266 10 0 CEAERP CCc1cc(C[C@@H](CC[NH+](CC)CC)[NH2+]C)n(CC)n1 ZINC000091716190 180232577 /nfs/dbraw/zinc/23/25/77/180232577.db2.gz DKOQHXNCQUOZLD-OAHLLOKOSA-N 2 0 280.460 2.328 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)C1CCN(C(C)C)CC1 ZINC000091849869 180272531 /nfs/dbraw/zinc/27/25/31/180272531.db2.gz CIGRDBTVUDBTNY-UHFFFAOYSA-N 2 0 267.461 2.451 10 0 CEAERP C[N@H+]([C@H]1CCN(Cc2ccccc2)C1)C1CCC([NH3+])CC1 ZINC000091844304 180268693 /nfs/dbraw/zinc/26/86/93/180268693.db2.gz DVOHYTFZTDTWML-ABHNRTSZSA-N 2 0 287.451 2.463 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)CC(=O)NC(C)(C)C)CC1 ZINC000091870105 180277030 /nfs/dbraw/zinc/27/70/30/180277030.db2.gz GPGWHALNWOPRID-UHFFFAOYSA-N 2 0 283.460 2.144 10 0 CEAERP CC[N@@H+]1CCC[C@@](O)(C2(C[NH3+])CCCCC2)CC1 ZINC000091922505 180286809 /nfs/dbraw/zinc/28/68/09/180286809.db2.gz CVYCMQIXDBBCGY-HNNXBMFYSA-N 2 0 254.418 2.133 10 0 CEAERP CC[N@H+](Cc1nc(C)ccc1O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000091996215 180301962 /nfs/dbraw/zinc/30/19/62/180301962.db2.gz MQCUDIQTVGMYLJ-TZMCWYRMSA-N 2 0 263.385 2.045 10 0 CEAERP [NH3+]CCC[C@H]1CCC[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092306496 180360145 /nfs/dbraw/zinc/36/01/45/180360145.db2.gz QIIBPRQYRLLWKD-KGLIPLIRSA-N 2 0 260.381 2.366 10 0 CEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)CCSc1ccccc1 ZINC000092262344 180355047 /nfs/dbraw/zinc/35/50/47/180355047.db2.gz KYNRXRPUNWBHDH-NSHDSACASA-N 2 0 251.399 2.425 10 0 CEAERP Cc1noc(C)c1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000092328161 180362827 /nfs/dbraw/zinc/36/28/27/180362827.db2.gz IYHFNOLLEAKSNK-BIMULSAOSA-N 2 0 251.374 2.460 10 0 CEAERP Cc1noc(C)c1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000092328157 180363156 /nfs/dbraw/zinc/36/31/56/180363156.db2.gz IYHFNOLLEAKSNK-ZWKOPEQDSA-N 2 0 251.374 2.460 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@@H]2CCC[N@H+](C)C2)=[NH+]1 ZINC000092402484 180377311 /nfs/dbraw/zinc/37/73/11/180377311.db2.gz AVVDTRUZKDHMHC-NWDGAFQWSA-N 2 0 255.431 2.045 10 0 CEAERP CCCNc1cc[nH+]c(CN2CCC([NH+](C)C)CC2)c1 ZINC000092418174 180380770 /nfs/dbraw/zinc/38/07/70/180380770.db2.gz DUUZSACFHDAJRJ-UHFFFAOYSA-N 2 0 276.428 2.430 10 0 CEAERP CCNc1cc[nH+]c(CN(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092418997 180382269 /nfs/dbraw/zinc/38/22/69/180382269.db2.gz IJUFTNFIMCLXPC-OAHLLOKOSA-N 2 0 262.401 2.039 10 0 CEAERP CC[NH+](CC)CCc1noc(C[C@H]([NH2+]C)C(C)(C)C)n1 ZINC000109496164 186256585 /nfs/dbraw/zinc/25/65/85/186256585.db2.gz RPOQWAAOXOIYCU-LBPRGKRZSA-N 2 0 282.432 2.131 10 0 CEAERP COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000109604103 186267919 /nfs/dbraw/zinc/26/79/19/186267919.db2.gz JWYOHMLIAVYHMZ-OAHLLOKOSA-N 2 0 276.380 2.063 10 0 CEAERP CCC[C@@H](C)C[NH+]1CCN([C@H](C[NH3+])CCC)CC1 ZINC000109461713 186254425 /nfs/dbraw/zinc/25/44/25/186254425.db2.gz MDRULEOIQKWAQW-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CCCc1nc(N2CC[C@H]([NH+](C)C)C2)sc1C[NH2+]CC ZINC000110275244 186289483 /nfs/dbraw/zinc/28/94/83/186289483.db2.gz MPZFUBVAARFKDP-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CC[C@@H]1CN(C(=O)Nc2cccc([C@@H](C)[NH3+])c2)CC[N@@H+]1C ZINC000110694762 186313258 /nfs/dbraw/zinc/31/32/58/186313258.db2.gz YTPSZGAQNURWOZ-IUODEOHRSA-N 2 0 290.411 2.264 10 0 CEAERP COc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704904 186313887 /nfs/dbraw/zinc/31/38/87/186313887.db2.gz FGDSYJHHIIHNFG-CZUORRHYSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704815 186314711 /nfs/dbraw/zinc/31/47/11/186314711.db2.gz YBNCGJMWYYCVIB-ZBFHGGJFSA-N 2 0 275.440 2.409 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[N@H+](C)[C@@H](CC)C1 ZINC000110704015 186314770 /nfs/dbraw/zinc/31/47/70/186314770.db2.gz BELZTOWJGRZDEF-GZBFAFLISA-N 2 0 265.401 2.084 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110704806 186314876 /nfs/dbraw/zinc/31/48/76/186314876.db2.gz XVDGCGFPXWUZNT-GXTWGEPZSA-N 2 0 265.401 2.002 10 0 CEAERP COc1cccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704901 186315026 /nfs/dbraw/zinc/31/50/26/186315026.db2.gz FGDSYJHHIIHNFG-XJKSGUPXSA-N 2 0 291.439 2.110 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)cc2C)CC[N@@H+]1C ZINC000110711274 186315621 /nfs/dbraw/zinc/31/56/21/186315621.db2.gz GQQVCANMMKCYAG-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP CC(C)Oc1ccc([C@@H]([NH3+])CN2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000110712539 186315958 /nfs/dbraw/zinc/31/59/58/186315958.db2.gz QZRAVXGXEBDFKV-YOEHRIQHSA-N 2 0 291.439 2.110 10 0 CEAERP CCOc1ccccc1[C@H]([NH3+])CN1CC[N@H+](C)C(C)(C)C1 ZINC000110716445 186316521 /nfs/dbraw/zinc/31/65/21/186316521.db2.gz REMGBJPFRISDOZ-OAHLLOKOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(SC)cc2)C[C@@H]1C ZINC000110709578 186316653 /nfs/dbraw/zinc/31/66/53/186316653.db2.gz QLEMYPIUSOTJQX-BBRMVZONSA-N 2 0 293.480 2.434 10 0 CEAERP CCOc1ccccc1[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110712175 186316656 /nfs/dbraw/zinc/31/66/56/186316656.db2.gz DINTYFNMNTXXKE-OAHLLOKOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H]1CN([C@@H](C)CC[NH2+]C(C)(C)C)CC[N@@H+]1C ZINC000110754365 186321953 /nfs/dbraw/zinc/32/19/53/186321953.db2.gz QLMYOEIKACBRPR-KBPBESRZSA-N 2 0 255.450 2.179 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)C[C@@H]1C ZINC000110760114 186323443 /nfs/dbraw/zinc/32/34/43/186323443.db2.gz OCYVQUMZKKAAFM-NSHDSACASA-N 2 0 296.484 2.430 10 0 CEAERP CCC[NH2+]Cc1sc(N2CC[N@H+](C)C(C)(C)C2)nc1C ZINC000110760362 186323531 /nfs/dbraw/zinc/32/35/31/186323531.db2.gz CTVACRCNQWWPSN-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP CC(C)CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(F)c1F ZINC000111039791 186347015 /nfs/dbraw/zinc/34/70/15/186347015.db2.gz XHTHQIIOQUUGSP-OAHLLOKOSA-N 2 0 299.409 2.484 10 0 CEAERP C[N@@H+](Cc1ccc(F)cc1C[NH3+])C[C@H]1CCCOC1 ZINC000111157201 186361884 /nfs/dbraw/zinc/36/18/84/186361884.db2.gz AAOMZAQNAXMOIB-GFCCVEGCSA-N 2 0 266.360 2.143 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C)s1 ZINC000111131671 186355973 /nfs/dbraw/zinc/35/59/73/186355973.db2.gz GLYRVUGTWMHKEI-TZMCWYRMSA-N 2 0 269.458 2.328 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)c1C ZINC000111133427 186355975 /nfs/dbraw/zinc/35/59/75/186355975.db2.gz PLLZAHBQGBTJRA-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP C[C@@H](C[C@@H](C[NH3+])N(C)CCC[NH+](C)C)c1ccccc1 ZINC000111133830 186356258 /nfs/dbraw/zinc/35/62/58/186356258.db2.gz LUSKKICALJYROO-RDJZCZTQSA-N 2 0 277.456 2.391 10 0 CEAERP C[NH2+][C@H](c1ccc(OC)cc1)[C@H](C)N(C)CCC[NH+](C)C ZINC000111136764 186356985 /nfs/dbraw/zinc/35/69/85/186356985.db2.gz SMRGOODIILGJTA-YOEHRIQHSA-N 2 0 293.455 2.228 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccc(C)c(C)c1 ZINC000111135911 186357065 /nfs/dbraw/zinc/35/70/65/186357065.db2.gz WONKLFAXJJNCCR-QGZVFWFLSA-N 2 0 277.456 2.447 10 0 CEAERP C[NH2+][C@H](C)c1ccc(OC)c(CN(C)CCC[NH+](C)C)c1 ZINC000111136050 186357187 /nfs/dbraw/zinc/35/71/87/186357187.db2.gz MFRCOSDHOQJQGH-CQSZACIVSA-N 2 0 293.455 2.359 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1C ZINC000111134239 186357346 /nfs/dbraw/zinc/35/73/46/186357346.db2.gz HTTISHSQHZEJTN-MRXNPFEDSA-N 2 0 263.429 2.057 10 0 CEAERP Cc1cc(C)c([C@H]([NH3+])CN(C)CC[NH+](C)C)c(C)c1 ZINC000111134366 186357489 /nfs/dbraw/zinc/35/74/89/186357489.db2.gz JHGAKFZPCDFJBL-OAHLLOKOSA-N 2 0 263.429 2.105 10 0 CEAERP C[NH2+][C@@H](CN(C)CC[NH+](C)C)c1ccc(C)cc1C ZINC000111134242 186357492 /nfs/dbraw/zinc/35/74/92/186357492.db2.gz HTTISHSQHZEJTN-INIZCTEOSA-N 2 0 263.429 2.057 10 0 CEAERP CCc1ccc([C@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136123 186357802 /nfs/dbraw/zinc/35/78/02/186357802.db2.gz YYYKUKXINNVYKM-MRXNPFEDSA-N 2 0 263.429 2.132 10 0 CEAERP CC(C)Oc1ccc([C@@H]([NH3+])CN(C)CCC[NH+](C)C)cc1 ZINC000111136691 186357823 /nfs/dbraw/zinc/35/78/23/186357823.db2.gz RPTPVEHVJNOYLI-KRWDZBQOSA-N 2 0 293.455 2.357 10 0 CEAERP CN(CCC[NH+](C)C)c1cc(Cl)ccc1C(N)=[NH2+] ZINC000111138017 186357909 /nfs/dbraw/zinc/35/79/09/186357909.db2.gz ONFZPDDTOMVXRB-UHFFFAOYSA-N 2 0 268.792 2.012 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)CCC[NH+](C)C ZINC000111135721 186358046 /nfs/dbraw/zinc/35/80/46/186358046.db2.gz YISHDKGZHXNZMD-KKUMJFAQSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[C@]1(C[N@H+](C)CC2CCOCC2)CC[NH2+]C1 ZINC000111179357 186366562 /nfs/dbraw/zinc/36/65/62/186366562.db2.gz GRXVVTIGABYPRB-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CCC[NH2+]C[C@@]1(C[NH+]2CCCCC2)CCCOC1 ZINC000111324018 186396602 /nfs/dbraw/zinc/39/66/02/186396602.db2.gz ZIRRFSWBNROXIU-OAHLLOKOSA-N 2 0 254.418 2.269 10 0 CEAERP CCC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C)CCCOC1 ZINC000111326724 186398648 /nfs/dbraw/zinc/39/86/48/186398648.db2.gz ODYVUOCREWKAJV-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP C[N@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111324721 186399031 /nfs/dbraw/zinc/39/90/31/186399031.db2.gz IQWGDRPTLYVIQM-HNNXBMFYSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000111237362 186372939 /nfs/dbraw/zinc/37/29/39/186372939.db2.gz DCLPZVGXYVAZKB-LBPRGKRZSA-N 2 0 267.442 2.082 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(c2ccc(CC[NH3+])cc2)C1 ZINC000111482571 186423131 /nfs/dbraw/zinc/42/31/31/186423131.db2.gz VCFAIYWESHXBLJ-MRXNPFEDSA-N 2 0 261.413 2.108 10 0 CEAERP C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000093490862 539850656 /nfs/dbraw/zinc/85/06/56/539850656.db2.gz FUOMMRUHGTYXRF-JONQDZQNSA-N 2 0 266.429 2.456 10 0 CEAERP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccccc1 ZINC000152411168 188016522 /nfs/dbraw/zinc/01/65/22/188016522.db2.gz YFWCJKSZOHIJMY-NVXWUHKLSA-N 2 0 276.424 2.168 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337240259 366098715 /nfs/dbraw/zinc/09/87/15/366098715.db2.gz AUWFJXIHZLRMNM-QBPKDAKJSA-N 2 0 280.456 2.486 10 0 CEAERP CC[C@H]1CN(c2nc3ccccc3[nH]2)CC[N@@H+]1CCOC ZINC000134949533 366377986 /nfs/dbraw/zinc/37/79/86/366377986.db2.gz WTUASFWWPZQHII-ZDUSSCGKSA-N 2 0 288.395 2.110 10 0 CEAERP C[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000150771492 366596421 /nfs/dbraw/zinc/59/64/21/366596421.db2.gz RWXNHSBGCUMMRV-SJLPKXTDSA-N 2 0 288.435 2.312 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193641832 189647831 /nfs/dbraw/zinc/64/78/31/189647831.db2.gz DCFLBRIQWHPRJG-GJZGRUSLSA-N 2 0 283.460 2.145 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCC[NH+]1CCCCC1 ZINC000161952649 367124858 /nfs/dbraw/zinc/12/48/58/367124858.db2.gz PPLBFTGMEIOBHU-IAGOWNOFSA-N 2 0 279.472 2.421 10 0 CEAERP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cnc2ccccn12 ZINC000180838138 368399626 /nfs/dbraw/zinc/39/96/26/368399626.db2.gz CQXZCCDIHOITSN-LSDHHAIUSA-N 2 0 284.407 2.393 10 0 CEAERP CCC[C@]1(COC)CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261801892 284084647 /nfs/dbraw/zinc/08/46/47/284084647.db2.gz GYHIHOJCWNPMMY-HUUCEWRRSA-N 2 0 254.418 2.267 10 0 CEAERP FC(F)COCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000189367404 369506387 /nfs/dbraw/zinc/50/63/87/369506387.db2.gz KGVDLCQGEYSETP-GFCCVEGCSA-N 2 0 285.338 2.097 10 0 CEAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000246719550 371000491 /nfs/dbraw/zinc/00/04/91/371000491.db2.gz XMZGWJYFOSKOHA-QLFBSQMISA-N 2 0 295.471 2.131 10 0 CEAERP CC[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249368058 371315747 /nfs/dbraw/zinc/31/57/47/371315747.db2.gz MWEGKFLDMSLMDB-KBMXLJTQSA-N 2 0 266.429 2.096 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]12 ZINC000261601782 371673546 /nfs/dbraw/zinc/67/35/46/371673546.db2.gz BTJFFPKXIZKUDZ-DJIMGWMZSA-N 3 0 282.391 2.041 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]12 ZINC000261698540 371704580 /nfs/dbraw/zinc/70/45/80/371704580.db2.gz NYHRRGXXALXIQS-DJIMGWMZSA-N 2 0 282.391 2.041 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cnc4ccccc4c3)C[C@@H]12 ZINC000261789387 371732765 /nfs/dbraw/zinc/73/27/65/371732765.db2.gz QHXPBIVYRXKXIJ-ARFHVFGLSA-N 2 0 267.376 2.404 10 0 CEAERP CCC1([NH+](C)C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000640015813 371736689 /nfs/dbraw/zinc/73/66/89/371736689.db2.gz OKWQLEGVYHQVOW-HUUCEWRRSA-N 2 0 268.445 2.344 10 0 CEAERP Nc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261643122 371689254 /nfs/dbraw/zinc/68/92/54/371689254.db2.gz FULVVSIFZHRJBZ-AEFFLSMTSA-N 2 0 281.403 2.443 10 0 CEAERP CCn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261808979 371738531 /nfs/dbraw/zinc/73/85/31/371738531.db2.gz WOZPZKFRIYHBHT-SJORKVTESA-N 2 0 284.407 2.077 10 0 CEAERP COC(=O)C1CCC([NH2+][C@@H]2CN(C(C)C)C[C@H]2C)CC1 ZINC000262711646 371899174 /nfs/dbraw/zinc/89/91/74/371899174.db2.gz PVPKDPDIJVPWNE-XSCHDIRWSA-N 2 0 282.428 2.037 10 0 CEAERP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)c2ccccc2N1 ZINC000333319725 205216075 /nfs/dbraw/zinc/21/60/75/205216075.db2.gz UHSNRBPHUUZVTE-TZMCWYRMSA-N 2 0 273.380 2.049 10 0 CEAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccccc32)C1 ZINC000333324883 205220485 /nfs/dbraw/zinc/22/04/85/205220485.db2.gz VBNPYKOVQASYLB-LALPHHSUSA-N 2 0 273.380 2.320 10 0 CEAERP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CCOCC1 ZINC000573436932 299440799 /nfs/dbraw/zinc/44/07/99/299440799.db2.gz PYRWIWVIGONCSP-KBPBESRZSA-N 2 0 254.418 2.171 10 0 CEAERP CCc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000380177751 375159660 /nfs/dbraw/zinc/15/96/60/375159660.db2.gz ODQYIZCGMBJVNX-GDLCADMTSA-N 2 0 250.411 2.480 10 0 CEAERP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1cc[nH+]c(N)c1 ZINC000306763129 376555089 /nfs/dbraw/zinc/55/50/89/376555089.db2.gz FUWBRPDLKASJFG-AWEZNQCLSA-N 2 0 282.391 2.375 10 0 CEAERP CC[NH2+][C@@](C)(CO)CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000085217275 184606040 /nfs/dbraw/zinc/60/60/40/184606040.db2.gz WDKCAUZLNLDELU-QLFBSQMISA-N 2 0 256.434 2.105 10 0 CEAERP CC(C)[C@H](C)[N@H+](C)[C@@H](C)C[C@@](C)(CO)[NH2+]C1CC1 ZINC000085240350 184607748 /nfs/dbraw/zinc/60/77/48/184607748.db2.gz TTZBSTTVHXSPPY-YDHLFZDLSA-N 2 0 256.434 2.244 10 0 CEAERP CC1CCC([NH2+]CCN(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000092676760 184620327 /nfs/dbraw/zinc/62/03/27/184620327.db2.gz LJWODGYOWGVSFY-UYSNPLJNSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH+](CC)CCN1C(N)=[NH+]CC12CCCCCC2 ZINC000093382114 184670079 /nfs/dbraw/zinc/67/00/79/184670079.db2.gz PHKFJKCGMKUGMY-UHFFFAOYSA-N 2 0 266.433 2.052 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC000093730300 184709937 /nfs/dbraw/zinc/70/99/37/184709937.db2.gz JMFGGZMQNBOVCA-WBVHZDCISA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@@H]1CC[C@H](N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000093787745 184722569 /nfs/dbraw/zinc/72/25/69/184722569.db2.gz IOGOFJOQIFXARQ-ZBFHGGJFSA-N 2 0 265.445 2.077 10 0 CEAERP CC[N@@H+](Cc1scnc1C)CC1CC[NH2+]CC1 ZINC000094011624 184750266 /nfs/dbraw/zinc/75/02/66/184750266.db2.gz SKQKPXZXWYUPST-UHFFFAOYSA-N 2 0 253.415 2.273 10 0 CEAERP CC[C@@H](C)n1ccc(C[N@H+](C)CC2CC[NH2+]CC2)n1 ZINC000094024359 184750981 /nfs/dbraw/zinc/75/09/81/184750981.db2.gz DLUXSFGRLHZLPH-CYBMUJFWSA-N 2 0 264.417 2.286 10 0 CEAERP C[NH2+][C@H]1[C@H](N(C)CCC[NH+](C)C)CCCC1(C)C ZINC000094275762 184774537 /nfs/dbraw/zinc/77/45/37/184774537.db2.gz NWILCWRUFITHBF-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@]2(C[NH3+])CC(C)(C)OC2(C)C)CC1 ZINC000094425077 184795811 /nfs/dbraw/zinc/79/58/11/184795811.db2.gz SKHUSOGQFHMGTH-RHSMWYFYSA-N 2 0 297.487 2.078 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CCC[C@@H]2C[NH+](C)C)nc1 ZINC000094758118 184854689 /nfs/dbraw/zinc/85/46/89/184854689.db2.gz QUBVLKLCWBTAAC-QGZVFWFLSA-N 2 0 290.455 2.107 10 0 CEAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CSCCC2(C)C)CC1 ZINC000094484267 184808800 /nfs/dbraw/zinc/80/88/00/184808800.db2.gz DFFXUPIWISNHAB-MRXNPFEDSA-N 2 0 299.528 2.121 10 0 CEAERP OCC[C@H]([NH2+]C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000095078806 184936212 /nfs/dbraw/zinc/93/62/12/184936212.db2.gz WDEIUNYEONFYOZ-SFHVURJKSA-N 2 0 288.435 2.402 10 0 CEAERP CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000034663779 134778316 /nfs/dbraw/zinc/77/83/16/134778316.db2.gz CIUAYJBIXBGRTA-LBPRGKRZSA-N 2 0 265.376 2.248 10 0 CEAERP Cc1cccc(N2CC[NH+](CC3(CC[NH3+])CC3)CC2)c1 ZINC000088249145 135053684 /nfs/dbraw/zinc/05/36/84/135053684.db2.gz UBULMZZNTHQSNG-UHFFFAOYSA-N 2 0 273.424 2.246 10 0 CEAERP [NH3+]C[C@H]1CCC[C@@H]1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000089482838 135059255 /nfs/dbraw/zinc/05/92/55/135059255.db2.gz KPUAGKGHWWZXQR-HUUCEWRRSA-N 2 0 291.414 2.323 10 0 CEAERP C[C@H]([NH3+])Cc1cc(F)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091429785 135070004 /nfs/dbraw/zinc/07/00/04/135070004.db2.gz GCXKWWFVRRWYTB-WFASDCNBSA-N 2 0 279.403 2.246 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000091450303 135070302 /nfs/dbraw/zinc/07/03/02/135070302.db2.gz IKQHXSUMXINQRV-OAHLLOKOSA-N 2 0 276.428 2.112 10 0 CEAERP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(F)cc1CC[NH3+] ZINC000094444585 135088591 /nfs/dbraw/zinc/08/85/91/135088591.db2.gz TZFLJIUDMAFZIJ-CZUORRHYSA-N 2 0 291.414 2.390 10 0 CEAERP C[NH2+]Cc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000094443207 135088922 /nfs/dbraw/zinc/08/89/22/135088922.db2.gz YHNUXLCNUZQWDI-GFCCVEGCSA-N 2 0 294.830 2.129 10 0 CEAERP C[C@H]([NH3+])Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000094444535 135089009 /nfs/dbraw/zinc/08/90/09/135089009.db2.gz JQENCJZAEDODRY-WMLDXEAASA-N 2 0 273.424 2.251 10 0 CEAERP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000325093529 394550371 /nfs/dbraw/zinc/55/03/71/394550371.db2.gz NEERJCOQEQPTEM-JKSUJKDBSA-N 2 0 268.445 2.392 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188076770 395310037 /nfs/dbraw/zinc/31/00/37/395310037.db2.gz OEAPCVKAMAFOJO-OAGGEKHMSA-N 2 0 294.464 2.240 10 0 CEAERP CC(=[NH2+])N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000307731161 400339787 /nfs/dbraw/zinc/33/97/87/400339787.db2.gz MHPWVHQAWVACKK-HRCADAONSA-N 2 0 257.381 2.484 10 0 CEAERP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCC1 ZINC000228496712 153362408 /nfs/dbraw/zinc/36/24/08/153362408.db2.gz XNWCMJLZKCQAGH-IXDOHACOSA-N 2 0 280.456 2.488 10 0 CEAERP O[C@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCCCC1 ZINC000174685888 165115488 /nfs/dbraw/zinc/11/54/88/165115488.db2.gz AZJSPSYESIRWID-CQSZACIVSA-N 2 0 285.391 2.494 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000177024128 165186140 /nfs/dbraw/zinc/18/61/40/165186140.db2.gz WHZLLCWFNSVMDB-HZPDHXFCSA-N 2 0 295.471 2.194 10 0 CEAERP C[C@@H]1CCC[C@H](C)C1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000020128346 171014455 /nfs/dbraw/zinc/01/44/55/171014455.db2.gz MBBNVHCORDFGOG-XYPWUTKMSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000022171355 171368145 /nfs/dbraw/zinc/36/81/45/171368145.db2.gz QQVSWBGWKATTBR-MJBXVCDLSA-N 2 0 277.412 2.040 10 0 CEAERP CN([C@@H](C[NH3+])c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000022210385 171373011 /nfs/dbraw/zinc/37/30/11/171373011.db2.gz WLRCPCHNFQLKCI-HNNXBMFYSA-N 2 0 281.831 2.366 10 0 CEAERP Cc1cc(NCCCN2CC[NH2+]CC2)c2ccccc2[nH+]1 ZINC000035697597 172366004 /nfs/dbraw/zinc/36/60/04/172366004.db2.gz PVZSQWYBQZJIDM-UHFFFAOYSA-N 2 0 284.407 2.250 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CC(=O)OC ZINC000035748189 172396035 /nfs/dbraw/zinc/39/60/35/172396035.db2.gz DCVVRNOSILQJIW-CHWSQXEVSA-N 2 0 258.406 2.038 10 0 CEAERP CCN(CC)CC[NH2+][C@@H](C)C1CC[NH+](CC)CC1 ZINC000037209801 173031196 /nfs/dbraw/zinc/03/11/96/173031196.db2.gz RJCYOSNGYOPAGR-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC(C)(C)N(C)C)CC1 ZINC000037220631 173039604 /nfs/dbraw/zinc/03/96/04/173039604.db2.gz RHIYSZDHEPSQCQ-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H](C(C)C)N(C)C)CC1 ZINC000037221295 173040335 /nfs/dbraw/zinc/04/03/35/173040335.db2.gz GBANVVFNLYCVKY-GDBMZVCRSA-N 2 0 269.477 2.283 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000037490789 173232631 /nfs/dbraw/zinc/23/26/31/173232631.db2.gz QCJUWAJXACVIAO-ZNMIVQPWSA-N 2 0 256.434 2.390 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000040622506 174354545 /nfs/dbraw/zinc/35/45/45/174354545.db2.gz KYESQMAVVBEYEH-AWEZNQCLSA-N 2 0 276.380 2.235 10 0 CEAERP C[C@H]1CCN(C2(C[NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000040717187 174384060 /nfs/dbraw/zinc/38/40/60/174384060.db2.gz XECPJMBXAAVFHM-INIZCTEOSA-N 2 0 287.451 2.322 10 0 CEAERP CCCN(c1cc(C)ncn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748937 174393679 /nfs/dbraw/zinc/39/36/79/174393679.db2.gz UWQIYODJHHDYQZ-PBWFPOADSA-N 2 0 260.385 2.284 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc2c(c1)OCCCO2 ZINC000040749441 174394071 /nfs/dbraw/zinc/39/40/71/174394071.db2.gz GXAKOQUXXFBHTD-GOOCMWNKSA-N 2 0 288.391 2.302 10 0 CEAERP CC(C)[C@](C)(C[NH3+])N1CCC([NH+]2CCCCC2)CC1 ZINC000041156474 174500494 /nfs/dbraw/zinc/50/04/94/174500494.db2.gz FRPQSTBFDFBBNJ-INIZCTEOSA-N 2 0 267.461 2.310 10 0 CEAERP c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400985199 414748446 /nfs/dbraw/zinc/74/84/46/414748446.db2.gz YHODIXOLWQPBAZ-NHIYQJMISA-N 2 0 272.392 2.488 10 0 CEAERP CCCO[C@H]1CCCN(C2(C[NH3+])CC[NH+](CCC)CC2)C1 ZINC000042421348 174720141 /nfs/dbraw/zinc/72/01/41/174720141.db2.gz RZHMELVURYTHQP-INIZCTEOSA-N 2 0 297.487 2.081 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C[NH3+])c2ccccc2OC)CC1 ZINC000042615845 174829412 /nfs/dbraw/zinc/82/94/12/174829412.db2.gz MAOLSNVEENOJIC-INIZCTEOSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](C(C)C)CC1 ZINC000043335158 175010970 /nfs/dbraw/zinc/01/09/70/175010970.db2.gz CPBKUEIEVZWIHX-UKRRQHHQSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N1CC[NH+](CC2CC2)CC1 ZINC000043335801 175011492 /nfs/dbraw/zinc/01/14/92/175011492.db2.gz JADZCCVKNWGSAK-GOEBONIOSA-N 2 0 277.412 2.086 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000043348519 175018418 /nfs/dbraw/zinc/01/84/18/175018418.db2.gz XAWYURZSTMNVOQ-DLBZAZTESA-N 2 0 290.455 2.276 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N2CCC([NH+](C)C)CC2)o1 ZINC000043364372 175024405 /nfs/dbraw/zinc/02/44/05/175024405.db2.gz PNIGWRCDUFUCMQ-IUODEOHRSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1cc(C)cc([C@@H](C[NH3+])N2CC[NH+](C3CC3)CC2)c1 ZINC000043394396 175035095 /nfs/dbraw/zinc/03/50/95/175035095.db2.gz XAHNCAKYRSJDGI-QGZVFWFLSA-N 2 0 273.424 2.083 10 0 CEAERP Cc1cc(C)cc([C@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1 ZINC000043393843 175035225 /nfs/dbraw/zinc/03/52/25/175035225.db2.gz AYSSVXAOHOVZFS-KRWDZBQOSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccc(C)c(C)c1 ZINC000043810847 175110004 /nfs/dbraw/zinc/11/00/04/175110004.db2.gz HFHFAZLDLBIHMM-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815463 175112343 /nfs/dbraw/zinc/11/23/43/175112343.db2.gz OTWBFLYSHLSLPJ-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815310 175112583 /nfs/dbraw/zinc/11/25/83/175112583.db2.gz DATJXMPSLQQYBN-BMFZPTHFSA-N 2 0 267.461 2.179 10 0 CEAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1ccc(C)c(C)c1 ZINC000043818217 175113051 /nfs/dbraw/zinc/11/30/51/175113051.db2.gz AEZCAXPCLFETHD-KRWDZBQOSA-N 2 0 275.440 2.201 10 0 CEAERP C[NH2+][C@@H](CN1CCC[N@H+](C)CC1)c1cc2ccccc2o1 ZINC000043818243 175113158 /nfs/dbraw/zinc/11/31/58/175113158.db2.gz RBUZWXQDLANOQS-HNNXBMFYSA-N 2 0 287.407 2.331 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000043965457 175126420 /nfs/dbraw/zinc/12/64/20/175126420.db2.gz GBHPYWRSQNCEMC-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965500 175127164 /nfs/dbraw/zinc/12/71/64/175127164.db2.gz ANCYSIYHICDSMD-SJORKVTESA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967849 175128994 /nfs/dbraw/zinc/12/89/94/175128994.db2.gz DYSRLXXKKWSVDD-SJORKVTESA-N 2 0 279.472 2.325 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@H](CC)N1CC[NH+](C2CC2)CC1 ZINC000043967723 175129322 /nfs/dbraw/zinc/12/93/22/175129322.db2.gz RLAJGIUHYTWIEL-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@H+](CC)CCC)C(N)=O ZINC000045386945 175373175 /nfs/dbraw/zinc/37/31/75/175373175.db2.gz DJJWBEXFGPGBGD-OAHLLOKOSA-N 2 0 271.449 2.132 10 0 CEAERP CCC[C@@H]1C[C@](C[NH3+])(N2CC[NH+]([C@@H](C)CC)CC2)CCO1 ZINC000070365890 175895148 /nfs/dbraw/zinc/89/51/48/175895148.db2.gz AIUGSQVOTRQMJZ-GVDBMIGSSA-N 2 0 297.487 2.079 10 0 CEAERP CCC[N@H+](CCC[NH3+])C[C@H]1OCCc2ccccc21 ZINC000071044740 176029686 /nfs/dbraw/zinc/02/96/86/176029686.db2.gz VWKTUHLJSVXCNO-MRXNPFEDSA-N 2 0 262.397 2.361 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000071123435 176035132 /nfs/dbraw/zinc/03/51/32/176035132.db2.gz WRZXMVOWBIGNSF-GDBMZVCRSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[C@H](c1ccccc1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148694 176044494 /nfs/dbraw/zinc/04/44/94/176044494.db2.gz AEMUPXFFKMFYAE-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP C[C@@H](c1ccc(Cl)s1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148989 176044598 /nfs/dbraw/zinc/04/45/98/176044598.db2.gz USKSAYRNSMLDSO-NSHDSACASA-N 2 0 287.860 2.300 10 0 CEAERP C[C@H](c1ccc(Cl)s1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148991 176044794 /nfs/dbraw/zinc/04/47/94/176044794.db2.gz USKSAYRNSMLDSO-LLVKDONJSA-N 2 0 287.860 2.300 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)CCC[NH+](C)C ZINC000071162279 176046383 /nfs/dbraw/zinc/04/63/83/176046383.db2.gz CWRIEGUQTZMPAG-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]1CCCC[C@]1(C[NH3+])N(C)CC[NH+]1CCCC1 ZINC000071162231 176046682 /nfs/dbraw/zinc/04/66/82/176046682.db2.gz FOTZLLXPPYRMDP-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[C@H]1CC[C@H]([NH2+]C)[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188899 176063319 /nfs/dbraw/zinc/06/33/19/176063319.db2.gz OEKZEAXZMKUDGY-VVLHAWIVSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188782 176063631 /nfs/dbraw/zinc/06/36/31/176063631.db2.gz ARTXEKGNDIEQGU-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071188697 176063748 /nfs/dbraw/zinc/06/37/48/176063748.db2.gz UKPQMUWWKCLIGK-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CCC[NH2+][C@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189011 176064856 /nfs/dbraw/zinc/06/48/56/176064856.db2.gz BGOKIQAFQOGVDV-YVSFHVDLSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071193054 176075396 /nfs/dbraw/zinc/07/53/96/176075396.db2.gz HARFSWIEIGLOKR-OLZOCXBDSA-N 2 0 290.411 2.122 10 0 CEAERP CC(C)[NH2+][C@H]1CCCN(CC[N@H+](C)C2CCCC2)C1 ZINC000071199889 176077341 /nfs/dbraw/zinc/07/73/41/176077341.db2.gz YYBQSXCNMQRPCQ-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@@H]1CCCN([C@@H](C)C[NH+](CC)CC)C1 ZINC000071200870 176077725 /nfs/dbraw/zinc/07/77/25/176077725.db2.gz WJHSQWIOFUKTBI-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000071263622 176097092 /nfs/dbraw/zinc/09/70/92/176097092.db2.gz XEDDCTYLPJPBIS-OAHLLOKOSA-N 2 0 266.360 2.021 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267866 176101601 /nfs/dbraw/zinc/10/16/01/176101601.db2.gz YYLOLDAUUOLJDF-CYBMUJFWSA-N 2 0 279.359 2.111 10 0 CEAERP C[NH2+]CCCCCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000071290010 176110552 /nfs/dbraw/zinc/11/05/52/176110552.db2.gz QDPJTXMEJRITSQ-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401179 176153556 /nfs/dbraw/zinc/15/35/56/176153556.db2.gz AAOLZPYWPUKKGG-GOEBONIOSA-N 2 0 289.423 2.067 10 0 CEAERP COc1ccc([C@@H](CC[NH3+])C[NH+](C)C)c(C)c1C ZINC000076655182 177045022 /nfs/dbraw/zinc/04/50/22/177045022.db2.gz PAGTVLJXMBJLCG-ZDUSSCGKSA-N 2 0 250.386 2.306 10 0 CEAERP CC[C@@H](CC[NH3+])CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000079206186 177445348 /nfs/dbraw/zinc/44/53/48/177445348.db2.gz JHWWYBXPJCEMPV-OAHLLOKOSA-N 2 0 285.476 2.377 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])C(C)C)CC1 ZINC000136407959 419447944 /nfs/dbraw/zinc/44/79/44/419447944.db2.gz YXBQZFSKXZQOSR-MRXNPFEDSA-N 2 0 297.487 2.330 10 0 CEAERP C[C@@H]([NH2+]CCOCc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000667006702 419510518 /nfs/dbraw/zinc/51/05/18/419510518.db2.gz UXYYTFMLIWQBFR-GDBMZVCRSA-N 2 0 262.397 2.181 10 0 CEAERP C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C1C[NH2+]C1 ZINC000422816271 270781983 /nfs/dbraw/zinc/78/19/83/270781983.db2.gz DWUYUBZBMYJNRZ-GDPRMGEGSA-N 2 0 250.308 2.305 10 0 CEAERP C[C@@H]([NH2+]C1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000400412323 274244323 /nfs/dbraw/zinc/24/43/23/274244323.db2.gz UKNDUZSHAZJHDC-NVXWUHKLSA-N 2 0 287.451 2.239 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N(C)Cc1ccccc1 ZINC000400767026 279348490 /nfs/dbraw/zinc/34/84/90/279348490.db2.gz ZIFSOCWJOPTZAH-VYDXJSESSA-N 2 0 275.440 2.095 10 0 CEAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000247963812 280341107 /nfs/dbraw/zinc/34/11/07/280341107.db2.gz GNVPQWBPNJYUAS-MWDXBVQZSA-N 2 0 298.471 2.017 10 0 CEAERP Brc1cccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000258802621 280526961 /nfs/dbraw/zinc/52/69/61/280526961.db2.gz CXRMGFWOQMFZMY-LLVKDONJSA-N 2 0 269.186 2.148 10 0 CEAERP C[C@H]([NH3+])CC[NH2+]Cc1cccc(Br)c1 ZINC000258872077 280527511 /nfs/dbraw/zinc/52/75/11/280527511.db2.gz ZWWKPSWKJRUIRB-VIFPVBQESA-N 2 0 257.175 2.276 10 0 CEAERP FC(F)(F)c1ccccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398323708 280692165 /nfs/dbraw/zinc/69/21/65/280692165.db2.gz NRRUHJDKLKIEKQ-SNVBAGLBSA-N 2 0 258.287 2.405 10 0 CEAERP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249384929 281199074 /nfs/dbraw/zinc/19/90/74/281199074.db2.gz PPLBFTGMEIOBHU-IRXDYDNUSA-N 2 0 279.472 2.421 10 0 CEAERP C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000573952775 314186603 /nfs/dbraw/zinc/18/66/03/314186603.db2.gz VTLOHGLIBJQOJZ-OBTMHIKCSA-N 2 0 274.408 2.322 10 0 CEAERP C(CN1CC[C@H]([NH+]2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000062980265 518391728 /nfs/dbraw/zinc/39/17/28/518391728.db2.gz ZEPYFPJOPWXDHH-HOTGVXAUSA-N 2 0 265.445 2.079 10 0 CEAERP CC(C)=CC[NH+]1CCC(N[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000049151154 519426732 /nfs/dbraw/zinc/42/67/32/519426732.db2.gz SNCJYHYPGJVDNM-INIZCTEOSA-N 2 0 279.472 2.491 10 0 CEAERP CC(C)C[NH+]1CCN([C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000055078403 519728496 /nfs/dbraw/zinc/72/84/96/519728496.db2.gz SONIWCVVCDRQQN-JKSUJKDBSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000052571613 519743552 /nfs/dbraw/zinc/74/35/52/519743552.db2.gz OYFXCLYNGGPYPW-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)[C@@H](C[NH2+]C1CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000052573434 519794755 /nfs/dbraw/zinc/79/47/55/519794755.db2.gz HQDOZCOUXOAZDP-QGZVFWFLSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[NH2+][C@@H](C)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055078749 519983826 /nfs/dbraw/zinc/98/38/26/519983826.db2.gz DAVIPVWYIVPUTN-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)on1 ZINC000052373336 519986818 /nfs/dbraw/zinc/98/68/18/519986818.db2.gz KCOVOYZCRIPUFI-RYUDHWBXSA-N 2 0 251.374 2.405 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979578 519987214 /nfs/dbraw/zinc/98/72/14/519987214.db2.gz SDOFHTIDTVBTGY-XHSDSOJGSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+]Cc1occc1CN(CC[NH+](C)C)CC(C)C ZINC000052503329 520030141 /nfs/dbraw/zinc/03/01/41/520030141.db2.gz UAXAAOHKMDOJBQ-UHFFFAOYSA-N 2 0 281.444 2.409 10 0 CEAERP CCCCC[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655148 520224191 /nfs/dbraw/zinc/22/41/91/520224191.db2.gz PGQPGRNTRYZJHF-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCO[C@@H](C[NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000062739930 520311153 /nfs/dbraw/zinc/31/11/53/520311153.db2.gz HIWFWOPVWYDPRC-AWEZNQCLSA-N 2 0 254.418 2.397 10 0 CEAERP CC[N@@H+](Cc1cc(C)ccc1OC)C[C@H](C)C[NH3+] ZINC000050702801 521289042 /nfs/dbraw/zinc/28/90/42/521289042.db2.gz XDIFLNBKXHELSA-CYBMUJFWSA-N 2 0 250.386 2.420 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1CC[NH2+]CC1CCCCC1 ZINC000061655180 521838904 /nfs/dbraw/zinc/83/89/04/521838904.db2.gz OHJMBGWQZKQFCF-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)C[NH2+]C(C)(C)C)CC1 ZINC000055074101 522129178 /nfs/dbraw/zinc/12/91/78/522129178.db2.gz BBPDBUGQIPAWFJ-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479998 522193430 /nfs/dbraw/zinc/19/34/30/522193430.db2.gz PDWZNYMFGLROGN-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP C(CC[NH2+]C1CC1)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000052540315 518383645 /nfs/dbraw/zinc/38/36/45/518383645.db2.gz PLZFCNACJBFQCQ-HUUCEWRRSA-N 2 0 252.402 2.162 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000061711822 518753993 /nfs/dbraw/zinc/75/39/93/518753993.db2.gz NXWBGGGCJBECDW-CYBMUJFWSA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)[NH+]1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016003 519682981 /nfs/dbraw/zinc/68/29/81/519682981.db2.gz VOUGVOLWVRNMAK-INIZCTEOSA-N 2 0 261.413 2.103 10 0 CEAERP CC(C)[NH+]1CCN(c2nc(C(C)(C)C)c(C[NH3+])s2)CC1 ZINC000054997426 519683636 /nfs/dbraw/zinc/68/36/36/519683636.db2.gz WBBSIZYIXRLTKK-UHFFFAOYSA-N 2 0 296.484 2.430 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673639 519723938 /nfs/dbraw/zinc/72/39/38/519723938.db2.gz GMKDMHJULCUCKY-HRCADAONSA-N 2 0 284.444 2.033 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)[C@@H](C)C2CC2)O1 ZINC000052479262 519723968 /nfs/dbraw/zinc/72/39/68/519723968.db2.gz ISKMJSLRWQIXHL-AEGPPILISA-N 2 0 254.418 2.262 10 0 CEAERP CC(C)[NH2+]C[C@H]1CCN(C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000053034137 519725285 /nfs/dbraw/zinc/72/52/85/519725285.db2.gz VZBCIQJUARRBCJ-HZPDHXFCSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH+]1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000055075972 519725532 /nfs/dbraw/zinc/72/55/32/519725532.db2.gz FOVUUBPHVVTVFQ-UHFFFAOYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH+]1CCN(CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000055081996 519725977 /nfs/dbraw/zinc/72/59/77/519725977.db2.gz IXQCAUSIQCBKJF-CQSZACIVSA-N 2 0 255.450 2.024 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)CCC[NH2+]C(C)C)CC1 ZINC000055082925 519727334 /nfs/dbraw/zinc/72/73/34/519727334.db2.gz MZSALWYVDZAQCP-INIZCTEOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055079690 519727472 /nfs/dbraw/zinc/72/74/72/519727472.db2.gz YPSWONXVKJVDQJ-INIZCTEOSA-N 2 0 288.439 2.327 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2ccccc2F)[C@@H](C)[NH3+])CC1 ZINC000055077397 519727916 /nfs/dbraw/zinc/72/79/16/519727916.db2.gz WIFHVSVJEVCZAG-PBHICJAKSA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCc3ccccc3[C@@H]2[NH3+])CC1 ZINC000055078898 519728520 /nfs/dbraw/zinc/72/85/20/519728520.db2.gz AHDIIXOERVOXAN-ROUUACIJSA-N 2 0 287.451 2.275 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccc(F)cc2C[NH3+])CC1 ZINC000055080298 519728606 /nfs/dbraw/zinc/72/86/06/519728606.db2.gz UHKKNOXPNZKVEY-UHFFFAOYSA-N 2 0 265.376 2.062 10 0 CEAERP CC(C)C[NH+]1CCN(c2ccnc(C[NH2+]C3CC3)c2)CC1 ZINC000055082447 519729292 /nfs/dbraw/zinc/72/92/92/519729292.db2.gz ANZVDTLZYIXBSW-UHFFFAOYSA-N 2 0 288.439 2.112 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N(C)C1CC[NH+](C)CC1 ZINC000052419963 519744137 /nfs/dbraw/zinc/74/41/37/519744137.db2.gz QBXZZKPBKOFVPR-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]Cc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000062734210 519746770 /nfs/dbraw/zinc/74/67/70/519746770.db2.gz NEYTVXBKPMWJOR-UHFFFAOYSA-N 2 0 279.403 2.323 10 0 CEAERP CC(C)[C@@H](C[NH3+])O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702300 519794215 /nfs/dbraw/zinc/79/42/15/519794215.db2.gz FLLBEYRJSHPHCG-JKSUJKDBSA-N 2 0 262.397 2.261 10 0 CEAERP CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C[NH+]2CCSCC2)C1 ZINC000054559665 519803351 /nfs/dbraw/zinc/80/33/51/519803351.db2.gz CHQVJBXYEQJHFC-HZSPNIEDSA-N 2 0 256.459 2.435 10 0 CEAERP CCC[NH+]1CCC(C[NH3+])(N(CC)Cc2ccncc2)CC1 ZINC000049023826 519842276 /nfs/dbraw/zinc/84/22/76/519842276.db2.gz UAMUBYHIKKZJAV-UHFFFAOYSA-N 2 0 290.455 2.107 10 0 CEAERP CCC1CCC([N@H+](C)CCN2CCC[NH2+]CC2)CC1 ZINC000061275373 519853183 /nfs/dbraw/zinc/85/31/83/519853183.db2.gz FKJYWORPMFERNG-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CCCN1CC[NH+]([C@H](C)CCC[NH2+]CC(C)C)CC1 ZINC000052421986 519859713 /nfs/dbraw/zinc/85/97/13/519859713.db2.gz DNJHJPDBELMOBV-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH+]1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052904768 519860246 /nfs/dbraw/zinc/86/02/46/519860246.db2.gz MBFYSIVYOVZCGN-UHFFFAOYSA-N 2 0 280.803 2.156 10 0 CEAERP CCC[NH2+]CC[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571716 519919434 /nfs/dbraw/zinc/91/94/34/519919434.db2.gz HIBXIMZEZDTONJ-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1 ZINC000062971440 519950616 /nfs/dbraw/zinc/95/06/16/519950616.db2.gz YCXVPPBBFKTHQS-MRXNPFEDSA-N 2 0 288.439 2.256 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CCC[C@H]1C[NH+](C)C ZINC000061654200 519955726 /nfs/dbraw/zinc/95/57/26/519955726.db2.gz HQUPVRNXNOXZNS-HNNXBMFYSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)on1 ZINC000052373337 519986550 /nfs/dbraw/zinc/98/65/50/519986550.db2.gz KCOVOYZCRIPUFI-NEPJUHHUSA-N 2 0 251.374 2.405 10 0 CEAERP CCC[NH2+][C@@H](CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000053932216 520002966 /nfs/dbraw/zinc/00/29/66/520002966.db2.gz OIBYDPHUBVJMMM-KRWDZBQOSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+]Cc1cccc(N2CC[NH+]([C@H](C)CC)CC2)n1 ZINC000055073522 520004593 /nfs/dbraw/zinc/00/45/93/520004593.db2.gz IRCJIQYVBJNGRJ-CQSZACIVSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+]([C@@H](C)CC)CC2)nc1C ZINC000055076555 520034534 /nfs/dbraw/zinc/03/45/34/520034534.db2.gz MHMDRNXDOSBADZ-LBPRGKRZSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N2CCC([NH+](C)C)CC2)s1 ZINC000054903750 520080427 /nfs/dbraw/zinc/08/04/27/520080427.db2.gz WIRRHJBEIVQZNQ-NSHDSACASA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(N(C)C2CC[NH+](C)CC2)s1 ZINC000054899511 520080684 /nfs/dbraw/zinc/08/06/84/520080684.db2.gz YXDQRHUYAPUIFR-NSHDSACASA-N 2 0 282.457 2.344 10 0 CEAERP CCC[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000062965302 520082302 /nfs/dbraw/zinc/08/23/02/520082302.db2.gz SPNBFHMQJIMWNU-DLBZAZTESA-N 2 0 275.440 2.363 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653567 520094014 /nfs/dbraw/zinc/09/40/14/520094014.db2.gz JWRDHVQLORAVBJ-XHSDSOJGSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081870 520094597 /nfs/dbraw/zinc/09/45/97/520094597.db2.gz RICBKRGGFQXQKJ-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653576 520122761 /nfs/dbraw/zinc/12/27/61/520122761.db2.gz VBNIXYSUMGVITD-YLFCFFPRSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CC[NH+]1CCCC1 ZINC000063053650 520123139 /nfs/dbraw/zinc/12/31/39/520123139.db2.gz RZHUSTAQYSXWKJ-GVDBMIGSSA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000054560319 520122985 /nfs/dbraw/zinc/12/29/85/520122985.db2.gz LYLZDKCRXVEJHH-YLFCFFPRSA-N 2 0 282.472 2.494 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000061270505 520168282 /nfs/dbraw/zinc/16/82/82/520168282.db2.gz ZTESHGGVZZGDLC-GFCCVEGCSA-N 2 0 293.411 2.083 10 0 CEAERP CCO[C@@H]1CCC[N@H+](CC2(C[NH2+]C3CC3)CCOCC2)C1 ZINC000052198137 520319954 /nfs/dbraw/zinc/31/99/54/520319954.db2.gz GKXBVSYCCAYESW-MRXNPFEDSA-N 2 0 296.455 2.036 10 0 CEAERP CCCCN(C1CC1)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000048992448 520438298 /nfs/dbraw/zinc/43/82/98/520438298.db2.gz OKTIGMWKIJDUDA-UHFFFAOYSA-N 2 0 267.461 2.453 10 0 CEAERP CCO[C@H]1CCC[N@H+](CC2(C[NH2+]C(C)C)CCOCC2)C1 ZINC000052198135 520527995 /nfs/dbraw/zinc/52/79/95/520527995.db2.gz JRGSMTUHIBHEGX-INIZCTEOSA-N 2 0 298.471 2.282 10 0 CEAERP CC[NH+](CC)CCCN1CC[C@@H](C[NH2+]C(C)C)C1 ZINC000053012716 520609856 /nfs/dbraw/zinc/60/98/56/520609856.db2.gz TVYBGARONPCOSP-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@@H]1CC[C@H]([NH2+]CC)[C@H](C[N@@H+]2CC[C@H](O)C2)C1 ZINC000061711928 520829593 /nfs/dbraw/zinc/82/95/93/520829593.db2.gz ALYIVFIKSNCSQR-UGUYLWEFSA-N 2 0 268.445 2.248 10 0 CEAERP CC1CCC([NH+]2CCN(c3cc[nH+]cc3N)CC2)CC1 ZINC000068606696 520943542 /nfs/dbraw/zinc/94/35/42/520943542.db2.gz FUTDJDYXAODKQX-UHFFFAOYSA-N 2 0 274.412 2.365 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[NH+](CCC)CC1 ZINC000069379409 521120251 /nfs/dbraw/zinc/12/02/51/521120251.db2.gz FTLJJHSQWVNRBZ-HNNXBMFYSA-N 2 0 255.450 2.312 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000069381183 521120926 /nfs/dbraw/zinc/12/09/26/521120926.db2.gz RHQNXIBTZJMLHU-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC[N@H+](CCOc1ccc(C[NH2+]C)cc1)[C@H](C)COC ZINC000052504864 521148964 /nfs/dbraw/zinc/14/89/64/521148964.db2.gz JDAYTYWEOUFLIQ-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CCC[C@](C)(C[NH3+])CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055072082 521267080 /nfs/dbraw/zinc/26/70/80/521267080.db2.gz NEOLEMJFEKEOFU-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP CCC(C)(C)[N@H+](C)CCC[C@@](C)(NC)C(=O)OC ZINC000069443356 521300770 /nfs/dbraw/zinc/30/07/70/521300770.db2.gz YOFMTQGQMCEGJU-CQSZACIVSA-N 2 0 258.406 2.038 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C)C1 ZINC000049197548 521627258 /nfs/dbraw/zinc/62/72/58/521627258.db2.gz STCJJRUJZANUKC-OAGGEKHMSA-N 2 0 269.477 2.283 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]CC)oc1C ZINC000052544272 521656754 /nfs/dbraw/zinc/65/67/54/521656754.db2.gz CBHFLXRDVVSVPV-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP CCC[N@H+](CCn1cc(C[NH2+]CC(C)C)nn1)C(C)C ZINC000052450418 521674961 /nfs/dbraw/zinc/67/49/61/521674961.db2.gz CVJUANBOMZKRPO-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CC[NH+]1CCN(Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052422402 521689802 /nfs/dbraw/zinc/68/98/02/521689802.db2.gz YLMBROWGUALWGK-UHFFFAOYSA-N 2 0 273.380 2.029 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccccc1Cl ZINC000061642132 521843869 /nfs/dbraw/zinc/84/38/69/521843869.db2.gz OFVCVZSIWHZDMM-WFASDCNBSA-N 2 0 281.831 2.366 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1CC(C)(C)C[NH2+]C(C)(C)C ZINC000061653540 521865837 /nfs/dbraw/zinc/86/58/37/521865837.db2.gz WOZACVQVXAVYBF-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1C1(C[NH3+])CCCCCCC1 ZINC000061642994 521866089 /nfs/dbraw/zinc/86/60/89/521866089.db2.gz FKXRHRASARFIGG-OAHLLOKOSA-N 2 0 267.461 2.454 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1nc2ccccc2cc1C[NH3+] ZINC000061645989 521876795 /nfs/dbraw/zinc/87/67/95/521876795.db2.gz XGCQCBMKQGEMIT-OAHLLOKOSA-N 2 0 284.407 2.224 10 0 CEAERP C[NH+](C)[C@@H]1CCN([C@@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])C1 ZINC000062964890 522052420 /nfs/dbraw/zinc/05/24/20/522052420.db2.gz KXNQRUSCONTFPV-ZJPYXAASSA-N 2 0 287.451 2.286 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH2+]C)C(C)(C)C)CC1 ZINC000055065215 522123303 /nfs/dbraw/zinc/12/33/03/522123303.db2.gz KDKARGWBQBALTF-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2)CC1 ZINC000055065555 522124519 /nfs/dbraw/zinc/12/45/19/522124519.db2.gz QHUHPTNRKAFRKS-ZBFHGGJFSA-N 2 0 261.413 2.103 10 0 CEAERP C[NH2+]Cc1cccc(CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000052573488 522126667 /nfs/dbraw/zinc/12/66/67/522126667.db2.gz QGBUTKCUKFLQIN-UHFFFAOYSA-N 2 0 287.451 2.466 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000055063616 522129528 /nfs/dbraw/zinc/12/95/28/522129528.db2.gz NFOHRFPTDDPPQZ-WBVHZDCISA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2Cc3ccccc3[C@@H]2[NH2+]C)CC1 ZINC000055065271 522131505 /nfs/dbraw/zinc/13/15/05/522131505.db2.gz WNXKOJJANRFCSA-JLSDUUJJSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+]Cc1sc(N(C)[C@H]2CCC[N@H+](C)C2)nc1C1CC1 ZINC000069180134 522167860 /nfs/dbraw/zinc/16/78/60/522167860.db2.gz YREDAFRLWJKTAH-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N(C)C1CC[NH+](C)CC1 ZINC000052419789 522189396 /nfs/dbraw/zinc/18/93/96/522189396.db2.gz DEEDGRNNXWBUNV-CYBMUJFWSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H](C)c1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054899460 522456336 /nfs/dbraw/zinc/45/63/36/522456336.db2.gz YVZJJNODHIQMFR-SNVBAGLBSA-N 2 0 282.457 2.262 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CC[NH+](C(C)(C)C)CC1 ZINC000052571594 522548073 /nfs/dbraw/zinc/54/80/73/522548073.db2.gz MSPHLXLRWOLURN-HNNXBMFYSA-N 2 0 269.477 2.427 10 0 CEAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)C[C@@H]1CCCCO1 ZINC000050953262 522787152 /nfs/dbraw/zinc/78/71/52/522787152.db2.gz GVDDMKUBMAOHFV-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP CC[C@H]([C@@H]([NH2+]C)c1ccccc1)N1CC[C@H]([NH+](C)C)C1 ZINC000062965086 522930619 /nfs/dbraw/zinc/93/06/19/522930619.db2.gz CQGVSQZWLBERSE-BBWFWOEESA-N 2 0 275.440 2.362 10 0 CEAERP COCC1CC[NH+](C[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])CC1 ZINC000070082191 522936040 /nfs/dbraw/zinc/93/60/40/522936040.db2.gz VCQHCVSWAKGUTE-QEJZJMRPSA-N 2 0 254.418 2.108 10 0 CEAERP CC[C@@H]([C@@H]([NH3+])c1ccccc1)N(C)CC[NH+]1CCCC1 ZINC000063051422 523088570 /nfs/dbraw/zinc/08/85/70/523088570.db2.gz GBBZKQBGSABSLS-IRXDYDNUSA-N 2 0 275.440 2.493 10 0 CEAERP COCCC[N@H+](CCOC)[C@@H](C)CC[NH2+]C(C)(C)C ZINC000052543331 523257015 /nfs/dbraw/zinc/25/70/15/523257015.db2.gz GEZPVSOEYCCHJD-AWEZNQCLSA-N 2 0 274.449 2.138 10 0 CEAERP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C[NH2+]C ZINC000052571225 523518090 /nfs/dbraw/zinc/51/80/90/523518090.db2.gz USGDTZAJWIPCRS-CZUORRHYSA-N 2 0 262.397 2.405 10 0 CEAERP CN1CCC([N@H+](C)Cc2oc3ccccc3c2C[NH3+])CC1 ZINC000052419867 523617765 /nfs/dbraw/zinc/61/77/65/523617765.db2.gz PQMWMKHDHRRRGI-UHFFFAOYSA-N 2 0 287.407 2.418 10 0 CEAERP COCC[N@H+](C)Cc1cccc(C[NH2+]C(C)C)c1 ZINC000052572793 523624505 /nfs/dbraw/zinc/62/45/05/523624505.db2.gz GVWUBWDMHRMAPJ-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP C[NH+]1CCC(N2CCC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000062667078 523768713 /nfs/dbraw/zinc/76/87/13/523768713.db2.gz NOBLZJDTNKRYMY-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP C[N@@H+]1CCCN([C@@H](C[NH2+]C2CC2)c2ccccc2)CC1 ZINC000052424438 523809428 /nfs/dbraw/zinc/80/94/28/523809428.db2.gz IZMAFJJODNUVKI-KRWDZBQOSA-N 2 0 273.424 2.117 10 0 CEAERP CC[C@H](C)N1CC[NH+](CC2(CC)CC[NH2+]CC2)CC1 ZINC000062851278 523952677 /nfs/dbraw/zinc/95/26/77/523952677.db2.gz CJPCESUCLGRCHB-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+][C@@H](C)C(C)C)CC1 ZINC000055075018 523954418 /nfs/dbraw/zinc/95/44/18/523954418.db2.gz DXLDMYGLRRGGSZ-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000055064272 523955737 /nfs/dbraw/zinc/95/57/37/523955737.db2.gz AKJQLXZOIZPCAA-ZDUSSCGKSA-N 2 0 279.403 2.201 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000055063754 523958121 /nfs/dbraw/zinc/95/81/21/523958121.db2.gz DIHCMEBMRBONJG-ZMSDIMECSA-N 2 0 275.440 2.491 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N2CC[NH+]([C@H](C)CC)CC2)o1 ZINC000055064345 524047920 /nfs/dbraw/zinc/04/79/20/524047920.db2.gz YFAGYFKYJUKQLV-HIFRSBDPSA-N 2 0 279.428 2.258 10 0 CEAERP C[NH+](C)CCCOCc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052672443 524058322 /nfs/dbraw/zinc/05/83/22/524058322.db2.gz FNAHYWYPUNEAOZ-UHFFFAOYSA-N 2 0 269.389 2.031 10 0 CEAERP COc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)c1 ZINC000061642039 524168264 /nfs/dbraw/zinc/16/82/64/524168264.db2.gz NMFKXYMJRLCCNN-LXZKKBNFSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H]1CC[C@H](C)[C@@](CN)([N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000068630012 524659174 /nfs/dbraw/zinc/65/91/74/524659174.db2.gz ATLZBSRGJVLJJZ-HLLBOEOZSA-N 2 0 281.488 2.414 10 0 CEAERP Cc1cc(CN2CCC([NH+]3CCCCC3)CC2)oc1C[NH3+] ZINC000052484213 524677806 /nfs/dbraw/zinc/67/78/06/524677806.db2.gz IPUKXKKPAYZMLT-UHFFFAOYSA-N 2 0 291.439 2.497 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642151 524839157 /nfs/dbraw/zinc/83/91/57/524839157.db2.gz OUJLIJDMTOHXMA-YUTCNCBUSA-N 2 0 267.442 2.162 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CC[NH+](C(C)C)CC1 ZINC000050578624 525002513 /nfs/dbraw/zinc/00/25/13/525002513.db2.gz JVPOHRMVHSLUTL-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP Cc1ccccc1C[N@@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183541 525127867 /nfs/dbraw/zinc/12/78/67/525127867.db2.gz IJEGMAXHXRKQQZ-UHFFFAOYSA-N 2 0 262.397 2.182 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@@H](C)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061643507 525190808 /nfs/dbraw/zinc/19/08/08/525190808.db2.gz UVUNYIUQGLRHSY-UNEWFSDZSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H](c1cccs1)[N@H+](C)CCN1CCC[NH2+]CC1 ZINC000061275479 526152919 /nfs/dbraw/zinc/15/29/19/526152919.db2.gz DASMLJPYVHEOKB-CYBMUJFWSA-N 2 0 267.442 2.036 10 0 CEAERP Cc1oc(CN2CCC[C@@H]2C[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000061654483 526771391 /nfs/dbraw/zinc/77/13/91/526771391.db2.gz RRHHDOKJPUTVAR-MRXNPFEDSA-N 2 0 291.439 2.366 10 0 CEAERP Cc1nc(N2CCC[N@H+](C)CC2)sc1C[NH2+]CC(C)C ZINC000054968953 526964961 /nfs/dbraw/zinc/96/49/61/526964961.db2.gz WTARBGPSEYJTOP-UHFFFAOYSA-N 2 0 296.484 2.339 10 0 CEAERP Cc1nc(N2CC[NH+](C(C)(C)C)CC2)sc1[C@H](C)[NH3+] ZINC000054898192 526967041 /nfs/dbraw/zinc/96/70/41/526967041.db2.gz XSISOYYJPGOQJB-JTQLQIEISA-N 2 0 282.457 2.392 10 0 CEAERP [NH3+]C[C@H]1CCCCC[C@@H]1[N@H+](CCO)Cc1ccccc1 ZINC000050514173 527229993 /nfs/dbraw/zinc/22/99/93/527229993.db2.gz KNDDSWOBPQUEHE-SJORKVTESA-N 2 0 276.424 2.389 10 0 CEAERP CCC[NH+]1CCN(c2ccc(F)cc2C[C@H](C)[NH3+])CC1 ZINC000111489741 534932787 /nfs/dbraw/zinc/93/27/87/534932787.db2.gz PKSXVFFPAMRAOP-ZDUSSCGKSA-N 2 0 279.403 2.247 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2C(N)=[NH2+])CC1 ZINC000093408909 535566648 /nfs/dbraw/zinc/56/66/48/535566648.db2.gz QPPXVQYOJVVUNI-LLVKDONJSA-N 2 0 278.375 2.030 10 0 CEAERP CC[NH+]1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C(C)C)O2 ZINC000757138140 574510134 /nfs/dbraw/zinc/51/01/34/574510134.db2.gz AZSHLCZXPKYTIU-CYBMUJFWSA-N 2 0 254.418 2.469 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757147692 574510544 /nfs/dbraw/zinc/51/05/44/574510544.db2.gz SPVWPNZCHVDLDM-CQSZACIVSA-N 2 0 252.402 2.223 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757148409 574510589 /nfs/dbraw/zinc/51/05/89/574510589.db2.gz UKTKXFVSQMKBGG-NSHDSACASA-N 2 0 262.344 2.078 10 0 CEAERP C[C@@]1(CNC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309714615 625281579 /nfs/dbraw/zinc/28/15/79/625281579.db2.gz KHGUPRLPGWPTBJ-SFHVURJKSA-N 3 0 287.451 2.240 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434171 628893698 /nfs/dbraw/zinc/89/36/98/628893698.db2.gz UYASRTZGLQPLDW-IAGOWNOFSA-N 2 0 279.472 2.277 10 0 CEAERP CN(C)C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccccc1 ZINC000054240195 630696418 /nfs/dbraw/zinc/69/64/18/630696418.db2.gz OGAGSIMUIVIIJO-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP COc1ccc(CC[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000082729014 178245635 /nfs/dbraw/zinc/24/56/35/178245635.db2.gz SLLCPWRBUJZBEK-WBVHZDCISA-N 2 0 274.408 2.312 10 0 CEAERP CC(C)CC[N@H+](CCCC[C@](C)([NH3+])CO)C1CC1 ZINC000096837014 185116434 /nfs/dbraw/zinc/11/64/34/185116434.db2.gz RAEXPTXXODPXLC-HNNXBMFYSA-N 2 0 256.434 2.377 10 0 CEAERP CCC1(C)CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264610 539212816 /nfs/dbraw/zinc/21/28/16/539212816.db2.gz YDPXNNSDDFMCBN-ZIAGYGMSSA-N 2 0 266.429 2.395 10 0 CEAERP [NH3+]CCCC[NH+]1CCN(c2nsc3ccccc32)CC1 ZINC000039025110 343435352 /nfs/dbraw/zinc/43/53/52/343435352.db2.gz UOEYTEJMUSPCGZ-UHFFFAOYSA-N 2 0 290.436 2.157 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000070576762 343793765 /nfs/dbraw/zinc/79/37/65/343793765.db2.gz JBOZRQSRCAQTKV-HOTGVXAUSA-N 2 0 295.471 2.083 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000142040699 344402073 /nfs/dbraw/zinc/40/20/73/344402073.db2.gz JPGPCGOYZUKYND-ZDUSSCGKSA-N 2 0 261.413 2.232 10 0 CEAERP CC1(C[NH3+])CC[NH+](CCOCCc2ccccc2)CC1 ZINC000148821034 344414397 /nfs/dbraw/zinc/41/43/97/344414397.db2.gz OOFIRUIKIGDRDL-UHFFFAOYSA-N 2 0 276.424 2.307 10 0 CEAERP CC1CCC(O)(C[N@H+](C)C[C@H]2CCc3nccn3C2)CC1 ZINC000328651944 344757884 /nfs/dbraw/zinc/75/78/84/344757884.db2.gz WESQSRQFLNTEKE-ISXOHVOVSA-N 2 0 291.439 2.319 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000054306791 362525061 /nfs/dbraw/zinc/52/50/61/362525061.db2.gz UEDWYXPARCRNDG-CYBMUJFWSA-N 2 0 275.396 2.076 10 0 CEAERP C[C@H]1C[C@H](C)CC(C[NH3+])(N(C)CC[NH+]2CCCC2)C1 ZINC000084470449 178893177 /nfs/dbraw/zinc/89/31/77/178893177.db2.gz QSGJXPJIBBMQEJ-GJZGRUSLSA-N 2 0 267.461 2.168 10 0 CEAERP OCCCCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403795 179053326 /nfs/dbraw/zinc/05/33/26/179053326.db2.gz DZVTVTGDJHSCSB-INIZCTEOSA-N 2 0 268.445 2.393 10 0 CEAERP CC(C)c1nc2c(n1C[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085572220 179097054 /nfs/dbraw/zinc/09/70/54/179097054.db2.gz JZTPQFBIPFDIGG-AWEZNQCLSA-N 2 0 290.455 2.384 10 0 CEAERP CC(C)Cc1nc2c(n1[C@H]1CC[N@@H+](C3CC3)C1)CC[NH2+]C2 ZINC000085573010 179098855 /nfs/dbraw/zinc/09/88/55/179098855.db2.gz JDIUZGVKAHOBJJ-AWEZNQCLSA-N 2 0 288.439 2.137 10 0 CEAERP C[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618885 179104191 /nfs/dbraw/zinc/10/41/91/179104191.db2.gz APFZFYCHXYRLII-SZMVWBNQSA-N 2 0 288.435 2.461 10 0 CEAERP COCCC[N@@H+]1CCC[NH2+][C@H](C2CCCCC2)C1 ZINC000085614944 179104305 /nfs/dbraw/zinc/10/43/05/179104305.db2.gz KPXPYKINBYAWOO-HNNXBMFYSA-N 2 0 254.418 2.267 10 0 CEAERP C[C@@H]([NH3+])Cc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000111493823 136562217 /nfs/dbraw/zinc/56/22/17/136562217.db2.gz PGTVLXUKPUUQGF-CYBMUJFWSA-N 2 0 261.413 2.107 10 0 CEAERP CC[C@H](C)[C@@H]1CN(CCCC[N@H+](C)C(C)C)CC[NH2+]1 ZINC000086146725 179238962 /nfs/dbraw/zinc/23/89/62/179238962.db2.gz SCSPVQFDTUHOGS-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1C1CC[NH+](C)CC1 ZINC000086217819 179249496 /nfs/dbraw/zinc/24/94/96/179249496.db2.gz BBRCYLOKEJDMRF-CQSZACIVSA-N 2 0 265.445 2.077 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCC[NH+](C)C ZINC000086217784 179249982 /nfs/dbraw/zinc/24/99/82/179249982.db2.gz IWDZIDORVNWPAD-HUUCEWRRSA-N 2 0 269.477 2.283 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@@H](C(C)(C)C)CN1CCC[NH+](C)C ZINC000086217783 179249987 /nfs/dbraw/zinc/24/99/87/179249987.db2.gz IWDZIDORVNWPAD-LSDHHAIUSA-N 2 0 269.477 2.283 10 0 CEAERP C[C@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223917 179253615 /nfs/dbraw/zinc/25/36/15/179253615.db2.gz HHVHQNLXXCHFDZ-UAGQMJEPSA-N 2 0 273.424 2.116 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C2CC2)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086260740 179260221 /nfs/dbraw/zinc/26/02/21/179260221.db2.gz BLMSOODKICCGGJ-PVAVHDDUSA-N 2 0 279.472 2.179 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CCC[NH2+]C(CC)(CC)C2)C1 ZINC000086288687 179264679 /nfs/dbraw/zinc/26/46/79/179264679.db2.gz NDQOSCBQIUQGNL-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H](C)CC[NH+](C)C ZINC000086255934 179257285 /nfs/dbraw/zinc/25/72/85/179257285.db2.gz IINGHYHBOCIPOV-ARFHVFGLSA-N 2 0 269.477 2.425 10 0 CEAERP CC[C@H]1C[NH2+][C@@](C)(C2CC2)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259588 179257566 /nfs/dbraw/zinc/25/75/66/179257566.db2.gz OVCHMINBZTYZQS-USXIJHARSA-N 2 0 277.456 2.076 10 0 CEAERP CC[C@H](C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000086292986 179266370 /nfs/dbraw/zinc/26/63/70/179266370.db2.gz VFWWJQAFVIRVKE-YESZJQIVSA-N 2 0 281.488 2.427 10 0 CEAERP C[NH+](C)CCCCN1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086293253 179266408 /nfs/dbraw/zinc/26/64/08/179266408.db2.gz LTEJUAMXSZPOCN-GOSISDBHSA-N 2 0 289.467 2.235 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086291643 179266874 /nfs/dbraw/zinc/26/68/74/179266874.db2.gz RBZCDXYNYRMDLJ-MRXNPFEDSA-N 2 0 279.472 2.469 10 0 CEAERP CC[C@H](COC)[N@@H+]1CCC[NH2+]C2(CCCCC2)C1 ZINC000086299461 179268608 /nfs/dbraw/zinc/26/86/08/179268608.db2.gz XWUHYDYUBWPOEQ-CQSZACIVSA-N 2 0 254.418 2.410 10 0 CEAERP CC[NH2+][C@H]1CCCc2sc(N3CC[C@H]([NH+](C)C)C3)nc21 ZINC000086444077 179293864 /nfs/dbraw/zinc/29/38/64/179293864.db2.gz YEGVHOSSEHQTKN-RYUDHWBXSA-N 2 0 294.468 2.270 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC1=[NH+]C[C@@H](C)CS1 ZINC000086633009 179315388 /nfs/dbraw/zinc/31/53/88/179315388.db2.gz DLBIOTHSNVKTBH-VXGBXAGGSA-N 2 0 257.447 2.291 10 0 CEAERP CN(CC1CCCCC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819416 179348734 /nfs/dbraw/zinc/34/87/34/179348734.db2.gz GOTUPURUQXSCFY-MRXNPFEDSA-N 2 0 267.461 2.312 10 0 CEAERP CC(C)[C@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+]1CCCC1 ZINC000086817426 179344397 /nfs/dbraw/zinc/34/43/97/179344397.db2.gz ZFFULUFZEJUXAG-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CCC(CC)[C@H](CN[C@@H]1CCC[N@H+](C)CC1)[NH+](C)C ZINC000086817434 179344838 /nfs/dbraw/zinc/34/48/38/179344838.db2.gz AAABTIGNWLUIFL-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP COc1ccc(CC[NH2+][C@H]2CCC[N@H+](C)CC2)cc1OC ZINC000086817033 179345089 /nfs/dbraw/zinc/34/50/89/179345089.db2.gz IXKSDWGYBIIEKY-HNNXBMFYSA-N 2 0 292.423 2.320 10 0 CEAERP CC[NH+](CC)CCN[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086835485 179349598 /nfs/dbraw/zinc/34/95/98/179349598.db2.gz OVEGNHHFHORFPF-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)[C@@H]2CCSC2)CC1 ZINC000086846928 179356262 /nfs/dbraw/zinc/35/62/62/179356262.db2.gz OBIRRJKEIGMQQY-HUUCEWRRSA-N 2 0 285.501 2.017 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)CC1 ZINC000086839670 179352130 /nfs/dbraw/zinc/35/21/30/179352130.db2.gz LAJIWKIICCAJBZ-XHSDSOJGSA-N 2 0 276.428 2.441 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000086836542 179352148 /nfs/dbraw/zinc/35/21/48/179352148.db2.gz NVHPRNGJWNTICZ-LSDHHAIUSA-N 2 0 290.407 2.290 10 0 CEAERP CCN(C1CC1)[C@]1(C[NH3+])CCC[N@@H+](C(C)C)CC1 ZINC000086846671 179354962 /nfs/dbraw/zinc/35/49/62/179354962.db2.gz HBODUIODBUVGEF-OAHLLOKOSA-N 2 0 253.434 2.063 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850885 179358567 /nfs/dbraw/zinc/35/85/67/179358567.db2.gz SRDMNQJYRFUSJW-HUUCEWRRSA-N 2 0 253.434 2.063 10 0 CEAERP CC(C)[C@H]1CCC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CC1 ZINC000086950407 179368899 /nfs/dbraw/zinc/36/88/99/179368899.db2.gz DMDVTWTUACRDFH-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP COCC[N@H+](C)[C@]1(C[NH3+])CCC[C@H](C(C)C)CC1 ZINC000086948468 179369094 /nfs/dbraw/zinc/36/90/94/179369094.db2.gz SZRQJYUIYNYQNP-LSDHHAIUSA-N 2 0 256.434 2.498 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CC2(O)CCCC2)CC1 ZINC000087016007 179379804 /nfs/dbraw/zinc/37/98/04/179379804.db2.gz KFWNTBJVVWHORT-AWEZNQCLSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](CCC[C@H]2CCCO2)CC1 ZINC000087245193 179404616 /nfs/dbraw/zinc/40/46/16/179404616.db2.gz IMIAPYMYIKQJGE-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC[N@H+](C)CCN1CCCC1 ZINC000088290956 179575645 /nfs/dbraw/zinc/57/56/45/179575645.db2.gz NYMZZMQAUMZUSW-HNNXBMFYSA-N 2 0 255.450 2.025 10 0 CEAERP C[C@H](Nc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000400718507 233181446 /nfs/dbraw/zinc/18/14/46/233181446.db2.gz NWABMOPULYJADO-KBPBESRZSA-N 2 0 277.412 2.037 10 0 CEAERP Cc1cc(F)ccc1CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400335272 233176935 /nfs/dbraw/zinc/17/69/35/233176935.db2.gz DARCQEMPPFRNIQ-JSGCOSHPSA-N 2 0 250.361 2.264 10 0 CEAERP CC(C)[NH2+]CC1(CN2CC[NH+](C)CC2)CCC(C)CC1 ZINC000089579433 179823338 /nfs/dbraw/zinc/82/33/38/179823338.db2.gz AOAZWCJUGJGUFF-UHFFFAOYSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@@H+]1CCCCC[C@@H]1C ZINC000090567054 180006311 /nfs/dbraw/zinc/00/63/11/180006311.db2.gz OJZVDNZRZJSVCK-SOUVJXGZSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH2+]CC(C1CC1)C1CC1 ZINC000090567256 180006589 /nfs/dbraw/zinc/00/65/89/180006589.db2.gz SJYIHHKVLPGNBV-GOEBONIOSA-N 2 0 266.429 2.027 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)CC1CCCC1 ZINC000090566970 180006847 /nfs/dbraw/zinc/00/68/47/180006847.db2.gz RLHKTGRDCJXBLK-LSDHHAIUSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](CC1CC1)C(C)C ZINC000090566558 180006911 /nfs/dbraw/zinc/00/69/11/180006911.db2.gz XOYCGEQBOMTKML-HUUCEWRRSA-N 2 0 254.418 2.121 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693304 180025414 /nfs/dbraw/zinc/02/54/14/180025414.db2.gz IPCVQWFEAZRORJ-CABCVRRESA-N 2 0 289.423 2.478 10 0 CEAERP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000090773160 180037698 /nfs/dbraw/zinc/03/76/98/180037698.db2.gz JPPGLVQJZLPJQS-JKSUJKDBSA-N 2 0 297.487 2.343 10 0 CEAERP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000090776269 180038962 /nfs/dbraw/zinc/03/89/62/180038962.db2.gz NSTIURZKSSVUQP-IPYPFGDCSA-N 2 0 256.434 2.103 10 0 CEAERP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1C[C@@H]1Cc2cc(F)ccc2O1 ZINC000090893497 180055524 /nfs/dbraw/zinc/05/55/24/180055524.db2.gz YWUIXLVSZBVLQA-XUJVJEKNSA-N 2 0 278.371 2.188 10 0 CEAERP Cc1ccc2c(c1)C[C@@H](C[NH+]1CCC([C@@H](C)[NH3+])CC1)O2 ZINC000090896665 180056636 /nfs/dbraw/zinc/05/66/36/180056636.db2.gz BWDPBAUHJCOAIN-CJNGLKHVSA-N 2 0 274.408 2.358 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090907838 180061969 /nfs/dbraw/zinc/06/19/69/180061969.db2.gz KPTHDGZFXOQQRA-GASCZTMLSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958534 180074589 /nfs/dbraw/zinc/07/45/89/180074589.db2.gz BRXJHBDWVLYALA-NWDGAFQWSA-N 2 0 282.457 2.079 10 0 CEAERP [NH3+]CCc1nc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000090958786 180074901 /nfs/dbraw/zinc/07/49/01/180074901.db2.gz XXGSOTDCFHJJLM-AAEUAGOBSA-N 2 0 265.426 2.409 10 0 CEAERP CC[C@H](CC[NH3+])N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090975965 180078686 /nfs/dbraw/zinc/07/86/86/180078686.db2.gz UGLSHYSQJFXMSM-DLBZAZTESA-N 2 0 287.451 2.071 10 0 CEAERP c1ccc2c(c1)C[C@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000090976395 180078809 /nfs/dbraw/zinc/07/88/09/180078809.db2.gz SIIOSUBEOMLPPH-ZFWWWQNUSA-N 2 0 256.393 2.400 10 0 CEAERP CC(C)C[NH2+]Cc1cccn1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000091001806 180083211 /nfs/dbraw/zinc/08/32/11/180083211.db2.gz FSCOAWHMZRNZPT-KRWDZBQOSA-N 2 0 293.455 2.343 10 0 CEAERP CCN(CC)C(=O)C[C@@H](C[NH3+])N(CC)Cc1cccs1 ZINC000091322768 180134473 /nfs/dbraw/zinc/13/44/73/180134473.db2.gz OOJCQUQOBKNRBI-ZDUSSCGKSA-N 2 0 297.468 2.156 10 0 CEAERP CC(C)n1cncc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000091273016 180118132 /nfs/dbraw/zinc/11/81/32/180118132.db2.gz MFSHYKGSRSPSEU-GFCCVEGCSA-N 2 0 250.390 2.023 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091430275 180152878 /nfs/dbraw/zinc/15/28/78/180152878.db2.gz VOCWLNMPUYETAT-QGZVFWFLSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CCC[C@H]([NH+](C)C)C2)s1 ZINC000091430339 180153147 /nfs/dbraw/zinc/15/31/47/180153147.db2.gz ZTKVDYXYZVWKLI-NEPJUHHUSA-N 2 0 282.457 2.344 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091428489 180153216 /nfs/dbraw/zinc/15/32/16/180153216.db2.gz GPZMBJXAXREVGR-CABCVRRESA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]CC[C@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091467972 180164378 /nfs/dbraw/zinc/16/43/78/180164378.db2.gz FQIGHIILSXUQNU-CVEARBPZSA-N 2 0 262.397 2.013 10 0 CEAERP CO[C@@H]1CCC[C@H]([NH+]2CCC(C[NH3+])(SC)CC2)C1 ZINC000091474099 180165158 /nfs/dbraw/zinc/16/51/58/180165158.db2.gz ATWXCAMMMSELRL-QWHCGFSZSA-N 2 0 272.458 2.100 10 0 CEAERP CC(C)C[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000091502887 180175201 /nfs/dbraw/zinc/17/52/01/180175201.db2.gz FRZQLRHBESJHID-IAGOWNOFSA-N 2 0 276.424 2.260 10 0 CEAERP Cc1ccc(C)c([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091392563 180144769 /nfs/dbraw/zinc/14/47/69/180144769.db2.gz WWYXJVZUIGXCRE-DOTOQJQBSA-N 2 0 275.440 2.329 10 0 CEAERP C[NH+](C)[C@H]1CCCN([C@@H](C[NH3+])c2ccccc2Cl)C1 ZINC000091393043 180145758 /nfs/dbraw/zinc/14/57/58/180145758.db2.gz GDJOHWBNDGUNGK-WFASDCNBSA-N 2 0 281.831 2.366 10 0 CEAERP C[C@H]([NH3+])CCC[C@H](C)C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091394836 180146425 /nfs/dbraw/zinc/14/64/25/180146425.db2.gz FKKDTVOEFVEYEA-KKUMJFAQSA-N 2 0 255.450 2.166 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091395700 180146532 /nfs/dbraw/zinc/14/65/32/180146532.db2.gz BSUVEDHXXJRDJV-OFQRWUPVSA-N 2 0 279.428 2.392 10 0 CEAERP C[C@H]([NH3+])C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000091403172 180146927 /nfs/dbraw/zinc/14/69/27/180146927.db2.gz QFRJSTHRCSTDQN-AWEZNQCLSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[N@@H+]1CCCC[C@@H]1CO ZINC000091404115 180146959 /nfs/dbraw/zinc/14/69/59/180146959.db2.gz ILSHPMVDBJAWGD-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[N@H+](C)C(C)(C)C1 ZINC000091405124 180147138 /nfs/dbraw/zinc/14/71/38/180147138.db2.gz XRYFYIPTMIHTTM-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000091404976 180147174 /nfs/dbraw/zinc/14/71/74/180147174.db2.gz ZEVZTGCCKAFVSA-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)(C)[NH2+]CC[C@@](C)(O)[C@@H]1[NH2+]Cc2ccccc21 ZINC000091523056 180177990 /nfs/dbraw/zinc/17/79/90/180177990.db2.gz UHPRTQNJHIEBEO-GDBMZVCRSA-N 2 0 262.397 2.360 10 0 CEAERP COc1ccc(CC[C@H]([NH3+])C(C)(C)[NH+](C)C)cc1 ZINC000091528378 180180048 /nfs/dbraw/zinc/18/00/48/180180048.db2.gz IKXQRJDACAOORM-AWEZNQCLSA-N 2 0 250.386 2.295 10 0 CEAERP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccccc2C[NH+]2CCCC2)C1 ZINC000091548157 180187453 /nfs/dbraw/zinc/18/74/53/180187453.db2.gz PPDDNKFXALDJLH-ZFWWWQNUSA-N 2 0 287.407 2.348 10 0 CEAERP C[NH2+][C@@H](CC[C@@H]1CCCO1)C1([NH+](C)C)CCCC1 ZINC000091637655 180212341 /nfs/dbraw/zinc/21/23/41/180212341.db2.gz UVPMWZLEDWHDOQ-KBPBESRZSA-N 2 0 254.418 2.408 10 0 CEAERP CCn1cc(C[C@H]([NH2+]C)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640907 180213321 /nfs/dbraw/zinc/21/33/21/180213321.db2.gz MMTKHFVHSAEKCE-INIZCTEOSA-N 2 0 290.455 2.442 10 0 CEAERP CCC[NH2+][C@@H](CC[NH+](CC)CC)Cc1ncnn1CCC ZINC000091716982 180232811 /nfs/dbraw/zinc/23/28/11/180232811.db2.gz OGLAHCAVEUGACW-HNNXBMFYSA-N 2 0 295.475 2.331 10 0 CEAERP CCC[N@H+]([C@@H]1CCN(C2CC2)C1)C1CCC([NH3+])CC1 ZINC000091851659 180272647 /nfs/dbraw/zinc/27/26/47/180272647.db2.gz RMPQWPDYNQBLSO-AVVWSFFYSA-N 2 0 265.445 2.205 10 0 CEAERP CCC[N@H+](Cc1cc(CC)nn1C)C1CCC([NH3+])CC1 ZINC000091852358 180272799 /nfs/dbraw/zinc/27/27/99/180272799.db2.gz MRWWIXQJYKESKO-UHFFFAOYSA-N 2 0 278.444 2.464 10 0 CEAERP CCC[N@H+](Cc1cc(C)on1)C1CCC([NH3+])CC1 ZINC000091852350 180273049 /nfs/dbraw/zinc/27/30/49/180273049.db2.gz GPRVOCHSMZURRN-UHFFFAOYSA-N 2 0 251.374 2.465 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)C1CCC2(CC1)OCCO2 ZINC000091850019 180271755 /nfs/dbraw/zinc/27/17/55/180271755.db2.gz IWKWJGKQEFHAEK-UHFFFAOYSA-N 2 0 282.428 2.264 10 0 CEAERP CC[N@H+]([C@@H](C)C(=O)NC1CCCC1)C1CCC([NH3+])CC1 ZINC000091850754 180271821 /nfs/dbraw/zinc/27/18/21/180271821.db2.gz RDKDHBWMFVABMS-OPFPJEHXSA-N 2 0 281.444 2.026 10 0 CEAERP CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCC([NH3+])CC1 ZINC000091850810 180271906 /nfs/dbraw/zinc/27/19/06/180271906.db2.gz WUOWHLZHKXNBCR-UHFFFAOYSA-N 2 0 290.367 2.421 10 0 CEAERP CC[N@H+]([C@@H](C)c1cn(C)nc1C)C1CCC([NH3+])CC1 ZINC000091849972 180272061 /nfs/dbraw/zinc/27/20/61/180272061.db2.gz GYHBBLBUUXKOGU-HSBZDZAISA-N 2 0 264.417 2.381 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2ccccc2F)CC1 ZINC000091870669 180277049 /nfs/dbraw/zinc/27/70/49/180277049.db2.gz FGAZPEMDHNXZCL-UHFFFAOYSA-N 2 0 293.386 2.227 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000091871065 180277137 /nfs/dbraw/zinc/27/71/37/180277137.db2.gz VGJADCQBQJUJFI-UHFFFAOYSA-N 2 0 290.407 2.420 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccoc2C(=O)OC)CC1 ZINC000091873214 180277997 /nfs/dbraw/zinc/27/79/97/180277997.db2.gz YMGKMOXPRGNHSM-UHFFFAOYSA-N 2 0 280.368 2.029 10 0 CEAERP CCC1CCC(C[NH3+])([C@](C)(O)[C@H]2CCC[NH2+]C2)CC1 ZINC000091908082 180284614 /nfs/dbraw/zinc/28/46/14/180284614.db2.gz NGOBBRKYTXKSHV-PWUWZPNHSA-N 2 0 268.445 2.282 10 0 CEAERP CCC[NH2+][C@H](C)c1cccn1C[C@@H]1C[N@H+](CC)CCO1 ZINC000092060276 180315611 /nfs/dbraw/zinc/31/56/11/180315611.db2.gz RNMVYLOUGRTVKI-CABCVRRESA-N 2 0 279.428 2.269 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092002294 180304331 /nfs/dbraw/zinc/30/43/31/180304331.db2.gz KAUHLLXTUGZEJE-CVEARBPZSA-N 2 0 273.424 2.469 10 0 CEAERP CC[NH2+]Cc1ccoc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003600 180304698 /nfs/dbraw/zinc/30/46/98/180304698.db2.gz DIQHOENCTBRCST-CABCVRRESA-N 2 0 277.412 2.058 10 0 CEAERP CC(C)[NH2+]Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000092004688 180305412 /nfs/dbraw/zinc/30/54/12/180305412.db2.gz GLAWIYYWDINYQW-OLZOCXBDSA-N 2 0 294.468 2.314 10 0 CEAERP C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000092133787 180331528 /nfs/dbraw/zinc/33/15/28/180331528.db2.gz COPLESNWAYQHKS-ZDUSSCGKSA-N 2 0 275.396 2.076 10 0 CEAERP C[NH2+]Cc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000092089196 180321766 /nfs/dbraw/zinc/32/17/66/180321766.db2.gz GLXZSNMSQHBPTI-KBPBESRZSA-N 2 0 262.397 2.373 10 0 CEAERP C[C@H]1C[N@H+](CCCC[C@@](C)(CO)[NH2+]C2CC2)C[C@H]1C ZINC000092090247 180322001 /nfs/dbraw/zinc/32/20/01/180322001.db2.gz LIZJKKWUEPUACU-LZWOXQAQSA-N 2 0 268.445 2.248 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298042 180358381 /nfs/dbraw/zinc/35/83/81/180358381.db2.gz PCVQHDXONHKQLE-OCCSQVGLSA-N 2 0 260.381 2.222 10 0 CEAERP c1ccc2c(c1)OC[C@H]2C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000092299775 180358613 /nfs/dbraw/zinc/35/86/13/180358613.db2.gz UGXTXCKWZFAFGA-UONOGXRCSA-N 2 0 272.392 2.237 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298039 180358806 /nfs/dbraw/zinc/35/88/06/180358806.db2.gz PCVQHDXONHKQLE-JSGCOSHPSA-N 2 0 260.381 2.222 10 0 CEAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccn2)C1 ZINC000092417250 180381246 /nfs/dbraw/zinc/38/12/46/180381246.db2.gz SZMNDTYONGUVSI-NSHDSACASA-N 2 0 253.777 2.296 10 0 CEAERP CCNc1cc[nH+]c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092419140 180382114 /nfs/dbraw/zinc/38/21/14/180382114.db2.gz QLVKJZKHJKRQDQ-INIZCTEOSA-N 2 0 274.412 2.184 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092621691 180415658 /nfs/dbraw/zinc/41/56/58/180415658.db2.gz VDDPMNBVSAYIQE-IHRRRGAJSA-N 2 0 281.469 2.471 10 0 CEAERP CC[NH2+][C@H](C)[C@@H](C)c1nc(CC[NH+](CC)CC)no1 ZINC000109496292 186256985 /nfs/dbraw/zinc/25/69/85/186256985.db2.gz VEMBHGHCXWWDBP-VXGBXAGGSA-N 2 0 268.405 2.055 10 0 CEAERP CCC[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000109411490 186251709 /nfs/dbraw/zinc/25/17/09/186251709.db2.gz XZRKPYHJHCRDAT-INIZCTEOSA-N 2 0 289.423 2.021 10 0 CEAERP CC[C@H](C[NH3+])N1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000109460238 186254497 /nfs/dbraw/zinc/25/44/97/186254497.db2.gz JBRAKUHTIQDKKT-QGZVFWFLSA-N 2 0 275.440 2.158 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](CCC(C)(C)C)CC1 ZINC000109463548 186254520 /nfs/dbraw/zinc/25/45/20/186254520.db2.gz ZKGVFBPINOXULO-CQSZACIVSA-N 2 0 255.450 2.168 10 0 CEAERP CCCCCC[NH+]1CCN([C@@H](C[NH3+])CCC)CC1 ZINC000110444269 186296039 /nfs/dbraw/zinc/29/60/39/186296039.db2.gz DSCSUSLEZNDDGO-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000110977989 186338823 /nfs/dbraw/zinc/33/88/23/186338823.db2.gz GUUHTZRBHAHQJL-HNNXBMFYSA-N 2 0 279.403 2.160 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(Cl)s2)C[C@@H]1C ZINC000110702652 186313967 /nfs/dbraw/zinc/31/39/67/186313967.db2.gz UEPDFQZJLDYOKJ-QWRGUYRKSA-N 2 0 287.860 2.427 10 0 CEAERP C[C@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110711875 186315409 /nfs/dbraw/zinc/31/54/09/186315409.db2.gz VEFYOWMIGCXNSZ-MELADBBJSA-N 2 0 291.439 2.429 10 0 CEAERP CCOc1ccccc1[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110712177 186315530 /nfs/dbraw/zinc/31/55/30/186315530.db2.gz DINTYFNMNTXXKE-HNNXBMFYSA-N 2 0 291.439 2.111 10 0 CEAERP CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1N1CC[N@H+](C)C(C)(C)C1 ZINC000110716909 186315668 /nfs/dbraw/zinc/31/56/68/186315668.db2.gz WWRUKEHXXASRDA-KFWWJZLASA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(F)cc2C)CC[N@@H+]1C ZINC000110710130 186315708 /nfs/dbraw/zinc/31/57/08/186315708.db2.gz GQQZLPQTRJLBBA-HOCLYGCPSA-N 2 0 279.403 2.160 10 0 CEAERP CC[C@H]1CN(C2(C[NH3+])CCCCCC2)CC[N@@H+]1C ZINC000110711112 186315910 /nfs/dbraw/zinc/31/59/10/186315910.db2.gz ORTNDBMAUBUWHQ-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@@H+]1CCN([C@@H]2CCCCCC[C@@H]2[NH2+]C)C[C@@H]1C ZINC000110715030 186315980 /nfs/dbraw/zinc/31/59/80/186315980.db2.gz AHXLYFKFXMLSKL-HRCADAONSA-N 2 0 267.461 2.323 10 0 CEAERP CC[N@@H+]1CCN(CC(C)(C)C[NH2+]C(C)(C)C)C[C@@H]1C ZINC000110745841 186318848 /nfs/dbraw/zinc/31/88/48/186318848.db2.gz OAQCFLHVDAFXCH-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1C[N@H+](Cc2oc3ccccc3c2C[NH3+])CCN1C ZINC000110753645 186319950 /nfs/dbraw/zinc/31/99/50/186319950.db2.gz FIRIMXMLZMTBAS-ZDUSSCGKSA-N 2 0 287.407 2.418 10 0 CEAERP CC[C@@H]1CN(c2nc(C)c(C[NH2+]C(C)C)s2)CC[N@@H+]1C ZINC000110760267 186323507 /nfs/dbraw/zinc/32/35/07/186323507.db2.gz OJUMBEKOLHVIIP-CYBMUJFWSA-N 2 0 296.484 2.480 10 0 CEAERP CN(CC1CC[NH+](C)CC1)[C@@H](C[NH3+])c1cccc(F)c1F ZINC000111040084 186346856 /nfs/dbraw/zinc/34/68/56/186346856.db2.gz HPMGBFOMUFKOKC-HNNXBMFYSA-N 2 0 297.393 2.238 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000111150379 186360817 /nfs/dbraw/zinc/36/08/17/186360817.db2.gz HQLJGWJWZKTCSQ-KRWDZBQOSA-N 2 0 275.440 2.363 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1Cl)N(C)CC[NH+](C)C ZINC000111129946 186356089 /nfs/dbraw/zinc/35/60/89/186356089.db2.gz IFFKVGGDCKFPPW-BXUZGUMPSA-N 2 0 269.820 2.222 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111130738 186356375 /nfs/dbraw/zinc/35/63/75/186356375.db2.gz IMIKGTDZUGNIJY-ZBFHGGJFSA-N 2 0 263.429 2.267 10 0 CEAERP CCc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133659 186356555 /nfs/dbraw/zinc/35/65/55/186356555.db2.gz INGDZRHCVGLBDH-INIZCTEOSA-N 2 0 263.429 2.132 10 0 CEAERP CC[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccc(OC)cc1 ZINC000111136202 186357647 /nfs/dbraw/zinc/35/76/47/186357647.db2.gz MNLIFRFNXFTGRQ-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000111149527 186359511 /nfs/dbraw/zinc/35/95/11/186359511.db2.gz MRMXQWCJCOSBQH-UHFFFAOYSA-N 2 0 277.456 2.426 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000111149721 186360129 /nfs/dbraw/zinc/36/01/29/186360129.db2.gz BGKMUELGZFYOJC-LBPRGKRZSA-N 2 0 278.400 2.122 10 0 CEAERP C[NH2+][C@@H]1CCCC[C@@H]1C[N@H+](C)CC1CCOCC1 ZINC000111172684 186365458 /nfs/dbraw/zinc/36/54/58/186365458.db2.gz MZIXGOHHNFXBMX-HUUCEWRRSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+]C[C@@]1(C[N@H+](CC)C2CC2)CCCOC1 ZINC000111324693 186398652 /nfs/dbraw/zinc/39/86/52/186398652.db2.gz YBGBPYUQCPBCIR-OAHLLOKOSA-N 2 0 254.418 2.267 10 0 CEAERP C[N@H+](CC1CCCCC1)C[C@]1(C[NH3+])CCCOC1 ZINC000111328409 186399771 /nfs/dbraw/zinc/39/97/71/186399771.db2.gz IFZONKTXDZPONO-OAHLLOKOSA-N 2 0 254.418 2.254 10 0 CEAERP CCOCC[N@H+](CC)C[C@]1(C[NH2+]C(C)C)CCCOC1 ZINC000111329799 186399870 /nfs/dbraw/zinc/39/98/70/186399870.db2.gz RGYBHAQDVCXBMX-MRXNPFEDSA-N 2 0 286.460 2.140 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111266848 186383162 /nfs/dbraw/zinc/38/31/62/186383162.db2.gz RUCCXQQZFGYBTP-DZGCQCFKSA-N 2 0 289.423 2.322 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NC(=O)C(C)(C)[C@@H]1CCC[NH2+]C1 ZINC000120114338 186876598 /nfs/dbraw/zinc/87/65/98/186876598.db2.gz HRIVIISIILETGY-HUUCEWRRSA-N 2 0 295.471 2.003 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359326 368795207 /nfs/dbraw/zinc/79/52/07/368795207.db2.gz ONDQYKAYBCKONV-OAHLLOKOSA-N 2 0 295.471 2.228 10 0 CEAERP Cc1cccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000231670935 189814588 /nfs/dbraw/zinc/81/45/88/189814588.db2.gz PHDNPKCOUDSLOW-HNNXBMFYSA-N 2 0 262.397 2.448 10 0 CEAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000234802343 370542687 /nfs/dbraw/zinc/54/26/87/370542687.db2.gz BQJISDNNIPVCLM-JQWIXIFHSA-N 2 0 272.339 2.369 10 0 CEAERP CCc1nccn1[C@H]1CCCN([C@H](CC)C(=O)OC)C1 ZINC000247147804 371071361 /nfs/dbraw/zinc/07/13/61/371071361.db2.gz LIEZLJZVTJGDOA-QWHCGFSZSA-N 2 0 279.384 2.034 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000261577495 371659300 /nfs/dbraw/zinc/65/93/00/371659300.db2.gz CSXBJPXBXXOOPT-SGMGOOAPSA-N 2 0 264.344 2.003 10 0 CEAERP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000261925468 371773229 /nfs/dbraw/zinc/77/32/29/371773229.db2.gz CBKAFCSPQMYMTL-RDJZCZTQSA-N 2 0 289.467 2.424 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]12 ZINC000261986723 371789346 /nfs/dbraw/zinc/78/93/46/371789346.db2.gz RYGFGUBYGZFCND-DDTOSNHZSA-N 2 0 288.420 2.307 10 0 CEAERP C[C@H]1CN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1[NH3+] ZINC000262075172 371817121 /nfs/dbraw/zinc/81/71/21/371817121.db2.gz SLBZZSRPVCAXLC-SMDDNHRTSA-N 2 0 260.381 2.179 10 0 CEAERP c1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000211319082 541861306 /nfs/dbraw/zinc/86/13/06/541861306.db2.gz PZUVWJAGDCOMED-ZWKOTPCHSA-N 2 0 286.419 2.476 10 0 CEAERP CCOc1cc(C[NH2+][C@@H]2CCN(CC)C2)ccc1OC ZINC000389482611 375303552 /nfs/dbraw/zinc/30/35/52/375303552.db2.gz XRSJXVCMWCSPGJ-CQSZACIVSA-N 2 0 278.396 2.278 10 0 CEAERP C[NH2+][C@H](C)c1cccc(NC(=O)NCCCC[NH+](C)C)c1 ZINC000041685382 184552895 /nfs/dbraw/zinc/55/28/95/184552895.db2.gz IEDXEZHWRHHDOV-CYBMUJFWSA-N 2 0 292.427 2.430 10 0 CEAERP CCC[NH2+][C@@H]1[C@H](N(C)CCC[NH+](C)C)CCC1(C)C ZINC000094306252 184778524 /nfs/dbraw/zinc/77/85/24/184778524.db2.gz YDXQHNYBVRNOFZ-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@@H]2CCC(C)(C)[C@H]2O)CC1 ZINC000094319609 184780126 /nfs/dbraw/zinc/78/01/26/184780126.db2.gz LGGYPCMLMPLJOA-GJZGRUSLSA-N 2 0 268.445 2.057 10 0 CEAERP CC[NH2+][C@H](C)c1ccnc(OCC[NH+](CC)CC)c1 ZINC000095001666 184913262 /nfs/dbraw/zinc/91/32/62/184913262.db2.gz DXEJXZXZLYLNKK-CYBMUJFWSA-N 2 0 265.401 2.473 10 0 CEAERP CCC[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000087535126 135050211 /nfs/dbraw/zinc/05/02/11/135050211.db2.gz SHVNOBHSQLFRQL-OAHLLOKOSA-N 2 0 261.413 2.184 10 0 CEAERP COc1ccccc1N1CC[NH+](CCC(C)(C)C[NH3+])CC1 ZINC000087590418 135050707 /nfs/dbraw/zinc/05/07/07/135050707.db2.gz RXIOEPCMOKOTFP-UHFFFAOYSA-N 2 0 291.439 2.192 10 0 CEAERP CC[NH2+]Cc1nc(N2CCC[C@H]([NH+](C)C)C2)ccc1Cl ZINC000091433203 135069945 /nfs/dbraw/zinc/06/99/45/135069945.db2.gz FNLPPNJVXPZROT-LBPRGKRZSA-N 2 0 296.846 2.375 10 0 CEAERP [NH3+][C@@H]1C=C[C@@H](C[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000092208944 135076145 /nfs/dbraw/zinc/07/61/45/135076145.db2.gz NKBXZUWZFNLXHU-ZIAGYGMSSA-N 2 0 291.826 2.365 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H]3CC[C@@H]([NH3+])C3)CC2)c1C ZINC000093224234 135079647 /nfs/dbraw/zinc/07/96/47/135079647.db2.gz JMBCICRXPPEABH-CVEARBPZSA-N 2 0 273.424 2.305 10 0 CEAERP Cc1cccc(N2CC[NH+]([C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000093220981 135079881 /nfs/dbraw/zinc/07/98/81/135079881.db2.gz IMJFYFAXFCNYBI-RDJZCZTQSA-N 2 0 273.424 2.387 10 0 CEAERP [NH3+]C1(CC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000094295805 135085925 /nfs/dbraw/zinc/08/59/25/135085925.db2.gz VNMDKEAJRQFONM-UHFFFAOYSA-N 2 0 259.397 2.080 10 0 CEAERP c1cc(C[NH2+]C2CC2)cc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1 ZINC000094443194 135088560 /nfs/dbraw/zinc/08/85/60/135088560.db2.gz MGAITAJUOSEVFC-MRXNPFEDSA-N 2 0 286.423 2.008 10 0 CEAERP [NH3+]CCc1cc(F)ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094444563 135088645 /nfs/dbraw/zinc/08/86/45/135088645.db2.gz JZXWQSRFXRVISB-OAHLLOKOSA-N 2 0 277.387 2.001 10 0 CEAERP CCC[NH2+]Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccn1 ZINC000094443225 135088999 /nfs/dbraw/zinc/08/89/99/135088999.db2.gz ODUYECYTAMTAGF-QGZVFWFLSA-N 2 0 288.439 2.256 10 0 CEAERP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000381143299 395172900 /nfs/dbraw/zinc/17/29/00/395172900.db2.gz KAPLKHCSBTUSRI-UAGQMJEPSA-N 2 0 274.408 2.351 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@H]3CCC4(CCCC4)O3)C[C@H]12 ZINC000389155996 400537179 /nfs/dbraw/zinc/53/71/79/400537179.db2.gz YAIFTVRPCIQIOW-APIJFGDWSA-N 2 0 264.413 2.147 10 0 CEAERP CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000651199292 401294030 /nfs/dbraw/zinc/29/40/30/401294030.db2.gz XDNJHLRICXBWKY-KBPBESRZSA-N 2 0 256.434 2.248 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000261561859 286391088 /nfs/dbraw/zinc/39/10/88/286391088.db2.gz GCBDUZIRPHEOIE-XDQVBPFNSA-N 2 0 254.418 2.297 10 0 CEAERP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000263206520 154034015 /nfs/dbraw/zinc/03/40/15/154034015.db2.gz JTRDUXJBYOTWIA-SLBVQIDZSA-N 2 0 294.826 2.146 10 0 CEAERP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000165833628 162348415 /nfs/dbraw/zinc/34/84/15/162348415.db2.gz UNNGOGCYXHREHH-CABCVRRESA-N 2 0 283.460 2.132 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)c1 ZINC000020179471 171043965 /nfs/dbraw/zinc/04/39/65/171043965.db2.gz HXSMEPPIXYFEEN-KRWDZBQOSA-N 2 0 273.424 2.022 10 0 CEAERP [NH3+]C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CC2CC2)CC1 ZINC000020179644 171044431 /nfs/dbraw/zinc/04/44/31/171044431.db2.gz ATSGVSWOTMHBIJ-INIZCTEOSA-N 2 0 293.842 2.367 10 0 CEAERP CCCCNC(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365669 171164214 /nfs/dbraw/zinc/16/42/14/171164214.db2.gz OYKMCASZGZDPPA-CABCVRRESA-N 2 0 285.476 2.391 10 0 CEAERP CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC000020365666 171164250 /nfs/dbraw/zinc/16/42/50/171164250.db2.gz OYKMCASZGZDPPA-LSDHHAIUSA-N 2 0 285.476 2.391 10 0 CEAERP Cc1cccc(C)c1OC[C@H](CC[NH3+])[NH+]1CCCC1 ZINC000020402069 171182557 /nfs/dbraw/zinc/18/25/57/171182557.db2.gz RPKDTFHQGRTRAI-HNNXBMFYSA-N 2 0 262.397 2.495 10 0 CEAERP CCCCCC[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000020520581 171233868 /nfs/dbraw/zinc/23/38/68/171233868.db2.gz XBEMWWPWRFWXLS-HNNXBMFYSA-N 2 0 255.450 2.310 10 0 CEAERP CC[NH+]1CCN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000022212565 171373798 /nfs/dbraw/zinc/37/37/98/171373798.db2.gz HCHKIVOIDISRLJ-SFHVURJKSA-N 2 0 283.419 2.477 10 0 CEAERP CC[NH+]1CCN([C@H](C[NH3+])c2cccc3ccccc32)CC1 ZINC000022211934 171373809 /nfs/dbraw/zinc/37/38/09/171373809.db2.gz HGWIGLDSULHJGE-GOSISDBHSA-N 2 0 283.419 2.477 10 0 CEAERP CC[NH+]1CCN(C[C@@H]([NH3+])c2c(C)cc(C)cc2C)CC1 ZINC000022563149 171391022 /nfs/dbraw/zinc/39/10/22/171391022.db2.gz SZPKXUQPWWJACG-MRXNPFEDSA-N 2 0 275.440 2.249 10 0 CEAERP CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000037166611 173000090 /nfs/dbraw/zinc/00/00/90/173000090.db2.gz NHAVWXSVWFWNMZ-GDBMZVCRSA-N 2 0 269.477 2.283 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCCO2)CC1 ZINC000037210343 173032626 /nfs/dbraw/zinc/03/26/26/173032626.db2.gz CLQWFPUXCGFQAV-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@@H]1CC[C@@H](C[NH3+])[C@H]([NH+]2CCC(OC)CC2)C1 ZINC000037265705 173075161 /nfs/dbraw/zinc/07/51/61/173075161.db2.gz NIASVWZGWCIHGT-VNHYZAJKSA-N 2 0 254.418 2.251 10 0 CEAERP [NH3+]C[C@@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693651 174377517 /nfs/dbraw/zinc/37/75/17/174377517.db2.gz KPCPHLOJFRURCN-RDJZCZTQSA-N 2 0 279.472 2.454 10 0 CEAERP [NH3+][C@@H]1CCCC[C@@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000040693921 174377740 /nfs/dbraw/zinc/37/77/40/174377740.db2.gz FQGRPJADKMWKSF-CVEARBPZSA-N 2 0 265.445 2.207 10 0 CEAERP CCC[N@H+](C1CCN(C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747618 174392889 /nfs/dbraw/zinc/39/28/89/174392889.db2.gz CMNIXTFAVUZKNM-MZBDJJRSSA-N 2 0 265.445 2.076 10 0 CEAERP C[C@H]([NH3+])c1ccc(NC(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000041709863 174612374 /nfs/dbraw/zinc/61/23/74/174612374.db2.gz XCSKUKKCKXTFAV-LBPRGKRZSA-N 2 0 292.427 2.416 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccsc2)CC1 ZINC000042615851 174829037 /nfs/dbraw/zinc/82/90/37/174829037.db2.gz PPJNULUBPALYFC-CQSZACIVSA-N 2 0 267.442 2.164 10 0 CEAERP CC[NH+]1CCC(N(C)[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000042615829 174829503 /nfs/dbraw/zinc/82/95/03/174829503.db2.gz CSWMZVXFLRYAIT-QGZVFWFLSA-N 2 0 291.439 2.111 10 0 CEAERP Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)C2CC[NH+](C)CC2)s1 ZINC000043239160 174988419 /nfs/dbraw/zinc/98/84/19/174988419.db2.gz DDFQLQPIHMLLBY-IUODEOHRSA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccco1)N(C)C1CC[NH+](C)CC1 ZINC000043334454 175010673 /nfs/dbraw/zinc/01/06/73/175010673.db2.gz JZPXRGMXFKWWLM-DZGCQCFKSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@@H]([NH3+])[C@H](N(C)C1CC[NH+](CC)CC1)C(F)(F)F ZINC000043379167 175030854 /nfs/dbraw/zinc/03/08/54/175030854.db2.gz OBYPDYUHPFSFSU-NEPJUHHUSA-N 2 0 281.366 2.071 10 0 CEAERP CCC[NH+]1CCN([C@@H]2C[C@@H](CC)CC[C@@H]2[NH2+]C)CC1 ZINC000043805282 175107421 /nfs/dbraw/zinc/10/74/21/175107421.db2.gz VZQDHQGKIMGKNC-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H]1CCC[C@H]1N1CCC([NH+]2CCCCC2)CC1 ZINC000043907816 175123197 /nfs/dbraw/zinc/12/31/97/175123197.db2.gz WGRWUSXWUZIWMA-IAGOWNOFSA-N 2 0 279.472 2.467 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC000043967923 175129199 /nfs/dbraw/zinc/12/91/99/175129199.db2.gz IBAXENSUNUWAQC-HNNXBMFYSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH+](C)CC1CCN(C(=O)C2(C[NH3+])CCCCCC2)CC1 ZINC000044763949 175247973 /nfs/dbraw/zinc/24/79/73/175247973.db2.gz VLJRAEMHNIQYKJ-UHFFFAOYSA-N 2 0 295.471 2.086 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044804536 175255967 /nfs/dbraw/zinc/25/59/67/175255967.db2.gz ZXRUTGDJSRUZLZ-UHFFFAOYSA-N 2 0 297.487 2.474 10 0 CEAERP CC[NH2+][C@H](C)c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045113995 175310945 /nfs/dbraw/zinc/31/09/45/175310945.db2.gz JBFZYUFFIMZWJM-QWHCGFSZSA-N 2 0 292.427 2.429 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](Cn2c(N)[nH+]c3ccccc32)C1 ZINC000045136011 175313446 /nfs/dbraw/zinc/31/34/46/175313446.db2.gz GTLQLWMJHCREHR-LBPRGKRZSA-N 2 0 258.369 2.349 10 0 CEAERP C[C@](CCC[NH+]1CCCCCCC1)([NH2+]C1CC1)C(N)=O ZINC000045371668 175364311 /nfs/dbraw/zinc/36/43/11/175364311.db2.gz LAMKUGGTNVLWQN-MRXNPFEDSA-N 2 0 281.444 2.029 10 0 CEAERP CCCC[N@H+](CC)CCC[C@](C)([NH2+]CCC)C(N)=O ZINC000045370733 175364567 /nfs/dbraw/zinc/36/45/67/175364567.db2.gz ACAYFXADVJXAEZ-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[NH+]1CCCCCC1)C(N)=O ZINC000045377467 175366897 /nfs/dbraw/zinc/36/68/97/175366897.db2.gz UNJXLSFYBHTYKX-INIZCTEOSA-N 2 0 283.460 2.276 10 0 CEAERP CCC[NH2+][C@](C)(CCC[N@H+](CCC)C(C)C)C(N)=O ZINC000045386051 175371928 /nfs/dbraw/zinc/37/19/28/175371928.db2.gz WBENEIXGQISQQD-OAHLLOKOSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[N@H+](CCCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CC1 ZINC000045387506 175372645 /nfs/dbraw/zinc/37/26/45/175372645.db2.gz GQOHNLJCUFKUAT-MRXNPFEDSA-N 2 0 281.444 2.027 10 0 CEAERP C[NH2+][C@](C)(CCCC[N@H+](C)C1CCCCCC1)C(N)=O ZINC000045419141 175377313 /nfs/dbraw/zinc/37/73/13/175377313.db2.gz KUCVXRYRWJLMHS-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N(C)CCC[NH+](C)C)C1 ZINC000071124984 176034883 /nfs/dbraw/zinc/03/48/83/176034883.db2.gz MEXUIRHKVXDQSD-CABCVRRESA-N 2 0 255.450 2.168 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071124900 176035102 /nfs/dbraw/zinc/03/51/02/176035102.db2.gz VPJWFKMYOKBSKO-ARFHVFGLSA-N 2 0 267.461 2.168 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCCc2ccccc21 ZINC000071148511 176043976 /nfs/dbraw/zinc/04/39/76/176043976.db2.gz VREZZTGXKPUFJZ-GOSISDBHSA-N 2 0 287.451 2.291 10 0 CEAERP CC[C@H]1CCCC[C@@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000071162185 176046525 /nfs/dbraw/zinc/04/65/25/176046525.db2.gz DHQFBXYTKKXONO-BBWFWOEESA-N 2 0 279.472 2.454 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@H](C)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071188717 176063347 /nfs/dbraw/zinc/06/33/47/176063347.db2.gz DSIPWUJWJTTXJP-UXLLHSPISA-N 2 0 275.440 2.267 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188687 176063527 /nfs/dbraw/zinc/06/35/27/176063527.db2.gz QMWPGRRIVZPOFM-OIISXLGYSA-N 2 0 275.440 2.349 10 0 CEAERP Cc1cc(C)c([C@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188776 176063588 /nfs/dbraw/zinc/06/35/88/176063588.db2.gz QOCNCRCPMFSOKJ-IAGOWNOFSA-N 2 0 289.467 2.495 10 0 CEAERP CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188869 176063704 /nfs/dbraw/zinc/06/37/04/176063704.db2.gz PXVQIFMVLGKBSH-RBSFLKMASA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188811 176063707 /nfs/dbraw/zinc/06/37/07/176063707.db2.gz ARHSWVWFUOWJPD-OLMNPRSZSA-N 2 0 287.451 2.145 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189000 176064853 /nfs/dbraw/zinc/06/48/53/176064853.db2.gz JZKBBHAOMRZYLG-OAGGEKHMSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071191517 176069355 /nfs/dbraw/zinc/06/93/55/176069355.db2.gz HTBPSPQNHAPPDA-HNNXBMFYSA-N 2 0 269.477 2.142 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191308 176069461 /nfs/dbraw/zinc/06/94/61/176069461.db2.gz SGKOAYISVMIRBV-OWCLPIDISA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)C2)o1 ZINC000071191964 176071858 /nfs/dbraw/zinc/07/18/58/176071858.db2.gz JTYCSHNGTBXSOO-OAHLLOKOSA-N 2 0 293.455 2.409 10 0 CEAERP CCC(C)(C)[NH2+]C[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071192303 176073075 /nfs/dbraw/zinc/07/30/75/176073075.db2.gz LSKJNJQDNNYHMO-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071268053 176101457 /nfs/dbraw/zinc/10/14/57/176101457.db2.gz HUCUOTRHZDOYPW-AWEZNQCLSA-N 2 0 292.402 2.026 10 0 CEAERP CC[NH2+]CCCCCC[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071290061 176110617 /nfs/dbraw/zinc/11/06/17/176110617.db2.gz IHXUWZLIHZAWBM-OAHLLOKOSA-N 3 0 255.450 2.040 10 0 CEAERP Cc1ccc(N)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000071383855 176147141 /nfs/dbraw/zinc/14/71/41/176147141.db2.gz GIEQLZGXGOLDFJ-UHFFFAOYSA-N 2 0 261.413 2.351 10 0 CEAERP [NH3+][C@H]1CCC[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000071613649 176233239 /nfs/dbraw/zinc/23/32/39/176233239.db2.gz OLPLSJBZHSPNJI-IRXDYDNUSA-N 2 0 273.424 2.074 10 0 CEAERP COc1cc(C)c(C)cc1[C@H](CC[NH3+])C[NH+](C)C ZINC000076655167 177045165 /nfs/dbraw/zinc/04/51/65/177045165.db2.gz JSCCFQOEFXVHNN-CYBMUJFWSA-N 2 0 250.386 2.306 10 0 CEAERP CC[NH+](CC)C[C@H](C)NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079278332 177461773 /nfs/dbraw/zinc/46/17/73/177461773.db2.gz RRJRJXLESDDFAW-GJZGRUSLSA-N 2 0 285.476 2.234 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[C@H](CC[NH3+])C(C)C)C1 ZINC000079278700 177462576 /nfs/dbraw/zinc/46/25/76/177462576.db2.gz KRWQAIVPJUDBCX-HZPDHXFCSA-N 2 0 297.487 2.330 10 0 CEAERP CCC(CC)[N@H+](CCOC)C[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079537879 177518107 /nfs/dbraw/zinc/51/81/07/177518107.db2.gz GXFDKQFTZOXCES-VRKREXBASA-N 2 0 268.445 2.497 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc2ccccc12 ZINC000666743897 419414005 /nfs/dbraw/zinc/41/40/05/419414005.db2.gz LRQQTASULZFOGG-WFASDCNBSA-N 2 0 255.365 2.452 10 0 CEAERP CC(C)[C@@H]([NH3+])CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000136335835 419443699 /nfs/dbraw/zinc/44/36/99/419443699.db2.gz GDSSVSDLSOSCDJ-AWEZNQCLSA-N 2 0 263.385 2.060 10 0 CEAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C1 ZINC000390555419 262216880 /nfs/dbraw/zinc/21/68/80/262216880.db2.gz LFUUICPNYHESCS-DLBZAZTESA-N 2 0 287.451 2.239 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000261565018 274858793 /nfs/dbraw/zinc/85/87/93/274858793.db2.gz XZKXFFBYRAKKLD-MNOVXSKESA-N 2 0 251.761 2.089 10 0 CEAERP c1cnc2c(c1)cccc2C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261825553 275073720 /nfs/dbraw/zinc/07/37/20/275073720.db2.gz UGJXFFFITSEQBI-ZBFHGGJFSA-N 2 0 267.376 2.276 10 0 CEAERP C1CC[NH2+]CCCCC[NH2+]CCCCC[NH2+]CC1 ZINC000075568212 277759247 /nfs/dbraw/zinc/75/92/47/277759247.db2.gz UXDLNFWYWUKNOQ-UHFFFAOYSA-N 3 0 255.450 2.280 10 0 CEAERP C[C@@H](C[NH2+]CC1CCOCC1)C[NH+]1CCCCC1 ZINC000052178608 278282961 /nfs/dbraw/zinc/28/29/61/278282961.db2.gz SWWURJFXLKGWHG-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP Cc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])cc[nH+]1 ZINC000162933450 278717273 /nfs/dbraw/zinc/71/72/73/278717273.db2.gz UDIGBEIKZBAVSJ-INIZCTEOSA-N 2 0 253.349 2.453 10 0 CEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262281926 289259348 /nfs/dbraw/zinc/25/93/48/289259348.db2.gz LGKIHRQXPNLRIY-ILXRZTDVSA-N 2 0 295.471 2.131 10 0 CEAERP Cc1cccnc1CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000566088897 313848762 /nfs/dbraw/zinc/84/87/62/313848762.db2.gz JSIOXWFWBBWNNB-GJZGRUSLSA-N 2 0 261.413 2.300 10 0 CEAERP [NH3+]C1CCC([NH2+]Cc2ccn(Cc3ccccc3)n2)CC1 ZINC000389949228 321893123 /nfs/dbraw/zinc/89/31/23/321893123.db2.gz WDXPUVHYUZIMGU-UHFFFAOYSA-N 2 0 284.407 2.291 10 0 CEAERP CC(C)CN(CC[NH+](C)C)Cc1cc(C[NH2+]C(C)C)no1 ZINC000052503340 519716823 /nfs/dbraw/zinc/71/68/23/519716823.db2.gz SRSUASDWPUHOHD-UHFFFAOYSA-N 2 0 296.459 2.192 10 0 CEAERP CC(C)[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763380 519719783 /nfs/dbraw/zinc/71/97/83/519719783.db2.gz UOKWBVQLTMDXIU-AWEZNQCLSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654407 519743451 /nfs/dbraw/zinc/74/34/51/519743451.db2.gz SZGWZYAZVDYOIJ-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000052507222 519745705 /nfs/dbraw/zinc/74/57/05/519745705.db2.gz NHLFIHIWZNPGCT-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)[C@@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479960 519794753 /nfs/dbraw/zinc/79/47/53/519794753.db2.gz AGHSKYGKXIOWOK-OAHLLOKOSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH2+]C(C)C)C(C)C)CC1 ZINC000052421698 519859801 /nfs/dbraw/zinc/85/98/01/519859801.db2.gz AAVKJZIINRTOFB-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572400 519913253 /nfs/dbraw/zinc/91/32/53/519913253.db2.gz QMFSYLSASGHAAN-CABCVRRESA-N 2 0 274.449 2.138 10 0 CEAERP CCCCC[N@H+](C)CCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000052454807 520149048 /nfs/dbraw/zinc/14/90/48/520149048.db2.gz GMKOLLXSCGPNRV-UHFFFAOYSA-N 2 0 281.448 2.288 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1C[N@H+](CC)CCO ZINC000054560042 520217042 /nfs/dbraw/zinc/21/70/42/520217042.db2.gz FRKYYOAGLCQNMX-OAGGEKHMSA-N 2 0 270.461 2.351 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](Cc2ccoc2C[NH3+])C1 ZINC000052371577 520272793 /nfs/dbraw/zinc/27/27/93/520272793.db2.gz AQPPEUATHFDVKL-CYBMUJFWSA-N 2 0 252.358 2.129 10 0 CEAERP CC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000052510636 521202169 /nfs/dbraw/zinc/20/21/69/521202169.db2.gz BYQUBRLEDCIZMP-LSDHHAIUSA-N 2 0 256.434 2.369 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C[NH3+])oc2C)CC1 ZINC000052484031 521655598 /nfs/dbraw/zinc/65/55/98/521655598.db2.gz YDZQHYLTRCBQNS-UHFFFAOYSA-N 2 0 252.358 2.048 10 0 CEAERP C[NH2+]CCC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052484226 521998460 /nfs/dbraw/zinc/99/84/60/521998460.db2.gz NUZFFTDXLSXLHZ-OAHLLOKOSA-N 3 0 267.461 2.325 10 0 CEAERP C[NH2+][C@@H](C)c1cnc(N2CC[NH+](CC(C)C)CC2)s1 ZINC000055076364 522338130 /nfs/dbraw/zinc/33/81/30/522338130.db2.gz HORLLSIXTVKUEQ-LBPRGKRZSA-N 2 0 282.457 2.202 10 0 CEAERP CC(C)(C)C1CC[NH+](C[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000052373629 518607861 /nfs/dbraw/zinc/60/78/61/518607861.db2.gz PBUDMUPTVJUQAJ-KGLIPLIRSA-N 2 0 254.418 2.251 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCCC2)O1 ZINC000052671057 518760257 /nfs/dbraw/zinc/76/02/57/518760257.db2.gz RUMCICDBXLFXQT-HOTGVXAUSA-N 2 0 298.471 2.425 10 0 CEAERP CC(C)(C)[NH2+]C[C@H]1CC[C@@H](COCC[NH+]2CCCC2)O1 ZINC000052670488 518762409 /nfs/dbraw/zinc/76/24/09/518762409.db2.gz UYALFMCSUZCYPT-CABCVRRESA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)[NH+](CCN1CC[C@H](C[NH2+]C2CC2)C1)C(C)C ZINC000053010839 519646381 /nfs/dbraw/zinc/64/63/81/519646381.db2.gz ZLTPFBRIABUFOR-OAHLLOKOSA-N 2 0 267.461 2.179 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N(C)CC2CC[NH+](C)CC2)nc1 ZINC000063122210 519726762 /nfs/dbraw/zinc/72/67/62/519726762.db2.gz UOOIKENJTLWEGZ-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000055076998 519727501 /nfs/dbraw/zinc/72/75/01/519727501.db2.gz ACBKGUKQYITYST-AWEZNQCLSA-N 2 0 267.442 2.022 10 0 CEAERP CC(C)C[NH+]1CCN(c2nc3c(s2)[C@@H]([NH3+])CCC3)CC1 ZINC000055076387 519728958 /nfs/dbraw/zinc/72/89/58/519728958.db2.gz VVCQFAFCLZXXEO-LBPRGKRZSA-N 2 0 294.468 2.257 10 0 CEAERP CC(C)C[NH+]1CCN(c2cccc(C[NH2+]C(C)C)n2)CC1 ZINC000055082606 519729175 /nfs/dbraw/zinc/72/91/75/519729175.db2.gz UYWGFBHNUZXWSP-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[NH2+]Cc1occc1C[N@H+](C)C1CCOCC1 ZINC000052481178 519730066 /nfs/dbraw/zinc/73/00/66/519730066.db2.gz RDMVILYWGLUVME-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000052570407 519743222 /nfs/dbraw/zinc/74/32/22/519743222.db2.gz GMOVGSJZEVYVDM-UHFFFAOYSA-N 2 0 266.433 2.268 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477881 519744040 /nfs/dbraw/zinc/74/40/40/519744040.db2.gz OMTLFZMTVYLQNZ-CQSZACIVSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477883 519744052 /nfs/dbraw/zinc/74/40/52/519744052.db2.gz OMTLFZMTVYLQNZ-AWEZNQCLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602420 519775169 /nfs/dbraw/zinc/77/51/69/519775169.db2.gz QEIWIUBBJOFTPB-UYTSQGDYSA-N 2 0 267.461 2.307 10 0 CEAERP CC(C)[C@H](C[NH+](C)C)NC1CC[NH+](C(C)C)CC1 ZINC000049195241 519814429 /nfs/dbraw/zinc/81/44/29/519814429.db2.gz GJZVHLXSOWQLBT-HNNXBMFYSA-N 2 0 255.450 2.035 10 0 CEAERP CCC[NH+]1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559446 519858504 /nfs/dbraw/zinc/85/85/04/519858504.db2.gz YNLMSIZZWMTLDD-ZACQAIPSSA-N 2 0 281.488 2.414 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cc(C)ccc2C)CC1 ZINC000049670366 519859395 /nfs/dbraw/zinc/85/93/95/519859395.db2.gz AZIGBJYTTVAYNJ-QGZVFWFLSA-N 2 0 275.440 2.331 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068810775 519859815 /nfs/dbraw/zinc/85/98/15/519859815.db2.gz WIVRCMWVKAYTCM-OAHLLOKOSA-N 2 0 287.407 2.460 10 0 CEAERP CCC[NH+]1CCN(c2nc(C)c(C[NH2+]CC)s2)CC1 ZINC000054968973 519860194 /nfs/dbraw/zinc/86/01/94/519860194.db2.gz CDETUJGYSTVZAI-UHFFFAOYSA-N 2 0 282.457 2.093 10 0 CEAERP CCCC1CC[NH+]([C@H]2CC3(CC[C@H]2[NH3+])OCCO3)CC1 ZINC000050893528 519903550 /nfs/dbraw/zinc/90/35/50/519903550.db2.gz PHPNMDIOODJXRH-CABCVRRESA-N 2 0 282.428 2.121 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000061298254 519905276 /nfs/dbraw/zinc/90/52/76/519905276.db2.gz XAGMNQQLIKSONB-XJKSGUPXSA-N 2 0 283.460 2.001 10 0 CEAERP CCC[NH2+]CCCCC[N@@H+]1CCC[C@H]1CN(C)C ZINC000061654651 519911583 /nfs/dbraw/zinc/91/15/83/519911583.db2.gz BHBDQGWRRLYXLS-HNNXBMFYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C[C@@H](C(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515151 519920230 /nfs/dbraw/zinc/92/02/30/519920230.db2.gz YXDLHZUBIPIZLB-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[NH+]2CCCCCC2)O1 ZINC000052382049 519938231 /nfs/dbraw/zinc/93/82/31/519938231.db2.gz ZIIPFHFHQOPGEL-CABCVRRESA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]Cc1ccccc1CN1CCC[N@H+](C)CC1 ZINC000052424410 519956026 /nfs/dbraw/zinc/95/60/26/519956026.db2.gz GAROPODCGBJEEM-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CCC[NH2+]Cc1nc(CN(CCC)CC[NH+](C)C)cs1 ZINC000052544091 519965879 /nfs/dbraw/zinc/96/58/79/519965879.db2.gz JFJRSTPMKIAQKQ-UHFFFAOYSA-N 2 0 298.500 2.416 10 0 CEAERP CC[NH2+]C[C@]1(C[N@H+](CC)CC2CC2)CCCOC1 ZINC000069262685 519983750 /nfs/dbraw/zinc/98/37/50/519983750.db2.gz XTVZIILEKPBVTC-HNNXBMFYSA-N 2 0 254.418 2.125 10 0 CEAERP CC[NH2+]Cc1ccccc1OCC[N@H+](C)[C@H](C)COC ZINC000052511620 520008714 /nfs/dbraw/zinc/00/87/14/520008714.db2.gz FUWCJYMPHRTOFR-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CC[NH2+]Cc1sc(N(C)C2CC[NH+](C)CC2)nc1C ZINC000054994892 520033490 /nfs/dbraw/zinc/03/34/90/520033490.db2.gz PXIPNJVIZABPNV-UHFFFAOYSA-N 2 0 282.457 2.091 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)C(C)(C)CC)C(N)=O ZINC000069446616 520034418 /nfs/dbraw/zinc/03/44/18/520034418.db2.gz SISPABZRIFOORS-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CC[NH2+][C@@H](C)c1cnc(CC[NH+](CC)CC)nc1C ZINC000054962986 520079783 /nfs/dbraw/zinc/07/97/83/520079783.db2.gz HMJKDZUTTCXONS-LBPRGKRZSA-N 2 0 264.417 2.340 10 0 CEAERP CCC[NH2+][C@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C1CC1 ZINC000069075479 520083385 /nfs/dbraw/zinc/08/33/85/520083385.db2.gz ILAMYECQLMDZDA-DLBZAZTESA-N 2 0 279.472 2.325 10 0 CEAERP CC[NH2+][C@H](C)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061643370 520172375 /nfs/dbraw/zinc/17/23/75/520172375.db2.gz HHRSXOMJTHLBRY-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](CC2(C[NH2+]CC)CCOCC2)C1 ZINC000052198031 520271445 /nfs/dbraw/zinc/27/14/45/520271445.db2.gz QEJZMFISRDKDTL-MRXNPFEDSA-N 2 0 298.471 2.284 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@H+](C)Cc1cccc(C)c1 ZINC000062740994 520515646 /nfs/dbraw/zinc/51/56/46/520515646.db2.gz QDOVQAZJBKWIMF-HNNXBMFYSA-N 2 0 250.386 2.181 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC000054458937 520632025 /nfs/dbraw/zinc/63/20/25/520632025.db2.gz LZTGIFRNGWJQAZ-CYBMUJFWSA-N 2 0 250.390 2.077 10 0 CEAERP CCC[C@@H](C)[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055075989 520667180 /nfs/dbraw/zinc/66/71/80/520667180.db2.gz BJDDWSLCICBJAI-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH+](CC)CCc1nccc(C[NH2+]C(C)(C)C)n1 ZINC000054792144 520714061 /nfs/dbraw/zinc/71/40/61/520714061.db2.gz FZZFPVFWFQXBSK-UHFFFAOYSA-N 2 0 264.417 2.249 10 0 CEAERP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC000052337236 520738079 /nfs/dbraw/zinc/73/80/79/520738079.db2.gz TXFDRHUXGADTHQ-UKRRQHHQSA-N 2 0 256.434 2.248 10 0 CEAERP CCCC[C@@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978586 521043361 /nfs/dbraw/zinc/04/33/61/521043361.db2.gz FHIUUULHHWXWDU-GJZGRUSLSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655158 521060792 /nfs/dbraw/zinc/06/07/92/521060792.db2.gz ZUEPIQNCQRGCLG-RRFJBIMHSA-N 2 0 255.450 2.179 10 0 CEAERP CCCC[C@@](CC)(C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000069380465 521121040 /nfs/dbraw/zinc/12/10/40/521121040.db2.gz FWFSYTHZWYJKJP-GJZGRUSLSA-N 2 0 274.449 2.267 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CCC[C@@H]1C[NH+](C)C ZINC000061643650 521155172 /nfs/dbraw/zinc/15/51/72/521155172.db2.gz DCUIFQVOCFOCJH-QLFBSQMISA-N 2 0 255.450 2.179 10 0 CEAERP CCC[C@](C)(C[NH2+]C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081680 521267603 /nfs/dbraw/zinc/26/76/03/521267603.db2.gz SSQYNDTVHDEOHO-MRXNPFEDSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023364 521567633 /nfs/dbraw/zinc/56/76/33/521567633.db2.gz BVZFRBIFNLGTHL-INIZCTEOSA-N 2 0 288.439 2.470 10 0 CEAERP CC[NH+]1CCC([C@@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000049574789 521583190 /nfs/dbraw/zinc/58/31/90/521583190.db2.gz HSYIOSWMEWPSPR-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000049553837 521584189 /nfs/dbraw/zinc/58/41/89/521584189.db2.gz YZZAHSGWWSZPAN-KGLIPLIRSA-N 3 0 255.450 2.037 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](CC)C[NH2+]C(C)(C)C ZINC000052544139 521657690 /nfs/dbraw/zinc/65/76/90/521657690.db2.gz FIPFDMQKKNPFCK-AWEZNQCLSA-N 2 0 257.466 2.427 10 0 CEAERP CCCN(CC[NH+](C)C)c1nc(CC)c(C[NH2+]C)s1 ZINC000055000597 521658738 /nfs/dbraw/zinc/65/87/38/521658738.db2.gz MOYQJMJHBMOFMA-UHFFFAOYSA-N 2 0 284.473 2.203 10 0 CEAERP CCC1(C(=O)NCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000062849761 521666697 /nfs/dbraw/zinc/66/66/97/521666697.db2.gz IGYMDFGJQIZYMD-UHFFFAOYSA-N 2 0 295.471 2.004 10 0 CEAERP CCC[N@H+](CCO)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH3+] ZINC000054560236 521667415 /nfs/dbraw/zinc/66/74/15/521667415.db2.gz DHMDYOQTUWDPNK-ILXRZTDVSA-N 2 0 256.434 2.090 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1Cc1occc1C[NH2+]C1CC1 ZINC000061654470 521872345 /nfs/dbraw/zinc/87/23/45/521872345.db2.gz QSYGRJXJIKCTON-OAHLLOKOSA-N 2 0 277.412 2.058 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000052203567 521930694 /nfs/dbraw/zinc/93/06/94/521930694.db2.gz UTTZUAUGQPSVLH-QGZVFWFLSA-N 2 0 275.440 2.275 10 0 CEAERP CC[C@@H](C)C[N@@H+]1CCCN(CCCCC[NH3+])CC1 ZINC000050424204 521988089 /nfs/dbraw/zinc/98/80/89/521988089.db2.gz PZCGROKCGXDOAC-OAHLLOKOSA-N 2 0 255.450 2.169 10 0 CEAERP C[NH2+]C[C@@H](c1ccccc1)N(CC[NH+](C)C)CC(C)C ZINC000052503409 522038298 /nfs/dbraw/zinc/03/82/98/522038298.db2.gz JJGWXLGXBOKDIT-KRWDZBQOSA-N 2 0 277.456 2.467 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2ccccc2C[NH2+]C)CC1 ZINC000055074016 522125536 /nfs/dbraw/zinc/12/55/36/522125536.db2.gz LOIQCRUULSPULW-OAHLLOKOSA-N 2 0 275.440 2.322 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2cc(C[NH2+]C)oc2C)CC1 ZINC000055074004 522126252 /nfs/dbraw/zinc/12/62/52/522126252.db2.gz NCGNDRQTEDVFDU-CYBMUJFWSA-N 2 0 279.428 2.224 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H]([C@@H](C)[NH3+])C(C)(C)C)CC1 ZINC000055063981 522129824 /nfs/dbraw/zinc/12/98/24/522129824.db2.gz ADYPYGYCJFHNGZ-MCIONIFRSA-N 2 0 255.450 2.164 10 0 CEAERP C[NH2+][C@@H](C)c1ccccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061644838 522337285 /nfs/dbraw/zinc/33/72/85/522337285.db2.gz SZSXTYOOSGDYFZ-UONOGXRCSA-N 2 0 261.413 2.497 10 0 CEAERP C[NH2+][C@H](CCN(C)CC[NH+]1CCCC1)c1ccccc1 ZINC000063053689 522459925 /nfs/dbraw/zinc/45/99/25/522459925.db2.gz ADEDAMMTWHEQDN-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP C[NH2+][C@H](CCN1CC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000062970022 522462421 /nfs/dbraw/zinc/46/24/21/522462421.db2.gz BBUJZMCCCVMJGD-JKSUJKDBSA-N 2 0 279.403 2.112 10 0 CEAERP C[NH2+][C@H]1CCCc2nc(N3CC[NH+](C(C)C)CC3)sc21 ZINC000054903683 522498814 /nfs/dbraw/zinc/49/88/14/522498814.db2.gz BYACNPYIGVREBW-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@@H](C[NH2+]C(C)(C)C)N(C)CC[NH+]1CCCC1 ZINC000063054189 522543955 /nfs/dbraw/zinc/54/39/55/522543955.db2.gz HCRFHMSFGCJLGP-AWEZNQCLSA-N 2 0 255.450 2.181 10 0 CEAERP COC1CC[NH+](CCC[NH2+]C2CCCCC2)CC1 ZINC000053499107 522703986 /nfs/dbraw/zinc/70/39/86/522703986.db2.gz YOHVIOWODJJOSG-UHFFFAOYSA-N 2 0 254.418 2.410 10 0 CEAERP COC1CC[NH+](C[C@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052455437 522704872 /nfs/dbraw/zinc/70/48/72/522704872.db2.gz FLOMHAIRHWRYTA-LSDHHAIUSA-N 2 0 284.444 2.033 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053244876 522929979 /nfs/dbraw/zinc/92/99/79/522929979.db2.gz BGLZFDWJUSCMGN-BRWVUGGUSA-N 2 0 275.440 2.491 10 0 CEAERP CC[C@](C)(C[NH2+]C1CC1)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970436 523464006 /nfs/dbraw/zinc/46/40/06/523464006.db2.gz CHTNROOWPALSJM-DLBZAZTESA-N 2 0 279.472 2.325 10 0 CEAERP COCC[N@H+](CCCCC[NH2+]CC(C)C)[C@@H](C)COC ZINC000052572421 523693232 /nfs/dbraw/zinc/69/32/32/523693232.db2.gz HDFHNVVPBKLYHT-INIZCTEOSA-N 2 0 288.476 2.386 10 0 CEAERP CC[C@@]1(C(=O)NCC[NH+](C(C)C)C(C)C)CCC[NH2+]C1 ZINC000062851915 523693336 /nfs/dbraw/zinc/69/33/36/523693336.db2.gz LOPGCKSJSLKSNS-MRXNPFEDSA-N 2 0 283.460 2.001 10 0 CEAERP COCC[N@H+](Cc1occc1C[NH2+]C1CC1)[C@@H](C)COC ZINC000052572320 523778115 /nfs/dbraw/zinc/77/81/15/523778115.db2.gz VYCLHAQTWVPFEB-ZDUSSCGKSA-N 2 0 296.411 2.015 10 0 CEAERP COc1ccc(C)cc1[C@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643495 523860725 /nfs/dbraw/zinc/86/07/25/523860725.db2.gz KVDPMCVKQVLNBL-GDBMZVCRSA-N 2 0 291.439 2.029 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])C2CCCCC2)CC1 ZINC000055064567 523959300 /nfs/dbraw/zinc/95/93/00/523959300.db2.gz FDNWQTFRSBTKRO-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP C[NH+](C)C1CC[NH+]([C@@H](CC(N)=S)c2ccccc2)CC1 ZINC000055024736 524040709 /nfs/dbraw/zinc/04/07/09/524040709.db2.gz QZPDQVNQCOHQCP-HNNXBMFYSA-N 2 0 291.464 2.430 10 0 CEAERP C[NH+](C)CC(C)(C)Cn1c(N)[nH+]c2ccc(F)cc21 ZINC000052122758 524046682 /nfs/dbraw/zinc/04/66/82/524046682.db2.gz YYYULDIDZYZFPB-UHFFFAOYSA-N 2 0 264.348 2.345 10 0 CEAERP C[C@H](CCC[NH2+]C(C)(C)C)[N@@H+]1CCCN(C)CC1 ZINC000052424316 524142537 /nfs/dbraw/zinc/14/25/37/524142537.db2.gz KRYUMYJUTCMONT-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP C[C@H]1CC[C@@H]([NH3+])C[C@@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000055125546 524362979 /nfs/dbraw/zinc/36/29/79/524362979.db2.gz IYYGACLSQZHPJF-JONQDZQNSA-N 2 0 295.471 2.131 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062973266 524477027 /nfs/dbraw/zinc/47/70/27/524477027.db2.gz OVOBMPNUIKTNRU-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](C[NH2+]Cc1cccs1)N1CCC[C@@H]1C[NH+](C)C ZINC000061655135 524744711 /nfs/dbraw/zinc/74/47/11/524744711.db2.gz VDYWRBMWVUOVPE-UONOGXRCSA-N 2 0 281.469 2.252 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N2CCC([NH+](C)C)CC2)cc1C ZINC000050596688 525179664 /nfs/dbraw/zinc/17/96/64/525179664.db2.gz GCXHSPRQARIRDH-MRXNPFEDSA-N 2 0 291.439 2.029 10 0 CEAERP COc1ccc([C@@H]([NH3+])[C@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684850 525192365 /nfs/dbraw/zinc/19/23/65/525192365.db2.gz KZIQVHNPNHNGDK-GUYCJALGSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CN1CCC[C@@H]1C[NH+](C)C ZINC000061643492 525365898 /nfs/dbraw/zinc/36/58/98/525365898.db2.gz IRQAVBJQASITFA-ZBFHGGJFSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1n[nH]cc1CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157433179 525499194 /nfs/dbraw/zinc/49/91/94/525499194.db2.gz XGSRJXVTLJCPBE-JKSUJKDBSA-N 2 0 270.380 2.385 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000062964737 526076622 /nfs/dbraw/zinc/07/66/22/526076622.db2.gz BQZFTDRSQZECOE-ZFWWWQNUSA-N 2 0 279.453 2.044 10 0 CEAERP Fc1ccc(N2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764228 526351951 /nfs/dbraw/zinc/35/19/51/526351951.db2.gz FMUXOWRVNJKCAB-INIZCTEOSA-N 2 0 291.414 2.480 10 0 CEAERP c1ccc(CN2CC[NH+](CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764566 526469967 /nfs/dbraw/zinc/46/99/67/526469967.db2.gz VJDIJHSDINMTNZ-SFHVURJKSA-N 2 0 287.451 2.336 10 0 CEAERP c1ccc2c(c1)C[NH+](C[C@H]1CC[C@H](C[NH2+]C3CC3)O1)C2 ZINC000052374525 526507242 /nfs/dbraw/zinc/50/72/42/526507242.db2.gz YFUKXRXESIJFJR-IAGOWNOFSA-N 2 0 272.392 2.302 10 0 CEAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400556708 527084363 /nfs/dbraw/zinc/08/43/63/527084363.db2.gz ZHWMOOBCFCQDTM-SLEUVZQESA-N 2 0 275.396 2.294 10 0 CEAERP [NH3+]CC1(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000052182006 527163881 /nfs/dbraw/zinc/16/38/81/527163881.db2.gz UUPHXTZMTDXDIJ-GJZGRUSLSA-N 2 0 266.429 2.397 10 0 CEAERP [NH3+]Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)o1 ZINC000052484206 527252692 /nfs/dbraw/zinc/25/26/92/527252692.db2.gz VRLLWUPBNURNEN-UHFFFAOYSA-N 2 0 277.412 2.189 10 0 CEAERP [NH3+]Cc1nc(CN2CCC([NH+]3CCCCC3)CC2)cs1 ZINC000052484212 527266366 /nfs/dbraw/zinc/26/63/66/527266366.db2.gz TVSYNOWYZZAANZ-UHFFFAOYSA-N 2 0 294.468 2.052 10 0 CEAERP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CC1(CC1)C1(CCC1)O2 ZINC000757138707 574510160 /nfs/dbraw/zinc/51/01/60/574510160.db2.gz DJHZODMSYSFTAL-HNNXBMFYSA-N 2 0 250.386 2.121 10 0 CEAERP CN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309796355 627873373 /nfs/dbraw/zinc/87/33/73/627873373.db2.gz QFMCGICHXBFKOW-YDZRNGNQSA-N 2 0 299.462 2.191 10 0 CEAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)c2ccccc21 ZINC000132142584 652498822 /nfs/dbraw/zinc/49/88/22/652498822.db2.gz INYBURPEDMFDLY-MWNCTCPHSA-N 2 0 260.381 2.272 10 0 CEAERP c1coc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000133567038 652665549 /nfs/dbraw/zinc/66/55/49/652665549.db2.gz NPRMFHVLQUQJMT-CABCVRRESA-N 2 0 277.412 2.148 10 0 CEAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C)c(O)c(C)c2)C1 ZINC000037644273 361916232 /nfs/dbraw/zinc/91/62/32/361916232.db2.gz YRSCMRMAAXCVQK-CQSZACIVSA-N 2 0 262.397 2.440 10 0 CEAERP Cc1[nH+]ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000261555201 282188700 /nfs/dbraw/zinc/18/87/00/282188700.db2.gz PLCRWJUZCZUVNX-HBNTYKKESA-N 2 0 251.761 2.217 10 0 CEAERP c1cc2c(cc1C[N@@H+]1CCO[C@@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000228244252 539325983 /nfs/dbraw/zinc/32/59/83/539325983.db2.gz PZUVWJAGDCOMED-QZTJIDSGSA-N 2 0 286.419 2.476 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052511774 522593957 /nfs/dbraw/zinc/59/39/57/522593957.db2.gz YZDUJBOXEWVZMG-ZDUSSCGKSA-N 2 0 268.401 2.492 10 0 CEAERP C[C@@H]1C[C@H](N2CCC[C@H]([NH3+])[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000307399202 344722359 /nfs/dbraw/zinc/72/23/59/344722359.db2.gz VUIBAYGKFDAQJI-LMSBXDPUSA-N 2 0 287.451 2.461 10 0 CEAERP Nc1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC000306499183 344713749 /nfs/dbraw/zinc/71/37/49/344713749.db2.gz IEGHSFWSPSCABE-UHFFFAOYSA-N 2 0 282.391 2.376 10 0 CEAERP COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC23CC[NH2+]CC3)cc1 ZINC000584620447 344966842 /nfs/dbraw/zinc/96/68/42/344966842.db2.gz NNCCLCDGPZVGEG-CZUORRHYSA-N 2 0 290.407 2.257 10 0 CEAERP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774820 344984806 /nfs/dbraw/zinc/98/48/06/344984806.db2.gz OWAXBTUGCHNNAW-OAGGEKHMSA-N 2 0 267.461 2.085 10 0 CEAERP C[C@@H](CNC(=O)CC1([NH3+])CCCCC1)C[NH+]1CCCCC1 ZINC000084182945 178817395 /nfs/dbraw/zinc/81/73/95/178817395.db2.gz JWWCQILGWWBIAU-HNNXBMFYSA-N 2 0 295.471 2.276 10 0 CEAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000085369561 179039322 /nfs/dbraw/zinc/03/93/22/179039322.db2.gz NNRNLJXMAIBOOS-HOTGVXAUSA-N 2 0 295.471 2.275 10 0 CEAERP CCOCC[N@H+](C)Cc1ccc([C@H](C)C[NH3+])cc1 ZINC000097806391 185670671 /nfs/dbraw/zinc/67/06/71/185670671.db2.gz PYBYVLJTAZXPIO-CYBMUJFWSA-N 2 0 250.386 2.217 10 0 CEAERP CC(C)(C)c1nc2c(n1[C@@H]1C[NH+]3CCC1CC3)CC[NH2+]C2 ZINC000085568708 179095666 /nfs/dbraw/zinc/09/56/66/179095666.db2.gz ZECBNUKSABAZQV-OAHLLOKOSA-N 2 0 288.439 2.093 10 0 CEAERP CC(C)Cc1nc2c(n1[C@@H](C)C[NH+]1CCCC1)CC[NH2+]C2 ZINC000085573496 179098132 /nfs/dbraw/zinc/09/81/32/179098132.db2.gz RDELARMNKDFMFO-AWEZNQCLSA-N 2 0 290.455 2.384 10 0 CEAERP c1csc(CC[N@@H+]2CCC[NH2+][C@H](C3CC3)C2)c1 ZINC000085616055 179103840 /nfs/dbraw/zinc/10/38/40/179103840.db2.gz HZSWGOTVNUTHDO-AWEZNQCLSA-N 2 0 250.411 2.365 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCCC2)C[N@@H+]1CCn1cccn1 ZINC000085621016 179106204 /nfs/dbraw/zinc/10/62/04/179106204.db2.gz NQXUJFQEJKPVOM-HNNXBMFYSA-N 2 0 276.428 2.270 10 0 CEAERP C[N@H+](CCCN[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000129153738 365830798 /nfs/dbraw/zinc/83/07/98/365830798.db2.gz XRUIJWWJIJXFSQ-HNNXBMFYSA-N 2 0 267.461 2.373 10 0 CEAERP C[NH+]1CCC(CN2CC[NH2+][C@H](C3CCCCC3)C2)CC1 ZINC000086145657 179237344 /nfs/dbraw/zinc/23/73/44/179237344.db2.gz WSMZGIVKZBRYPB-KRWDZBQOSA-N 2 0 279.472 2.182 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](C(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086171813 179242874 /nfs/dbraw/zinc/24/28/74/179242874.db2.gz RYZZYLFADAFVNL-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CC(C)[C@@H]1C[NH2+][C@H](C)CN1C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000086174197 179245698 /nfs/dbraw/zinc/24/56/98/179245698.db2.gz HNJPMEFIZDFMGB-OAGGEKHMSA-N 2 0 267.461 2.035 10 0 CEAERP CC(C)[C@H]1CNCC[N@@H+]1CCCC[NH+](C)C(C)C ZINC000086177633 179246390 /nfs/dbraw/zinc/24/63/90/179246390.db2.gz YWFLQNGWPNNEHX-OAHLLOKOSA-N 2 0 255.450 2.037 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182628 179248152 /nfs/dbraw/zinc/24/81/52/179248152.db2.gz ABONIMBPNWFISB-IAGOWNOFSA-N 2 0 291.483 2.467 10 0 CEAERP CC[C@H]1C[NH2+][C@](C)(CC)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223035 179250953 /nfs/dbraw/zinc/25/09/53/179250953.db2.gz OBNNTZZJWGASKE-OWCLPIDISA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H]1C[NH2+][C@@H](CC(C)C)CN1C[C@@H]1CC[N@H+](CC)C1 ZINC000086223065 179251228 /nfs/dbraw/zinc/25/12/28/179251228.db2.gz NFJAGYOXHOXUAL-IKGGRYGDSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223118 179251796 /nfs/dbraw/zinc/25/17/96/179251796.db2.gz WYGSVBKYWMXQJS-INMHGKMJSA-N 2 0 279.472 2.181 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223173 179252222 /nfs/dbraw/zinc/25/22/22/179252222.db2.gz JLGOWXVRPQLKJI-OAGGEKHMSA-N 2 0 267.461 2.037 10 0 CEAERP CCC[C@H]1CN([C@@H]2CCC[N@H+](C)C2)[C@H](C(C)C)C[NH2+]1 ZINC000086224017 179253064 /nfs/dbraw/zinc/25/30/64/179253064.db2.gz STHHSFNGKDIMEZ-XHSDSOJGSA-N 2 0 267.461 2.179 10 0 CEAERP C[C@@H]1C[NH2+][C@@H](c2ccccc2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182486 179247788 /nfs/dbraw/zinc/24/77/88/179247788.db2.gz VSARDBRBUXOYIJ-ZTFGCOKTSA-N 2 0 285.435 2.116 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259201 179257801 /nfs/dbraw/zinc/25/78/01/179257801.db2.gz YMFFJVNNIPVYDS-DJIMGWMZSA-N 2 0 279.472 2.181 10 0 CEAERP CC(C)C[C@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290465 179265452 /nfs/dbraw/zinc/26/54/52/179265452.db2.gz ZBUYEWVCXNMUCZ-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2C[C@H](C(C)(C)C)[NH2+]C[C@@H]2C)C1 ZINC000086260764 179259789 /nfs/dbraw/zinc/25/97/89/179259789.db2.gz PTRFYYLAMRKENI-ARFHVFGLSA-N 2 0 281.488 2.425 10 0 CEAERP CC[C@H]1CN[C@H](CC(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261126 179260360 /nfs/dbraw/zinc/26/03/60/179260360.db2.gz NFFLNLIJHADBFD-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)(C)[C@@H]1C[N@H+](CCc2cccnc2)CCC[NH2+]1 ZINC000086288738 179264488 /nfs/dbraw/zinc/26/44/88/179264488.db2.gz FPJLJEDRFVPGJN-HNNXBMFYSA-N 2 0 261.413 2.334 10 0 CEAERP CC[C@H]1CN[C@](C)(CC)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086259057 179257199 /nfs/dbraw/zinc/25/71/99/179257199.db2.gz LPIZUJNNCSGGQP-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@]1(C2CC2)C[N@H+](CCOC2CCCC2)CCC[NH2+]1 ZINC000086298004 179269097 /nfs/dbraw/zinc/26/90/97/179269097.db2.gz MMKDVQDNHRQOPD-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000086399731 179285024 /nfs/dbraw/zinc/28/50/24/179285024.db2.gz ROIKHTZIIOOGLB-RYUDHWBXSA-N 2 0 269.186 2.419 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH+]2CCc3c(N)cccc3C2)CC1 ZINC000086833498 179349169 /nfs/dbraw/zinc/34/91/69/179349169.db2.gz GOURPSFEBHINRV-CQSZACIVSA-N 2 0 259.397 2.111 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C[C@@H]2CCCCO2)CC1 ZINC000086847739 179356701 /nfs/dbraw/zinc/35/67/01/179356701.db2.gz DHHJCQPZRQAUNF-DLBZAZTESA-N 2 0 297.487 2.081 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCc2ccccn2)CC1 ZINC000086835416 179349936 /nfs/dbraw/zinc/34/99/36/179349936.db2.gz NWWBTAGKULXZGZ-MRXNPFEDSA-N 2 0 261.413 2.478 10 0 CEAERP CC(C)C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837768 179350829 /nfs/dbraw/zinc/35/08/29/179350829.db2.gz MPONQWBDSBPATF-HZPDHXFCSA-N 2 0 297.487 2.342 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836675 179351542 /nfs/dbraw/zinc/35/15/42/179351542.db2.gz FATGXWIQBZKBDJ-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH+](CC)C[C@H](C)N[C@H]1CCC[N@H+](CC)CC1 ZINC000086843786 179352882 /nfs/dbraw/zinc/35/28/82/179352882.db2.gz OIIMIDFXWWIXGB-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[N@@H+]1CCC[C@H](N[C@@H](C)CC[NH+](C)C)CC1 ZINC000086843055 179352918 /nfs/dbraw/zinc/35/29/18/179352918.db2.gz QZBHKDYKTZZWOA-GJZGRUSLSA-N 2 0 255.450 2.179 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC[C@@H]2CCC[NH+](C)C2)CC1 ZINC000086843385 179353042 /nfs/dbraw/zinc/35/30/42/179353042.db2.gz FQEYIOLFYOVQRI-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCCCn2ccnc2)CC1 ZINC000086843675 179353134 /nfs/dbraw/zinc/35/31/34/179353134.db2.gz RPRUEDGXKOCLKR-OAHLLOKOSA-N 2 0 264.417 2.127 10 0 CEAERP CCC[N@@H+]1CCC[C@@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846743 179354317 /nfs/dbraw/zinc/35/43/17/179354317.db2.gz JXYUUPBLNIZCQU-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845183 179354346 /nfs/dbraw/zinc/35/43/46/179354346.db2.gz YPNCPZMDDVRMJL-NSHDSACASA-N 2 0 268.323 2.029 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846736 179355057 /nfs/dbraw/zinc/35/50/57/179355057.db2.gz KGLLWVMXSNYLMD-INIZCTEOSA-N 2 0 267.461 2.453 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)CC1 ZINC000086850920 179358047 /nfs/dbraw/zinc/35/80/47/179358047.db2.gz TWOAXHZXWVXLHX-INIZCTEOSA-N 2 0 273.424 2.471 10 0 CEAERP CCC[N@@H+]1CCC[C@@]([NH2+]C2CCCCC2)(C(N)=O)CC1 ZINC000086849638 179358576 /nfs/dbraw/zinc/35/85/76/179358576.db2.gz HJMLZXVNHVQEJE-INIZCTEOSA-N 2 0 281.444 2.029 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2CC[NH3+])CC1 ZINC000086851154 179359015 /nfs/dbraw/zinc/35/90/15/179359015.db2.gz ZCIHTAGSNXAPNA-HZPDHXFCSA-N 2 0 267.461 2.453 10 0 CEAERP C[C@H]1CCC[C@@](C[NH3+])(N(C)C2CC[NH+](C)CC2)CC1 ZINC000086890427 179366308 /nfs/dbraw/zinc/36/63/08/179366308.db2.gz RTTCKBCRXJABBH-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000086916909 179367793 /nfs/dbraw/zinc/36/77/93/179367793.db2.gz FFWLJZRPBDTYAJ-PMPSAXMXSA-N 2 0 295.471 2.132 10 0 CEAERP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1CCCC(C)(C)CC1 ZINC000086917021 179368162 /nfs/dbraw/zinc/36/81/62/179368162.db2.gz NDEMGJBLMFCSHP-OAHLLOKOSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[C@@H]1CCC[C@@](CO)([N@@H+]2CCC[NH2+]CC2)CC1 ZINC000086952100 179368792 /nfs/dbraw/zinc/36/87/92/179368792.db2.gz PROHLWCQSMQSRC-HZPDHXFCSA-N 2 0 268.445 2.393 10 0 CEAERP CC(C)[NH+]1CCC(NC(=O)CCC(C)(C)CC[NH3+])CC1 ZINC000087694202 179471302 /nfs/dbraw/zinc/47/13/02/179471302.db2.gz HLTKHIOLWMZQFU-UHFFFAOYSA-N 2 0 283.460 2.131 10 0 CEAERP CC[NH+](CC)C1CCN(C(=O)[C@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087697284 179472400 /nfs/dbraw/zinc/47/24/00/179472400.db2.gz RPMJNONZHZLFEP-HUUCEWRRSA-N 2 0 297.487 2.473 10 0 CEAERP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]CCCC[NH3+] ZINC000089144627 179722169 /nfs/dbraw/zinc/72/21/69/179722169.db2.gz BJWVCAHXCDMYOD-KBPBESRZSA-N 2 0 299.459 2.398 10 0 CEAERP C[C@@H](c1cc2ccccc2o1)[NH+]1CCN(C2C[NH2+]C2)CC1 ZINC000090306635 179954578 /nfs/dbraw/zinc/95/45/78/179954578.db2.gz QVTUCMYBOVDAGK-ZDUSSCGKSA-N 2 0 285.391 2.083 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@H]1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000090566330 180005250 /nfs/dbraw/zinc/00/52/50/180005250.db2.gz NWYMCAOGUZYXKF-NVXWUHKLSA-N 2 0 292.423 2.142 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[N@H+](C)Cc1cccc(C)c1 ZINC000090566288 180006017 /nfs/dbraw/zinc/00/60/17/180006017.db2.gz OLZGFQPRPWETQX-DLBZAZTESA-N 2 0 276.424 2.441 10 0 CEAERP CCC[NH2+][C@@H]1COC[C@@H]1C[NH+]1CCC(C)(C)CC1 ZINC000090566818 180006382 /nfs/dbraw/zinc/00/63/82/180006382.db2.gz YJQKZSJBQXXRKX-UONOGXRCSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[NH2+][C@H]1COC[C@@H]1C[NH+]1CCc2ccccc2CC1 ZINC000090567114 180006859 /nfs/dbraw/zinc/00/68/59/180006859.db2.gz HWNPDSOPLSWZMX-ROUUACIJSA-N 2 0 288.435 2.102 10 0 CEAERP CCCCCNC(=O)[C@H](C)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693428 180025257 /nfs/dbraw/zinc/02/52/57/180025257.db2.gz ONFHORWPEXQFCB-GJZGRUSLSA-N 2 0 283.460 2.145 10 0 CEAERP C[C@@H](C(=O)Nc1ccccc1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693303 180025539 /nfs/dbraw/zinc/02/55/39/180025539.db2.gz IPCVQWFEAZRORJ-GJZGRUSLSA-N 2 0 289.423 2.478 10 0 CEAERP C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090873624 180050268 /nfs/dbraw/zinc/05/02/68/180050268.db2.gz IDKYLMQMDFMWFS-BMFZPTHFSA-N 2 0 274.408 2.310 10 0 CEAERP CC[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O2)C1 ZINC000090875378 180050828 /nfs/dbraw/zinc/05/08/28/180050828.db2.gz OZVJAFFEFAXIIH-HOCLYGCPSA-N 2 0 274.408 2.312 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090878930 180053101 /nfs/dbraw/zinc/05/31/01/180053101.db2.gz OQWRKKYTBWOLKO-NHYWBVRUSA-N 2 0 278.371 2.188 10 0 CEAERP Cc1ccc2c(c1)C[C@H](C[NH2+]CC1CC[NH+](C)CC1)O2 ZINC000090897786 180057047 /nfs/dbraw/zinc/05/70/47/180057047.db2.gz YXJCWTUCNNHPPL-MRXNPFEDSA-N 2 0 274.408 2.230 10 0 CEAERP C[C@@H](C[NH2+]Cc1sccc1N)C[NH+]1CCCC1 ZINC000090960674 180076250 /nfs/dbraw/zinc/07/62/50/180076250.db2.gz FXPQBAZNLJTERU-NSHDSACASA-N 2 0 253.415 2.152 10 0 CEAERP Cn1ccc(C[NH2+]Cc2ccccc2C[NH+](C)C)c1 ZINC000091007230 180085663 /nfs/dbraw/zinc/08/56/63/180085663.db2.gz JDEXVLAATUGKHV-UHFFFAOYSA-N 2 0 257.381 2.377 10 0 CEAERP C[C@H]([NH3+])C1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC000091019649 180087810 /nfs/dbraw/zinc/08/78/10/180087810.db2.gz YTZMDZQYYRCLBP-NSHDSACASA-N 2 0 258.369 2.122 10 0 CEAERP CC[C@@H]1C[NH+]([C@@H]2CCC[C@@H](C[NH3+])C2)C[C@@H](CC)O1 ZINC000675054793 539761720 /nfs/dbraw/zinc/76/17/20/539761720.db2.gz ZIDXHCGQMPQVFR-KBUPBQIOSA-N 2 0 254.418 2.393 10 0 CEAERP CCC1(CC)CC[NH+](CC[C@H]2C[NH2+]CCO2)CC1 ZINC000091314207 180133849 /nfs/dbraw/zinc/13/38/49/180133849.db2.gz VEVNCLQTDRPQFS-AWEZNQCLSA-N 2 0 254.418 2.267 10 0 CEAERP c1ccc2c(c1)CC[NH+](CC[C@H]1CSCC[NH2+]1)CC2 ZINC000091292339 180123643 /nfs/dbraw/zinc/12/36/43/180123643.db2.gz NGBIZDZDJYDTOJ-INIZCTEOSA-N 2 0 276.449 2.182 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@H]1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091428979 180153069 /nfs/dbraw/zinc/15/30/69/180153069.db2.gz DGBYXNFZKCLCCZ-HRCADAONSA-N 2 0 267.461 2.181 10 0 CEAERP CC1CCC([NH2+]CCN2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000091430897 180153598 /nfs/dbraw/zinc/15/35/98/180153598.db2.gz HAYKLFAWAFEYRS-UYSNPLJNSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)[NH2+]Cc1occc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000091449260 180157596 /nfs/dbraw/zinc/15/75/96/180157596.db2.gz BRBSLTDJRGVLOU-HNNXBMFYSA-N 2 0 279.428 2.304 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091450416 180158266 /nfs/dbraw/zinc/15/82/66/180158266.db2.gz ZDRHNSHCQJHHAO-DOMZBBRYSA-N 2 0 290.411 2.264 10 0 CEAERP CCC[C@](C)(C[NH2+]CC)C[N@H+](C)CC1CC(O)C1 ZINC000091490136 180168817 /nfs/dbraw/zinc/16/88/17/180168817.db2.gz BIKBLOVXWLVHRE-YMAMQOFZSA-N 2 0 256.434 2.105 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091391695 180144777 /nfs/dbraw/zinc/14/47/77/180144777.db2.gz MEUGTFNVYHDKGU-UBHSHLNASA-N 2 0 267.442 2.162 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393612 180145574 /nfs/dbraw/zinc/14/55/74/180145574.db2.gz ZWTQRHBKXRAZFG-DLBZAZTESA-N 2 0 275.440 2.275 10 0 CEAERP CCC[NH2+][C@H](C)C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091393403 180145593 /nfs/dbraw/zinc/14/55/93/180145593.db2.gz KXVYMGXHBPOKNB-KFWWJZLASA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CCC[C@H]([NH+](C)C)C1 ZINC000091393373 180145632 /nfs/dbraw/zinc/14/56/32/180145632.db2.gz ICAKFFOYFRTLKB-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000091393074 180145671 /nfs/dbraw/zinc/14/56/71/180145671.db2.gz YWFFRHVAOUYVEB-ZBFHGGJFSA-N 2 0 293.480 2.434 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1F)N1CCC[C@H]([NH+](C)C)C1 ZINC000091394645 180146651 /nfs/dbraw/zinc/14/66/51/180146651.db2.gz NLNHBPPICMLYAE-HEHGZKQESA-N 2 0 279.403 2.240 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CC[C@H]([NH+](C)C)C1 ZINC000091404954 180147051 /nfs/dbraw/zinc/14/70/51/180147051.db2.gz OEEHGWLFKLARAD-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CCn1nc(C)cc1C[C@H](CC[NH+](CC)CC)[NH2+]C ZINC000091716187 180232856 /nfs/dbraw/zinc/23/28/56/180232856.db2.gz FMMOWVJYPLLMHH-AWEZNQCLSA-N 2 0 266.433 2.074 10 0 CEAERP [NH3+][C@H](Cc1ccc(Cl)cc1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720476 180236725 /nfs/dbraw/zinc/23/67/25/180236725.db2.gz AFRCRRSJVFDYBA-RBSFLKMASA-N 2 0 280.799 2.073 10 0 CEAERP CCC[N@H+](CC(=O)OC(C)(C)C)C1CCC([NH3+])CC1 ZINC000091852286 180272666 /nfs/dbraw/zinc/27/26/66/180272666.db2.gz MSDPYAFLKYSTNS-UHFFFAOYSA-N 2 0 270.417 2.310 10 0 CEAERP CC[N@H+](CCC[NH+]1CCCC1)C1CCC([NH3+])CC1 ZINC000091851027 180271873 /nfs/dbraw/zinc/27/18/73/180271873.db2.gz PQULEFSXYROING-UHFFFAOYSA-N 3 0 253.434 2.064 10 0 CEAERP CC[N@H+](C[C@](C)(O)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850739 180271927 /nfs/dbraw/zinc/27/19/27/180271927.db2.gz QKTSMQWDVSKLCT-JCYILVPMSA-N 2 0 276.424 2.486 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000091871062 180276816 /nfs/dbraw/zinc/27/68/16/180276816.db2.gz SKIJMXMNVBZHHR-UHFFFAOYSA-N 2 0 278.396 2.363 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)NCC(C)C)CC1 ZINC000091870203 180277118 /nfs/dbraw/zinc/27/71/18/180277118.db2.gz XRFZZUABRUMYIK-FHERZECASA-N 2 0 297.487 2.390 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2nc(C)c(C)o2)CC1 ZINC000091872945 180277845 /nfs/dbraw/zinc/27/78/45/180277845.db2.gz SFTMUDBJYUQQBK-UHFFFAOYSA-N 2 0 251.374 2.254 10 0 CEAERP CCC1CCC(C[NH3+])([C@]2(O)CCC[N@H+](C)CC2)CC1 ZINC000091922482 180286504 /nfs/dbraw/zinc/28/65/04/180286504.db2.gz ZVPHUVPDIDWYOC-GPANFISMSA-N 2 0 268.445 2.379 10 0 CEAERP C[NH2+]C[C@H](C)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000092133277 180331341 /nfs/dbraw/zinc/33/13/41/180331341.db2.gz DZZPRSGVACHCII-ZDUSSCGKSA-N 2 0 275.396 2.076 10 0 CEAERP [NH3+][C@H]1C=C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000092202730 180343369 /nfs/dbraw/zinc/34/33/69/180343369.db2.gz HNZZGRDBCWOASD-CABCVRRESA-N 2 0 285.391 2.124 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000092299692 180358809 /nfs/dbraw/zinc/35/88/09/180358809.db2.gz UNLOTBSAJNLPDU-UONOGXRCSA-N 2 0 260.381 2.094 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+][C@H](CO)C(C)C)CC1 ZINC000092392768 180375954 /nfs/dbraw/zinc/37/59/54/180375954.db2.gz GTZFLONYFUAQDD-DZGCQCFKSA-N 2 0 256.434 2.103 10 0 CEAERP [NH3+]CCC1CC[NH+](Cc2cc(Cl)ccn2)CC1 ZINC000092417274 180381208 /nfs/dbraw/zinc/38/12/08/180381208.db2.gz GJFOXWBVRBNGPQ-UHFFFAOYSA-N 2 0 253.777 2.296 10 0 CEAERP CCNc1cc[nH+]c(CN2CCC[C@H]2C[NH+](C)C)c1 ZINC000092419020 180382331 /nfs/dbraw/zinc/38/23/31/180382331.db2.gz DOTCQGCODZXULA-HNNXBMFYSA-N 2 0 262.401 2.039 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000092624591 180418367 /nfs/dbraw/zinc/41/83/67/180418367.db2.gz SIHHSXPVKDDYHU-HOCLYGCPSA-N 2 0 293.480 2.434 10 0 CEAERP CC(C)N1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CCCOC1 ZINC000109545973 186261989 /nfs/dbraw/zinc/26/19/89/186261989.db2.gz KDOUZOOXHBHCBJ-IUOOZAAYSA-N 2 0 266.429 2.264 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603650 186266339 /nfs/dbraw/zinc/26/63/39/186266339.db2.gz IDBJRDZZUWWQAJ-NWANDNLSSA-N 2 0 282.428 2.025 10 0 CEAERP CCC[C@H](C[NH3+])N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000109463150 186254341 /nfs/dbraw/zinc/25/43/41/186254341.db2.gz KNAWGEKVGKRERX-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP CCc1nc(N2CC[C@@H]([NH+](CC)CC)C2)sc1C[NH2+]C ZINC000110275543 186289197 /nfs/dbraw/zinc/28/91/97/186289197.db2.gz WMZUFCGRUMLFOI-GFCCVEGCSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(c2nc(C)c(C[NH2+]C)s2)C1 ZINC000110275485 186289506 /nfs/dbraw/zinc/28/95/06/186289506.db2.gz KSTGEYFBCOJKSB-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP C(C[C@@H]1CCCC[NH2+]1)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000110371078 186294723 /nfs/dbraw/zinc/29/47/23/186294723.db2.gz VKQZPUHNNGUOEN-DLBZAZTESA-N 2 0 279.472 2.469 10 0 CEAERP CC(C)[N@H+](C)CCCCNC(=O)CC1CCC(C[NH3+])CC1 ZINC000110618074 186305680 /nfs/dbraw/zinc/30/56/80/186305680.db2.gz RRUPOPQNROSDFO-UHFFFAOYSA-N 2 0 297.487 2.378 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@H]1CC[N@@H+](C2CC2)C1 ZINC000110629960 186308170 /nfs/dbraw/zinc/30/81/70/186308170.db2.gz DBWRUSYPXYVAFU-JTQLQIEISA-N 2 0 290.342 2.175 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2ccc(C)s2)CC[N@@H+]1C ZINC000110703960 186313591 /nfs/dbraw/zinc/31/35/91/186313591.db2.gz VLSCPXDKIHWWQH-OLZOCXBDSA-N 2 0 267.442 2.082 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH3+])c2ccc3ccccc3c2)CC[N@@H+]1C ZINC000110708554 186313638 /nfs/dbraw/zinc/31/36/38/186313638.db2.gz XBKQJDPJESPAIL-KDOFPFPSSA-N 2 0 283.419 2.476 10 0 CEAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110704910 186313898 /nfs/dbraw/zinc/31/38/98/186313898.db2.gz WPZXZWVNKPMRGH-ZBFHGGJFSA-N 2 0 275.440 2.409 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)c1C ZINC000110711795 186315301 /nfs/dbraw/zinc/31/53/01/186315301.db2.gz IXQVXKGRMCJFCA-MRXNPFEDSA-N 2 0 275.440 2.329 10 0 CEAERP CC[C@H]1CN([C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1C ZINC000110715474 186315815 /nfs/dbraw/zinc/31/58/15/186315815.db2.gz SDTRWNKZAFAXIY-SOUVJXGZSA-N 2 0 253.434 2.063 10 0 CEAERP Cc1ccc([C@H]([NH3+])CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000110716471 186316380 /nfs/dbraw/zinc/31/63/80/186316380.db2.gz HNAMYZZSSGMDLC-OAHLLOKOSA-N 2 0 261.413 2.021 10 0 CEAERP CC[C@H]1CN([C@@H](C[NH3+])c2ccc(C)c(C)c2)CC[N@@H+]1C ZINC000110710010 186316465 /nfs/dbraw/zinc/31/64/65/186316465.db2.gz KIUKDQOPDLWYQN-IRXDYDNUSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758810 186320942 /nfs/dbraw/zinc/32/09/42/186320942.db2.gz DMEDAUCWFLHDMY-LLVKDONJSA-N 2 0 282.457 2.344 10 0 CEAERP CC[N@@H+]1CCN(Cc2ccccc2C[NH2+]C2CC2)C[C@@H]1C ZINC000110753491 186321510 /nfs/dbraw/zinc/32/15/10/186321510.db2.gz JFACFCIEIXPSLY-HNNXBMFYSA-N 2 0 287.451 2.465 10 0 CEAERP CC[N@@H+]1CCN(c2nc(C)c(C[NH2+]C(C)C)s2)C[C@@H]1C ZINC000110760146 186323639 /nfs/dbraw/zinc/32/36/39/186323639.db2.gz GWZWGGBUNABPEE-LBPRGKRZSA-N 2 0 296.484 2.480 10 0 CEAERP CC(C)(C)[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2F)CC1 ZINC000111039512 186347008 /nfs/dbraw/zinc/34/70/08/186347008.db2.gz OYXJPPJJUCDQJY-CQSZACIVSA-N 2 0 297.393 2.381 10 0 CEAERP CCOCC[N@H+](CC)C[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000111123083 186355000 /nfs/dbraw/zinc/35/50/00/186355000.db2.gz IVOWTGQAMYGSIQ-KKUMJFAQSA-N 2 0 256.434 2.498 10 0 CEAERP CCCOc1ccc([C@H](C[NH3+])N(C)CCC[NH+](C)C)cc1 ZINC000111133808 186356459 /nfs/dbraw/zinc/35/64/59/186356459.db2.gz JLWRNGLMBHGRNI-KRWDZBQOSA-N 2 0 293.455 2.359 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000111132874 186356591 /nfs/dbraw/zinc/35/65/91/186356591.db2.gz SAWHVYBZIFLHAR-ZDUSSCGKSA-N 2 0 289.345 2.199 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000111133091 186356670 /nfs/dbraw/zinc/35/66/70/186356670.db2.gz YURVYJIIWAXRID-GFCCVEGCSA-N 2 0 290.238 2.487 10 0 CEAERP C[C@@H]1CC(C)(C)C[C@](C[NH3+])(N(C)CC[NH+](C)C)C1 ZINC000111132454 186356735 /nfs/dbraw/zinc/35/67/35/186356735.db2.gz BIOCJZXENDPPHT-UKRRQHHQSA-N 2 0 255.450 2.024 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)CCC[NH+](C)C)cc1C ZINC000111136404 186357129 /nfs/dbraw/zinc/35/71/29/186357129.db2.gz SRAOCVNZNQHEQU-INIZCTEOSA-N 2 0 263.429 2.187 10 0 CEAERP CCC[NH2+][C@H]1CCCCC[C@H]1N(C)CC[NH+](C)C ZINC000111135517 186357455 /nfs/dbraw/zinc/35/74/55/186357455.db2.gz ALEFNYWLQSJRSB-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H](CN(C)CC[NH+](C)C)c1ccccc1C ZINC000111134292 186357499 /nfs/dbraw/zinc/35/74/99/186357499.db2.gz URITXJLZFOGGTO-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP C[NH+](C)CCC[N@H+](C)[C@H](CC(N)=S)c1ccccc1 ZINC000111137530 186357561 /nfs/dbraw/zinc/35/75/61/186357561.db2.gz MUJKFSCVMXRLJF-CQSZACIVSA-N 2 0 279.453 2.287 10 0 CEAERP CCc1ccc([C@@H]([NH3+])[C@@H](C)N(C)CC[NH+](C)C)cc1 ZINC000111134374 186357586 /nfs/dbraw/zinc/35/75/86/186357586.db2.gz DZBYADCNJGHOFX-CJNGLKHVSA-N 2 0 263.429 2.131 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CCC[NH+](C)C)C(C)(C)C ZINC000111135988 186357676 /nfs/dbraw/zinc/35/76/76/186357676.db2.gz ZDWFEFMUYPZNHI-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@@H]1N(C)CCC[NH+](C)C ZINC000111136746 186358056 /nfs/dbraw/zinc/35/80/56/186358056.db2.gz BTBXRNLDSOUIOT-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]Cc1cnc(N(C)CC[NH+](C)C)c(Cl)c1 ZINC000111148928 186358396 /nfs/dbraw/zinc/35/83/96/186358396.db2.gz DZDHOTARKLNBML-UHFFFAOYSA-N 2 0 284.835 2.232 10 0 CEAERP Cc1cc(C)c(C[NH2+]C2CC2)c(N(C)CCC[NH+](C)C)n1 ZINC000111149206 186358587 /nfs/dbraw/zinc/35/85/87/186358587.db2.gz ANIMCNDQXPFSLX-UHFFFAOYSA-N 2 0 290.455 2.338 10 0 CEAERP CC[NH2+][C@H](CCN(C)CCC[NH+](C)C)C(C)(C)C ZINC000111148106 186358706 /nfs/dbraw/zinc/35/87/06/186358706.db2.gz VWILVIBYWCBAJH-CQSZACIVSA-N 2 0 257.466 2.284 10 0 CEAERP CC(C)[NH2+]Cc1nc(C(C)C)ncc1N(C)CC[NH+](C)C ZINC000111149104 186358749 /nfs/dbraw/zinc/35/87/49/186358749.db2.gz DOTWUGKAPAPVJC-UHFFFAOYSA-N 2 0 293.459 2.096 10 0 CEAERP CC[C@@](C)(C[NH2+]C(C)C)CN(C)CCC[NH+](C)C ZINC000111147531 186359482 /nfs/dbraw/zinc/35/94/82/186359482.db2.gz YTARXZGKHCYODY-HNNXBMFYSA-N 2 0 257.466 2.284 10 0 CEAERP Cc1oc(CN(C)CCC[NH+](C)C)cc1C[NH2+]C1CC1 ZINC000111150278 186359690 /nfs/dbraw/zinc/35/96/90/186359690.db2.gz POEAUNDMUOQWFT-UHFFFAOYSA-N 2 0 279.428 2.224 10 0 CEAERP CN(CCC[NH+](C)C)CC[NH2+]C1CCCCCC1 ZINC000111151038 186360322 /nfs/dbraw/zinc/36/03/22/186360322.db2.gz AIFUDWMACQZUJZ-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)CC1CCOCC1 ZINC000111175553 186364641 /nfs/dbraw/zinc/36/46/41/186364641.db2.gz ATWZABBBHUFJLR-CYBMUJFWSA-N 2 0 254.418 2.266 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@@H+]2CCCC[C@@H]2C)CCCOC1 ZINC000111323699 186397841 /nfs/dbraw/zinc/39/78/41/186397841.db2.gz DSIXKCXSQODEOK-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)C[NH+](CC(C)C)C[C@@]1(C[NH3+])CCCOC1 ZINC000111326167 186398085 /nfs/dbraw/zinc/39/80/85/186398085.db2.gz GKLDMCPNVMGMQQ-HNNXBMFYSA-N 2 0 256.434 2.356 10 0 CEAERP CC[N@H+](C[C@]1(C[NH2+]C(C)C)CCCOC1)[C@@H](C)COC ZINC000111326375 186398635 /nfs/dbraw/zinc/39/86/35/186398635.db2.gz HZCHVKTWFVHTBL-JKSUJKDBSA-N 2 0 286.460 2.138 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](CC(C)C)C2CC2)CCCOC1 ZINC000111326872 186398707 /nfs/dbraw/zinc/39/87/07/186398707.db2.gz SUSQIBFDBYMLGB-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP [NH3+]CCc1cc(F)ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000111482638 186422541 /nfs/dbraw/zinc/42/25/41/186422541.db2.gz GFCJKYRPNUHJJK-MRXNPFEDSA-N 2 0 291.414 2.392 10 0 CEAERP Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc[nH+]1 ZINC000630526583 351773424 /nfs/dbraw/zinc/77/34/24/351773424.db2.gz MCVYTYICDSFREY-ZYHUDNBSSA-N 2 0 273.302 2.354 10 0 CEAERP CCN1CCC[C@H]1C[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000092633501 539827838 /nfs/dbraw/zinc/82/78/38/539827838.db2.gz FOMQVYUYRGLEBL-INIZCTEOSA-N 2 0 267.461 2.182 10 0 CEAERP C[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)s1 ZINC000070600470 363100597 /nfs/dbraw/zinc/10/05/97/363100597.db2.gz XZLIQIRLVMSQQZ-ZETCQYMHSA-N 2 0 263.204 2.338 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccccc1I ZINC000575439689 366287638 /nfs/dbraw/zinc/28/76/38/366287638.db2.gz XKCBKVKYPWEBGJ-JTQLQIEISA-N 2 0 290.148 2.030 10 0 CEAERP C[N@H+](Cc1ccc2c[nH]nc2c1)[C@H]1CCC[NH2+]CC1 ZINC000336191957 213011473 /nfs/dbraw/zinc/01/14/73/213011473.db2.gz GIIICJXVTFCDCT-AWEZNQCLSA-N 2 0 258.369 2.137 10 0 CEAERP C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578303814 366473276 /nfs/dbraw/zinc/47/32/76/366473276.db2.gz ULPRXLMFFZZMMN-GXTWGEPZSA-N 2 0 250.361 2.346 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000578303817 366473300 /nfs/dbraw/zinc/47/33/00/366473300.db2.gz ULPRXLMFFZZMMN-TZMCWYRMSA-N 2 0 250.361 2.346 10 0 CEAERP Cc1ccccc1[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151313455 366638691 /nfs/dbraw/zinc/63/86/91/366638691.db2.gz VHCVHXAGSKMRCS-HOTGVXAUSA-N 2 0 276.424 2.492 10 0 CEAERP C[C@H]1C[N@H+](CCCCC2CCOCC2)C[C@H]1C[NH3+] ZINC000631838442 367579292 /nfs/dbraw/zinc/57/92/92/367579292.db2.gz OGVOTMLYELTKAJ-DZGCQCFKSA-N 2 0 254.418 2.110 10 0 CEAERP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000185718707 368848408 /nfs/dbraw/zinc/84/84/08/368848408.db2.gz YJMAYIOVXYWBDX-HNNXBMFYSA-N 2 0 299.418 2.436 10 0 CEAERP c1ccc(C[N@@H+]2CCCCC[C@H](N[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000635023067 369059027 /nfs/dbraw/zinc/05/90/27/369059027.db2.gz RLMADAWTROWQGQ-MSOLQXFVSA-N 2 0 287.451 2.383 10 0 CEAERP C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400442673 296134129 /nfs/dbraw/zinc/13/41/29/296134129.db2.gz MUONQSVPAZMOTE-FPCVCCKLSA-N 2 0 267.461 2.085 10 0 CEAERP CC(C)n1ncc2cc(CN3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cnc21 ZINC000193616863 369962769 /nfs/dbraw/zinc/96/27/69/369962769.db2.gz SJCXGNHNVSVYQJ-IYBDPMFKSA-N 2 0 299.422 2.006 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3Cl)C[C@H]12 ZINC000261586088 371664362 /nfs/dbraw/zinc/66/43/62/371664362.db2.gz ITGDTTJRZSSGRW-SGMGOOAPSA-N 2 0 280.799 2.388 10 0 CEAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261611839 371676812 /nfs/dbraw/zinc/67/68/12/371676812.db2.gz DZFJEIFTQUXWJJ-RRFJBIMHSA-N 2 0 290.407 2.133 10 0 CEAERP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)C1 ZINC000261792261 371734408 /nfs/dbraw/zinc/73/44/08/371734408.db2.gz GHECCHOIYBJQQP-IWCQGFGOSA-N 2 0 280.456 2.248 10 0 CEAERP CCC[C@@]1(COC)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261801890 371735511 /nfs/dbraw/zinc/73/55/11/371735511.db2.gz GYHIHOJCWNPMMY-GJZGRUSLSA-N 2 0 254.418 2.267 10 0 CEAERP c1ccc(C[N@@H+]2C[C@H]3CN(C[C@@H]4CCC[NH2+]C4)C[C@H]3C2)cc1 ZINC000261944844 371779999 /nfs/dbraw/zinc/77/99/99/371779999.db2.gz NDXRIDRRZUQXEH-QRVBRYPASA-N 3 0 299.462 2.050 10 0 CEAERP C[C@H]1CN(Cc2ccc(OCc3ccccn3)cc2)C[C@H]1[NH3+] ZINC000262090521 371821385 /nfs/dbraw/zinc/82/13/85/371821385.db2.gz USWLHFOVEYPWRN-KBXCAEBGSA-N 2 0 297.402 2.440 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000643454151 373124833 /nfs/dbraw/zinc/12/48/33/373124833.db2.gz JALHTSLBIDHLKY-HRCADAONSA-N 3 0 269.477 2.475 10 0 CEAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCO1 ZINC000423021438 376937382 /nfs/dbraw/zinc/93/73/82/376937382.db2.gz FBWUBVFOSSZQTN-RDBSUJKOSA-N 2 0 254.418 2.312 10 0 CEAERP Cc1cccnc1CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566088898 377721631 /nfs/dbraw/zinc/72/16/31/377721631.db2.gz JSIOXWFWBBWNNB-HUUCEWRRSA-N 2 0 261.413 2.300 10 0 CEAERP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000388768256 542371972 /nfs/dbraw/zinc/37/19/72/542371972.db2.gz FZWKUNSZOSYSJB-RBSFLKMASA-N 2 0 254.418 2.002 10 0 CEAERP C[C@H]1CC[C@@](C[NH3+])(N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000080462743 177654097 /nfs/dbraw/zinc/65/40/97/177654097.db2.gz ANUJWMGICOWAKU-DOTOQJQBSA-N 2 0 279.472 2.454 10 0 CEAERP CCOC1CC[NH+](CC[C@@H]2CCC[C@@H]2[NH2+]C)CC1 ZINC000093552238 184690469 /nfs/dbraw/zinc/69/04/69/184690469.db2.gz KYDYWUVOXSXAFD-ZFWWWQNUSA-N 2 0 254.418 2.266 10 0 CEAERP CC(C)[N@H+](CC1CC[NH2+]CC1)[C@H](C)c1cnccn1 ZINC000094012329 184750239 /nfs/dbraw/zinc/75/02/39/184750239.db2.gz MKSKTJFQGVBMMA-CYBMUJFWSA-N 2 0 262.401 2.248 10 0 CEAERP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](CCC)CC1CC[NH2+]CC1 ZINC000094025511 184751161 /nfs/dbraw/zinc/75/11/61/184751161.db2.gz ZEIUPJDUFKMFPH-LSDHHAIUSA-N 2 0 297.487 2.391 10 0 CEAERP CCC[NH2+]Cc1ccc(COCC(C)(C)[NH+](C)C)nc1 ZINC000094761967 184855785 /nfs/dbraw/zinc/85/57/85/184855785.db2.gz OYMGBDWMAXXBOL-UHFFFAOYSA-N 2 0 279.428 2.438 10 0 CEAERP C[C@@H]1CCC[C@](CN[C@H]2CCC[NH2+]CC2)([NH+](C)C)C1 ZINC000252761797 296494204 /nfs/dbraw/zinc/49/42/04/296494204.db2.gz DLOBCOOWXQESFX-PMPSAXMXSA-N 2 0 267.461 2.229 10 0 CEAERP CC(C)[C@@H](C[NH3+])C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000087535200 135050408 /nfs/dbraw/zinc/05/04/08/135050408.db2.gz CQDBIQJWVTXUHR-AWEZNQCLSA-N 2 0 279.403 2.179 10 0 CEAERP Cc1cccc(N2CC[NH+](CCC(C)(C)C[NH3+])CC2)c1 ZINC000087590412 135050986 /nfs/dbraw/zinc/05/09/86/135050986.db2.gz KSHCUNHRMXALNE-UHFFFAOYSA-N 2 0 275.440 2.492 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCC[NH+]1CCCCC1 ZINC000249414490 394554998 /nfs/dbraw/zinc/55/49/98/394554998.db2.gz VUQHUMOJCYTUIX-HOTGVXAUSA-N 2 0 265.445 2.031 10 0 CEAERP c1csc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178979791 165268269 /nfs/dbraw/zinc/26/82/69/165268269.db2.gz JNHINVGZIWIMDZ-ZDUSSCGKSA-N 2 0 265.426 2.322 10 0 CEAERP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCn1ccnc1 ZINC000183176142 165386693 /nfs/dbraw/zinc/38/66/93/165386693.db2.gz IGQUKFMSTQJJGF-HNNXBMFYSA-N 2 0 287.411 2.461 10 0 CEAERP [NH3+]C[C@@H](c1ccco1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225287 171087084 /nfs/dbraw/zinc/08/70/84/171087084.db2.gz LTKJAIYUCVJFBS-HNNXBMFYSA-N 2 0 277.412 2.087 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N1CC[NH+](CC)CC1 ZINC000020260059 171116156 /nfs/dbraw/zinc/11/61/56/171116156.db2.gz YIWUMKODFNNSNO-CVEARBPZSA-N 2 0 261.413 2.103 10 0 CEAERP Cn1cccc1C[NH2+]Cc1ccccc1C[NH+](C)C ZINC000020360562 171158721 /nfs/dbraw/zinc/15/87/21/171158721.db2.gz IDSSAJHFPKNVNE-UHFFFAOYSA-N 2 0 257.381 2.377 10 0 CEAERP Cc1ccc(C)c(OC[C@@H](CC[NH3+])[NH+]2CCCC2)c1 ZINC000020402071 171182322 /nfs/dbraw/zinc/18/23/22/171182322.db2.gz NGKPDNIZHZSKGR-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP CSc1ccc([C@H](C[NH3+])N2CCC[N@H+](C)CC2)cc1 ZINC000020523756 171237086 /nfs/dbraw/zinc/23/70/86/171237086.db2.gz JKTKWTSAJLOUFR-HNNXBMFYSA-N 2 0 279.453 2.046 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH3+] ZINC000022153138 171360203 /nfs/dbraw/zinc/36/02/03/171360203.db2.gz NTTPRJIGCKIAOX-CYBMUJFWSA-N 2 0 275.396 2.348 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])CC1 ZINC000022566649 171392786 /nfs/dbraw/zinc/39/27/86/171392786.db2.gz NSVWSRXNIWBFJN-SQNIBIBYSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH+](CC)CCN(CCC[NH3+])c1cccc(C)c1 ZINC000037297765 173101422 /nfs/dbraw/zinc/10/14/22/173101422.db2.gz KRMKRSFAMJAKBD-UHFFFAOYSA-N 2 0 263.429 2.492 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]CCCC(=O)OC)CC1 ZINC000037415982 173193413 /nfs/dbraw/zinc/19/34/13/173193413.db2.gz JULWRUBEKHXYPX-CYBMUJFWSA-N 2 0 270.417 2.040 10 0 CEAERP C[C@H]1C[C@@H]([NH2+]CCN2CC[NH+](C)CC2)CC(C)(C)C1 ZINC000037496831 173235407 /nfs/dbraw/zinc/23/54/07/173235407.db2.gz PSGGHFNQYMKNPH-LSDHHAIUSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH+]1CCN(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000037496871 173235576 /nfs/dbraw/zinc/23/55/76/173235576.db2.gz SPMGWFGJISMLSK-BRWVUGGUSA-N 2 0 279.472 2.182 10 0 CEAERP [NH3+][C@H]1CCCCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1 ZINC000040431783 174260124 /nfs/dbraw/zinc/26/01/24/174260124.db2.gz MDTUPPSUWVNLPG-ROUUACIJSA-N 2 0 287.451 2.464 10 0 CEAERP C[C@@H]1CCC[C@@](CNC(=O)C2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000040670505 174368315 /nfs/dbraw/zinc/36/83/15/174368315.db2.gz KYLTYOFZTGQNOM-ARAOSMHQSA-N 2 0 295.471 2.131 10 0 CEAERP CCOC1CC[NH+](CCCOc2ccccc2C[NH3+])CC1 ZINC000040678469 174374725 /nfs/dbraw/zinc/37/47/25/174374725.db2.gz LSNITRQXCHRADC-UHFFFAOYSA-N 2 0 292.423 2.415 10 0 CEAERP Cc1ccccc1OCC[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750137 174395141 /nfs/dbraw/zinc/39/51/41/174395141.db2.gz JQUSNEAZEJTINO-GOOCMWNKSA-N 2 0 260.381 2.328 10 0 CEAERP CCO[C@@H]1CN(c2cc[nH+]c3ccccc32)C[C@H]1C[NH3+] ZINC000405390386 414793259 /nfs/dbraw/zinc/79/32/59/414793259.db2.gz REYCJFNSLLBNKN-MLGOLLRUSA-N 2 0 271.364 2.035 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000042312311 174681433 /nfs/dbraw/zinc/68/14/33/174681433.db2.gz LZVIEELZUIHWRG-CABCVRRESA-N 2 0 285.476 2.247 10 0 CEAERP Cc1cccc([C@H](C[NH3+])N2CC[NH+](C3CC3)CC2)c1C ZINC000043314882 175004641 /nfs/dbraw/zinc/00/46/41/175004641.db2.gz NHOFXWWMELUIDT-KRWDZBQOSA-N 2 0 273.424 2.083 10 0 CEAERP CCC[NH2+][C@H]1c2ccccc2CC[C@H]1N1CC[NH+](C)CC1 ZINC000043811080 175110389 /nfs/dbraw/zinc/11/03/89/175110389.db2.gz WVZYJQMQDJOQST-MSOLQXFVSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1N1CCC[N@H+](C)CC1 ZINC000043818461 175112793 /nfs/dbraw/zinc/11/27/93/175112793.db2.gz AVGZFMWQRXJICZ-ZWKOTPCHSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897064 175119821 /nfs/dbraw/zinc/11/98/21/175119821.db2.gz SQQQYMDFPPJUKM-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@@H]1N1CCC([NH+](C)C)CC1 ZINC000043897263 175120129 /nfs/dbraw/zinc/12/01/29/175120129.db2.gz VTXFWBPORVIDGR-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907860 175123251 /nfs/dbraw/zinc/12/32/51/175123251.db2.gz WRTHIGHTBUPOKH-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965504 175127077 /nfs/dbraw/zinc/12/70/77/175127077.db2.gz ANCYSIYHICDSMD-IAGOWNOFSA-N 2 0 287.451 2.288 10 0 CEAERP CC[NH2+][C@@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000043967916 175128813 /nfs/dbraw/zinc/12/88/13/175128813.db2.gz MYKGHMNXPIORHC-SFHVURJKSA-N 2 0 287.451 2.365 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970610 175132114 /nfs/dbraw/zinc/13/21/14/175132114.db2.gz VTSKZMUCLUWTLR-ROUUACIJSA-N 2 0 287.451 2.145 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970731 175132187 /nfs/dbraw/zinc/13/21/87/175132187.db2.gz UEWOEOYVUKZEAR-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000045113973 175311114 /nfs/dbraw/zinc/31/11/14/175311114.db2.gz CQHJEGSYLSVBRN-OLZOCXBDSA-N 2 0 292.427 2.429 10 0 CEAERP CCn1nc(C)c([C@H](C)[NH+]2CCC(C[NH3+])CC2)c1C ZINC000045173299 175322308 /nfs/dbraw/zinc/32/23/08/175322308.db2.gz KKOCFHJYPCCARC-LBPRGKRZSA-N 2 0 264.417 2.252 10 0 CEAERP CC[NH2+][C@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379616 175368034 /nfs/dbraw/zinc/36/80/34/175368034.db2.gz IBLIUIHYCZUBQN-IJEWVQPXSA-N 2 0 283.460 2.273 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCCC[N@H+](C)C1CCCC1 ZINC000045384649 175371807 /nfs/dbraw/zinc/37/18/07/175371807.db2.gz UQBFWKCVRCMNGH-OAHLLOKOSA-N 2 0 270.417 2.312 10 0 CEAERP C[N@H+](CCCC[C@@](C)([NH3+])C(N)=O)C1CCCCCC1 ZINC000045419133 175377440 /nfs/dbraw/zinc/37/74/40/175377440.db2.gz XDEPHZBSUZERJH-OAHLLOKOSA-N 2 0 269.433 2.014 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000070382737 175903102 /nfs/dbraw/zinc/90/31/02/175903102.db2.gz QLANAZITYNAFRR-KBPBESRZSA-N 2 0 285.501 2.014 10 0 CEAERP CC[NH2+][C@H]1CCCN([C@H](C)CCC[NH+](CC)CC)C1=O ZINC000071038097 176026316 /nfs/dbraw/zinc/02/63/16/176026316.db2.gz DZOAUUQCUIVUKD-CABCVRRESA-N 2 0 283.460 2.097 10 0 CEAERP CC[C@@H]1CCC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C1 ZINC000071124608 176035408 /nfs/dbraw/zinc/03/54/08/176035408.db2.gz AQRSEHPGXXGZDG-BZUAXINKSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@H]([NH+]2CCN(C(C)(C)C[NH3+])CC2)C1 ZINC000071147709 176043887 /nfs/dbraw/zinc/04/38/87/176043887.db2.gz UZNVZRSTSUXLAJ-CABCVRRESA-N 2 0 267.461 2.310 10 0 CEAERP Cc1ccc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1C ZINC000071148886 176044677 /nfs/dbraw/zinc/04/46/77/176044677.db2.gz USVPNEVOIKFTFP-MRXNPFEDSA-N 2 0 275.440 2.201 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187857 176061288 /nfs/dbraw/zinc/06/12/88/176061288.db2.gz LAOXRNIQUHAMMB-KBRIMQKVSA-N 2 0 293.430 2.488 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH3+])c1ccccc1Cl ZINC000071188027 176061441 /nfs/dbraw/zinc/06/14/41/176061441.db2.gz JOFHEYFVFOKTLY-DOMZBBRYSA-N 2 0 281.831 2.223 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188052 176061599 /nfs/dbraw/zinc/06/15/99/176061599.db2.gz VVUILDJMKJJWFB-OUCADQQQSA-N 2 0 267.442 2.020 10 0 CEAERP CCC[C@H]([NH2+]CC)[C@@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188816 176063295 /nfs/dbraw/zinc/06/32/95/176063295.db2.gz HQWHZMUAKXXURI-OWCLPIDISA-N 2 0 269.477 2.427 10 0 CEAERP Cc1cc(C)c([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188777 176063800 /nfs/dbraw/zinc/06/38/00/176063800.db2.gz QOCNCRCPMFSOKJ-SJORKVTESA-N 2 0 289.467 2.495 10 0 CEAERP Cc1ccc([C@H](O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190633 176068752 /nfs/dbraw/zinc/06/87/52/176068752.db2.gz JCXQXWZLTWSLCL-BFYDXBDKSA-N 2 0 276.424 2.300 10 0 CEAERP C[NH2+][C@H](CCN(C)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000071191355 176070749 /nfs/dbraw/zinc/07/07/49/176070749.db2.gz PBDHWKAKUKZPRA-NVXWUHKLSA-N 2 0 275.440 2.221 10 0 CEAERP C[C@@H]1CCC[C@H]([NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071192374 176073711 /nfs/dbraw/zinc/07/37/11/176073711.db2.gz CZHOQXJZHIEZOF-OAGGEKHMSA-N 2 0 267.461 2.038 10 0 CEAERP CCC[NH2+][C@H]1CCN([C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000071200588 176077673 /nfs/dbraw/zinc/07/76/73/176077673.db2.gz YURUTTQXJSXBLW-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000071200584 176077703 /nfs/dbraw/zinc/07/77/03/176077703.db2.gz LSENQFXLBVHFHD-JKSUJKDBSA-N 2 0 269.477 2.425 10 0 CEAERP CC(C)N1CC[NH+](CCC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000071401720 176153965 /nfs/dbraw/zinc/15/39/65/176153965.db2.gz SPBPQOHEWJMHPV-QGZVFWFLSA-N 2 0 275.440 2.493 10 0 CEAERP [NH3+]CC1(c2cccc(Br)c2)CC[NH2+]CC1 ZINC000071600378 176226258 /nfs/dbraw/zinc/22/62/58/176226258.db2.gz KTMWVBOTFBWJLG-UHFFFAOYSA-N 2 0 269.186 2.029 10 0 CEAERP COc1cc(C)cc(C)c1[C@H](CC[NH3+])C[NH+](C)C ZINC000076655190 177045089 /nfs/dbraw/zinc/04/50/89/177045089.db2.gz XSBJJQVBXRSMCQ-CYBMUJFWSA-N 2 0 250.386 2.306 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NCC1CC[NH+](CC)CC1 ZINC000079240953 177454476 /nfs/dbraw/zinc/45/44/76/177454476.db2.gz BJTDNXIYYFOKEB-OAHLLOKOSA-N 2 0 297.487 2.380 10 0 CEAERP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000390529753 262207061 /nfs/dbraw/zinc/20/70/61/262207061.db2.gz LGTCYUSRVDKRHX-QZTJIDSGSA-N 2 0 287.451 2.383 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000390537889 262211138 /nfs/dbraw/zinc/21/11/38/262211138.db2.gz POVCARCJPOWSMK-IUDNXUCKSA-N 2 0 262.397 2.451 10 0 CEAERP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261889576 278076482 /nfs/dbraw/zinc/07/64/82/278076482.db2.gz XIBDECDQWRTPGX-VWYCJHECSA-N 2 0 250.308 2.259 10 0 CEAERP [NH3+]Cc1ccc(-c2noc([C@H]3CCC[C@H]([NH3+])C3)n2)cc1 ZINC000262097000 279658041 /nfs/dbraw/zinc/65/80/41/279658041.db2.gz VFEAYTCIUPKPOX-STQMWFEESA-N 2 0 272.352 2.180 10 0 CEAERP CCC(CC)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000580887094 322351799 /nfs/dbraw/zinc/35/17/99/322351799.db2.gz AESNDXGORFSZBG-IMJJTQAJSA-N 2 0 269.477 2.331 10 0 CEAERP CC(C)C[NH2+]Cc1occc1COCC[NH+](C)C ZINC000052669916 519749300 /nfs/dbraw/zinc/74/93/00/519749300.db2.gz PQAFWLRJNVRLHV-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372385 519815918 /nfs/dbraw/zinc/81/59/18/519815918.db2.gz ZKDNJXUMHKKMQZ-INIZCTEOSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCN(c2cc(Cl)ccc2C(N)=[NH2+])CC1 ZINC000062788769 519860288 /nfs/dbraw/zinc/86/02/88/519860288.db2.gz KQSUHPVULBBMHW-UHFFFAOYSA-N 2 0 280.803 2.156 10 0 CEAERP CC[NH2+]CC1(C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC000052197536 519911483 /nfs/dbraw/zinc/91/14/83/519911483.db2.gz ZNJFAGVAUXRIBC-UHFFFAOYSA-N 2 0 256.434 2.371 10 0 CEAERP CCC[NH2+]CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055075969 519912583 /nfs/dbraw/zinc/91/25/83/519912583.db2.gz ZZNHBPHSAIVCBJ-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074591 519921277 /nfs/dbraw/zinc/92/12/77/519921277.db2.gz BMVLWHBCWUFUKJ-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508699 519927728 /nfs/dbraw/zinc/92/77/28/519927728.db2.gz PHVNCXZIHNUGCZ-JKSUJKDBSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[NH+](CCC)CC2)s1 ZINC000054899160 519963500 /nfs/dbraw/zinc/96/35/00/519963500.db2.gz DLIZAMFGTOSDQF-UHFFFAOYSA-N 2 0 282.457 2.175 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)on1 ZINC000052420673 519992000 /nfs/dbraw/zinc/99/20/00/519992000.db2.gz OBYVVNIZZCULTQ-TXEJJXNPSA-N 2 0 251.374 2.262 10 0 CEAERP CC[NH2+]Cc1ccoc1C[N@H+](CC)[C@H](C)COC ZINC000052504761 520009750 /nfs/dbraw/zinc/00/97/50/520009750.db2.gz GJNXEPXMENTPGP-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1sc(N(C)[C@H]2CCC[N@H+](C)C2)nc1C ZINC000054998284 520032889 /nfs/dbraw/zinc/03/28/89/520032889.db2.gz OVAUUZICYITNKZ-LBPRGKRZSA-N 2 0 282.457 2.091 10 0 CEAERP CCC[NH2+][C@H](C)[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066159 520063901 /nfs/dbraw/zinc/06/39/01/520063901.db2.gz GDLUDOWBLSIWTP-RRFJBIMHSA-N 2 0 255.450 2.179 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N1CCC[N@H+](C)CC1 ZINC000054554793 520122163 /nfs/dbraw/zinc/12/21/63/520122163.db2.gz NUUAFNNKODKQGB-BBWFWOEESA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H](CC[NH+]1CCC(CO)CC1)C(C)(C)C ZINC000054026836 520189116 /nfs/dbraw/zinc/18/91/16/520189116.db2.gz MQOFIZJSYFOSLQ-CQSZACIVSA-N 2 0 256.434 2.105 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)C2CCCCCC2)O1 ZINC000052482113 522058399 /nfs/dbraw/zinc/05/83/99/522058399.db2.gz SAHHBMMCNGEABS-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000055065570 522132717 /nfs/dbraw/zinc/13/27/17/522132717.db2.gz GIHIYDUCDUPXFH-PMPSAXMXSA-N 2 0 267.461 2.453 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1ccccc1C[NH2+]C1CC1 ZINC000052511958 522219423 /nfs/dbraw/zinc/21/94/23/522219423.db2.gz OZNVZRSFSSBJLA-CYBMUJFWSA-N 2 0 262.397 2.405 10 0 CEAERP CC(C)C[C@@H]1CSC(N[C@H]2CC[N@@H+]3CCC[C@H]23)=[NH+]1 ZINC000049569652 519277030 /nfs/dbraw/zinc/27/70/30/519277030.db2.gz VNEBCDSTYRMKMR-FRRDWIJNSA-N 2 0 267.442 2.330 10 0 CEAERP CC(C)C[N@H+](CCN(C)C)[C@H](C)CCC[NH2+]C1CC1 ZINC000052503370 519716756 /nfs/dbraw/zinc/71/67/56/519716756.db2.gz PAHUTVPNTUEIHS-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]CCCCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000052540314 519720528 /nfs/dbraw/zinc/72/05/28/519720528.db2.gz RUPKBFZZPBALFU-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccn2)O1 ZINC000052478889 519723463 /nfs/dbraw/zinc/72/34/63/519723463.db2.gz XKBQPXJAYNDKAS-HOTGVXAUSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2ccc(F)cc2)[C@H](C)[NH3+])CC1 ZINC000055077388 519727435 /nfs/dbraw/zinc/72/74/35/519727435.db2.gz GABWBSMHRGWAIS-WMLDXEAASA-N 2 0 293.430 2.488 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N(C)CC2CC[NH+](C)CC2)c1 ZINC000063122223 519727797 /nfs/dbraw/zinc/72/77/97/519727797.db2.gz YMHCLJYGEQQEIW-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1C[N@H+](C)C1CCOCC1 ZINC000052481150 519728044 /nfs/dbraw/zinc/72/80/44/519728044.db2.gz AXLSTIWJKWGEBZ-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC(C)C[NH+]1CCN([C@@]2(C[NH3+])C[C@H](C)CC[C@@H]2C)CC1 ZINC000068629274 519728122 /nfs/dbraw/zinc/72/81/22/519728122.db2.gz UAWPOLMDVXZGQX-IXDOHACOSA-N 2 0 281.488 2.414 10 0 CEAERP CC(C)C[NH+]1CCN([C@H]2CCCCC[C@@H]2C[NH3+])CC1 ZINC000055077564 519728404 /nfs/dbraw/zinc/72/84/04/519728404.db2.gz CBBJEKZAXYQOER-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)CC2CC2)CCOCC1 ZINC000052182157 519742823 /nfs/dbraw/zinc/74/28/23/519742823.db2.gz RRGULUDZSQMGHI-UHFFFAOYSA-N 2 0 268.445 2.371 10 0 CEAERP CC(C)C[NH2+]CC1(C[N@H+](C)C[C@@H]2CCCO2)CCOCC1 ZINC000052182996 519742926 /nfs/dbraw/zinc/74/29/26/519742926.db2.gz BAQISMNSMTVXHX-INIZCTEOSA-N 2 0 298.471 2.140 10 0 CEAERP CC(C)C[NH2+]CCCC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515184 519743367 /nfs/dbraw/zinc/74/33/67/519743367.db2.gz KJAACDRHMCYXPS-UHFFFAOYSA-N 3 0 269.477 2.286 10 0 CEAERP CC(C)C[NH2+]C[C@@H](OC1CC[NH+](C)CC1)C(C)C ZINC000052596465 519744936 /nfs/dbraw/zinc/74/49/36/519744936.db2.gz AVNFMRPCYPNTTR-OAHLLOKOSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)C[NH2+]Cc1occc1CN1CCC[N@H+](C)CC1 ZINC000052424417 519749462 /nfs/dbraw/zinc/74/94/62/519749462.db2.gz CDSIYHONFDJZOK-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000055163212 519845844 /nfs/dbraw/zinc/84/58/44/519845844.db2.gz SPRUYUDYWUIETM-HUUCEWRRSA-N 2 0 295.471 2.132 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054629075 519908642 /nfs/dbraw/zinc/90/86/42/519908642.db2.gz ZRYYGJQCXQPYKF-CVGRLMLNSA-N 2 0 277.456 2.218 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCN(CCC)CC1 ZINC000052421966 519913005 /nfs/dbraw/zinc/91/30/05/519913005.db2.gz VNNJOHTXLMLAIU-OAHLLOKOSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C[C@@H](CC)N(C)C1CC[NH+](CC)CC1 ZINC000052543957 519921249 /nfs/dbraw/zinc/92/12/49/519921249.db2.gz GTOSWPGWPQLDBT-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CCOC)[C@@H](C)CC)O1 ZINC000052547425 519927574 /nfs/dbraw/zinc/92/75/74/519927574.db2.gz VKPKQWVYYMVGDC-HRCADAONSA-N 2 0 286.460 2.281 10 0 CEAERP CCC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CC)CC1 ZINC000052422556 519934142 /nfs/dbraw/zinc/93/41/42/519934142.db2.gz ZZUBVZOJEIDWAM-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508704 519936650 /nfs/dbraw/zinc/93/66/50/519936650.db2.gz PHVNCXZIHNUGCZ-CVEARBPZSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+]C[C@](C)(CCC)CN1CC[C@H]([NH+](C)C)C1 ZINC000062969879 519940762 /nfs/dbraw/zinc/94/07/62/519940762.db2.gz LUVRKEAJXOYEDS-HOTGVXAUSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](C)C2CCCCCC2)nn1 ZINC000052482065 519959690 /nfs/dbraw/zinc/95/96/90/519959690.db2.gz PKKWVBOQMYXPGX-UHFFFAOYSA-N 2 0 293.459 2.432 10 0 CEAERP CCC[NH2+]Cc1coc(C[N@H+](CCOC)[C@H](C)COC)c1 ZINC000052572391 519964294 /nfs/dbraw/zinc/96/42/94/519964294.db2.gz PWUOPLNSVQVUGN-CQSZACIVSA-N 2 0 298.427 2.263 10 0 CEAERP CC[NH2+]Cc1cc(N2CC[C@H]([NH+](CC)CC)C2)ccn1 ZINC000062971329 519992385 /nfs/dbraw/zinc/99/23/85/519992385.db2.gz JHUAJTYPOSRGMS-INIZCTEOSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1ccc(COCC[NH+](CC)CC)o1 ZINC000052671755 519997620 /nfs/dbraw/zinc/99/76/20/519997620.db2.gz VPRWKQMFXXBSIY-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653564 520021237 /nfs/dbraw/zinc/02/12/37/520021237.db2.gz JWRDHVQLORAVBJ-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000069288300 520064108 /nfs/dbraw/zinc/06/41/08/520064108.db2.gz IREFTHCVDMTSSN-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)C1CC1 ZINC000069074386 520083525 /nfs/dbraw/zinc/08/35/25/520083525.db2.gz UJBWNNJMSLGDLJ-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C[NH+](C)C ZINC000061270013 520172136 /nfs/dbraw/zinc/17/21/36/520172136.db2.gz OIZPYGVZMGRNAK-GFCCVEGCSA-N 2 0 263.385 2.075 10 0 CEAERP CC[NH2+][C@H](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000061274919 520172638 /nfs/dbraw/zinc/17/26/38/520172638.db2.gz SJHRTDVMLGUQGJ-MRXNPFEDSA-N 2 0 275.440 2.192 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082094 520214652 /nfs/dbraw/zinc/21/46/52/520214652.db2.gz UFIZGRBEULWXLN-SJORKVTESA-N 2 0 281.488 2.428 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1C[N@H+](CC)CCO ZINC000054560040 520219145 /nfs/dbraw/zinc/21/91/45/520219145.db2.gz FRKYYOAGLCQNMX-XHSDSOJGSA-N 2 0 270.461 2.351 10 0 CEAERP CCCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH2+]C2CC2)C1 ZINC000052371521 520271091 /nfs/dbraw/zinc/27/10/91/520271091.db2.gz XTBIWEMGAIITIN-DZGCQCFKSA-N 2 0 254.418 2.266 10 0 CEAERP CC1(C)CC(NC(=O)CC[C@H]2CCCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000050950019 520285131 /nfs/dbraw/zinc/28/51/31/520285131.db2.gz LMOQQOOETPYYDD-CYBMUJFWSA-N 2 0 295.471 2.334 10 0 CEAERP CCC[C@@H](C)[N@H+](C)CCn1cc(C[NH2+]CC(C)C)nn1 ZINC000052480670 520645428 /nfs/dbraw/zinc/64/54/28/520645428.db2.gz DBGXPKACIYTCJZ-CQSZACIVSA-N 2 0 281.448 2.144 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C2(C[NH3+])CCCCC2)C1 ZINC000062978300 520872237 /nfs/dbraw/zinc/87/22/37/520872237.db2.gz XYDLISVZPFBUIT-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[N@H+](CCn1cc(C[NH2+]C(C)(C)C)nn1)C1CCCC1 ZINC000052457765 521185239 /nfs/dbraw/zinc/18/52/39/521185239.db2.gz ACMPGZACZYICHH-UHFFFAOYSA-N 2 0 293.459 2.431 10 0 CEAERP CC[N@H+](Cc1cc(C[NH2+]C)oc1C)[C@H](C)COC ZINC000052505051 521290667 /nfs/dbraw/zinc/29/06/67/521290667.db2.gz WXNIIOYZVNIAJK-LLVKDONJSA-N 2 0 254.374 2.164 10 0 CEAERP CCC[C@]1(C(=O)NCC2CC[NH+](CC)CC2)CCC[NH2+]C1 ZINC000062860290 521298544 /nfs/dbraw/zinc/29/85/44/521298544.db2.gz NFKKPJAWPRWHEQ-KRWDZBQOSA-N 2 0 295.471 2.004 10 0 CEAERP CC[N@H+](Cc1occc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504767 521470814 /nfs/dbraw/zinc/47/08/14/521470814.db2.gz KAZIKTISGBSYEC-GFCCVEGCSA-N 2 0 266.385 2.388 10 0 CEAERP CCCc1nc(N2CCC[C@H]2C[NH+](C)C)sc1C[NH2+]C ZINC000061655614 521533204 /nfs/dbraw/zinc/53/32/04/521533204.db2.gz HUHUWBSVDMUQOW-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CCN1CCC([N@H+](C)CCCCC[NH2+]C2CC2)CC1 ZINC000052544048 521559850 /nfs/dbraw/zinc/55/98/50/521559850.db2.gz SKVYSFRDIIYABD-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+]1CCC(N(C)C[C@H](C)C[NH2+]CC(C)C)CC1 ZINC000052543980 521565078 /nfs/dbraw/zinc/56/50/78/521565078.db2.gz PWMOGQVMLPXMKT-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401455 521565435 /nfs/dbraw/zinc/56/54/35/521565435.db2.gz SOSNKPSWAOLQES-UHFFFAOYSA-N 2 0 279.403 2.201 10 0 CEAERP CCOC1CC[NH+](C[C@@H](C)C[NH2+]CC(C)C)CC1 ZINC000052483973 521655672 /nfs/dbraw/zinc/65/56/72/521655672.db2.gz RGROFCZZQZBXOR-AWEZNQCLSA-N 2 0 256.434 2.369 10 0 CEAERP CCc1ccccc1[C@@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000052203340 521929672 /nfs/dbraw/zinc/92/96/72/521929672.db2.gz WAFNKZYIIDRLRL-QGZVFWFLSA-N 2 0 275.440 2.275 10 0 CEAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1Cc2ccccc2O1 ZINC000054628391 521956788 /nfs/dbraw/zinc/95/67/88/521956788.db2.gz REXPWMAJQOIYTM-UYTSQGDYSA-N 2 0 272.392 2.205 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](c2ccc(C)o2)[C@@H](C)[NH3+])CC1 ZINC000055063693 522128627 /nfs/dbraw/zinc/12/86/27/522128627.db2.gz LAWCPMKBCUEACV-XNRPHZJLSA-N 2 0 279.428 2.392 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055074857 522129680 /nfs/dbraw/zinc/12/96/80/522129680.db2.gz COSMQQBCHYXYEI-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](CC)C[NH2+]CC(C)C)CC1 ZINC000055074664 522132610 /nfs/dbraw/zinc/13/26/10/522132610.db2.gz ZVWDQKRIMWQRQJ-HZPDHXFCSA-N 2 0 269.477 2.427 10 0 CEAERP C[NH2+]Cc1coc(C[N@H+](CCOC)CC(C)C)c1 ZINC000052508614 522149071 /nfs/dbraw/zinc/14/90/71/522149071.db2.gz VYXNTAXCHYPUAR-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1CN1CCC[C@@H]1C[NH+](C)C ZINC000061653640 522378302 /nfs/dbraw/zinc/37/83/02/522378302.db2.gz SYTMSAZBGLXQJM-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](CC1CC1)C[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1 ZINC000052483695 522630868 /nfs/dbraw/zinc/63/08/68/522630868.db2.gz IZSSRPYOSUWNMF-KGLIPLIRSA-N 2 0 254.418 2.264 10 0 CEAERP COCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261584686 523043093 /nfs/dbraw/zinc/04/30/93/523043093.db2.gz HXTSQLUYRXUONQ-ARFHVFGLSA-N 2 0 260.381 2.002 10 0 CEAERP CC[C@@H]1CCC[N@@H+]1CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052180414 523265590 /nfs/dbraw/zinc/26/55/90/523265590.db2.gz QVKKQLGXMFUHHK-OAHLLOKOSA-N 2 0 266.429 2.410 10 0 CEAERP COCC[N@H+](C)CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572860 523615473 /nfs/dbraw/zinc/61/54/73/523615473.db2.gz UMHFRBDIIKMDQT-UHFFFAOYSA-N 2 0 280.412 2.142 10 0 CEAERP COCC[N@H+](C)Cc1ccc(C[NH2+]C(C)C)cc1 ZINC000052572918 523624406 /nfs/dbraw/zinc/62/44/06/523624406.db2.gz VPODHZLTBXXAOX-UHFFFAOYSA-N 2 0 250.386 2.263 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083593 523952206 /nfs/dbraw/zinc/95/22/06/523952206.db2.gz YNQSGYYAQZYHMM-JKSUJKDBSA-N 2 0 267.461 2.325 10 0 CEAERP COc1ccc(CC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1OC ZINC000054627567 523952537 /nfs/dbraw/zinc/95/25/37/523952537.db2.gz AUBIHKFKEDSPRK-GOOCMWNKSA-N 2 0 290.407 2.200 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCC[NH2+]CC(C)C)CC1 ZINC000055073709 523953188 /nfs/dbraw/zinc/95/31/88/523953188.db2.gz OXQQWPNKNUNZQY-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP C[NH+](C)C1CCN([C@H](C[NH3+])c2cc3ccccc3o2)CC1 ZINC000068811255 524040893 /nfs/dbraw/zinc/04/08/93/524040893.db2.gz IMUFXTXTCVWHPB-OAHLLOKOSA-N 2 0 287.407 2.459 10 0 CEAERP C[NH+](C)CC1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000053428198 524049999 /nfs/dbraw/zinc/04/99/99/524049999.db2.gz HGAHZBGVFRZEQO-UHFFFAOYSA-N 2 0 281.469 2.111 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N(C)CCC[NH+]2CCCC2)C1 ZINC000050088919 524223428 /nfs/dbraw/zinc/22/34/28/524223428.db2.gz ZYXAATUHGQZWAR-HOTGVXAUSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H](C1CC1)[N@H+](C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181786 524320428 /nfs/dbraw/zinc/32/04/28/524320428.db2.gz BYTYCCLOTIFYAT-ZDUSSCGKSA-N 2 0 266.429 2.266 10 0 CEAERP C[C@@H](C[NH+]1CCCC1)n1c(N)[nH+]c2cc(F)ccc21 ZINC000049185000 524595295 /nfs/dbraw/zinc/59/52/95/524595295.db2.gz HWTZYGJQYOHBGR-JTQLQIEISA-N 2 0 262.332 2.414 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642752 525003493 /nfs/dbraw/zinc/00/34/93/525003493.db2.gz BUVJWQIZWHRDOY-GDBMZVCRSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC1(O)CC[NH2+]CC1 ZINC000062014413 526044365 /nfs/dbraw/zinc/04/43/65/526044365.db2.gz WLNFCTTVSREPMC-LBPRGKRZSA-N 2 0 282.815 2.447 10 0 CEAERP COc1cccc(N2CC[NH+](C3CCC([NH3+])CC3)CC2)c1 ZINC000055144271 526153778 /nfs/dbraw/zinc/15/37/78/526153778.db2.gz RACBPSBYXDVOGJ-UHFFFAOYSA-N 2 0 289.423 2.087 10 0 CEAERP C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(C[NH3+])CCOCC1 ZINC000052183503 526255842 /nfs/dbraw/zinc/25/58/42/526255842.db2.gz HZMNEFLKSCZROB-KBPBESRZSA-N 2 0 254.418 2.252 10 0 CEAERP c1ccc2c(c1)C[NH2+]C[C@H]2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069267446 526508382 /nfs/dbraw/zinc/50/83/82/526508382.db2.gz USRUHVRZTXYWJM-DOTOQJQBSA-N 2 0 271.408 2.001 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392122 536469157 /nfs/dbraw/zinc/46/91/57/536469157.db2.gz PVHYUEZHEZNCDN-CQSZACIVSA-N 2 0 265.376 2.076 10 0 CEAERP Cc1nc(N2CCC[N@@H+](C)CC2)sc1C[NH2+]C(C)(C)C ZINC000054968952 526964238 /nfs/dbraw/zinc/96/42/38/526964238.db2.gz CCLKRZKAIOAGQK-UHFFFAOYSA-N 2 0 296.484 2.482 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000068749658 527247279 /nfs/dbraw/zinc/24/72/79/527247279.db2.gz FAYNUOIUEWSSFA-INIZCTEOSA-N 2 0 268.364 2.272 10 0 CEAERP [NH3+]Cc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccn1 ZINC000061702262 527250465 /nfs/dbraw/zinc/25/04/65/527250465.db2.gz OPUCGSSADPTLMS-KRWDZBQOSA-N 2 0 283.375 2.194 10 0 CEAERP C[NH2+][C@H](C)c1ccccc1N1CCC([NH+](C)C)CC1 ZINC000036192377 536406486 /nfs/dbraw/zinc/40/64/86/536406486.db2.gz VERKZSXJWXHJJW-CYBMUJFWSA-N 2 0 261.413 2.497 10 0 CEAERP C[NH2+][C@H](C)c1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091394232 536406778 /nfs/dbraw/zinc/40/67/78/536406778.db2.gz HYMAITXIWBWTQH-KGLIPLIRSA-N 2 0 261.413 2.497 10 0 CEAERP C1CC1[NH+]1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757138109 574510108 /nfs/dbraw/zinc/51/01/08/574510108.db2.gz ASHIXBZKTMVZQD-TZMCWYRMSA-N 2 0 250.386 2.120 10 0 CEAERP Cc1nccn1C[C@@H]1CCCN1Cn1cc[nH]c1=S ZINC000176076217 623997654 /nfs/dbraw/zinc/99/76/54/623997654.db2.gz KJIHGBWZEUSBTE-LBPRGKRZSA-N 2 0 277.397 2.173 10 0 CEAERP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1CC[NH+](C)CC1 ZINC000094434172 628893571 /nfs/dbraw/zinc/89/35/71/628893571.db2.gz UYASRTZGLQPLDW-DLBZAZTESA-N 2 0 279.472 2.277 10 0 CEAERP C[NH+](C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CC[NH3+])cc1 ZINC000077302106 282113501 /nfs/dbraw/zinc/11/35/01/282113501.db2.gz BVLCLOZUZCYHGR-SFHVURJKSA-N 3 0 289.467 2.494 10 0 CEAERP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000037042503 361890865 /nfs/dbraw/zinc/89/08/65/361890865.db2.gz PEYWGOMEIDOGFQ-BXUZGUMPSA-N 2 0 263.385 2.060 10 0 CEAERP CCC1(C)CC[NH+]([C@H]2C[C@@H]([NH3+])C23CCOCC3)CC1 ZINC000725264608 539212860 /nfs/dbraw/zinc/21/28/60/539212860.db2.gz YDPXNNSDDFMCBN-KGLIPLIRSA-N 2 0 266.429 2.395 10 0 CEAERP C[N@H+]([C@H]1C[C@H]([NH3+])C12CCOCC2)C1CCCCC1 ZINC000725264542 539212866 /nfs/dbraw/zinc/21/28/66/539212866.db2.gz URQOCWJRGDULTF-KBPBESRZSA-N 2 0 252.402 2.147 10 0 CEAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCC1 ZINC000336700562 365765188 /nfs/dbraw/zinc/76/51/88/365765188.db2.gz DXSZODMUZRUEHA-QGZVFWFLSA-N 2 0 288.435 2.355 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000133181792 344367595 /nfs/dbraw/zinc/36/75/95/344367595.db2.gz STXBOSOJOWXJKM-INIZCTEOSA-N 2 0 275.396 2.219 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000251756467 344637439 /nfs/dbraw/zinc/63/74/39/344637439.db2.gz LOWGFGQQCHRUFT-KSSFIOAISA-N 2 0 285.435 2.001 10 0 CEAERP [NH3+]CC[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000306587028 344715333 /nfs/dbraw/zinc/71/53/33/344715333.db2.gz RWQBUFNDFSAZEG-SECBINFHSA-N 2 0 263.566 2.451 10 0 CEAERP [NH3+]CCC[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000584595176 344961425 /nfs/dbraw/zinc/96/14/25/344961425.db2.gz YLEVTOMVWTYKGB-DLBZAZTESA-N 2 0 270.376 2.400 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055086695 362544424 /nfs/dbraw/zinc/54/44/24/362544424.db2.gz IMTRCMGHLIQANY-ZNMIVQPWSA-N 2 0 283.460 2.131 10 0 CEAERP C[C@@H]1CC[C@@](C[NH3+])(N2CCC[C@@H]2C[NH+](C)C)C[C@@H]1C ZINC000084990000 178939558 /nfs/dbraw/zinc/93/95/58/178939558.db2.gz WZDWAGBWGYRHMP-QKPAOTATSA-N 2 0 267.461 2.166 10 0 CEAERP CCC1(CC)CC[NH+]([C@H](C)C[C@@](C)(O)C[NH3+])CC1 ZINC000085303335 179011363 /nfs/dbraw/zinc/01/13/63/179011363.db2.gz IZSVKRMTHCYPQL-ZIAGYGMSSA-N 2 0 256.434 2.377 10 0 CEAERP [NH3+]C[C@](O)(C[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000085302779 179011577 /nfs/dbraw/zinc/01/15/77/179011577.db2.gz QHWAXQQBOVPCAK-INIZCTEOSA-N 2 0 266.429 2.133 10 0 CEAERP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085361429 179033151 /nfs/dbraw/zinc/03/31/51/179033151.db2.gz MQTWVHZJTAFXJU-LSDHHAIUSA-N 2 0 275.396 2.204 10 0 CEAERP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085364039 179035350 /nfs/dbraw/zinc/03/53/50/179035350.db2.gz XFTRLNGOADSYGF-GJZGRUSLSA-N 2 0 275.396 2.204 10 0 CEAERP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1(C)C ZINC000085398040 179050684 /nfs/dbraw/zinc/05/06/84/179050684.db2.gz ZVTDNDFXTFWFCM-IHRRRGAJSA-N 2 0 254.418 2.121 10 0 CEAERP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C1(C)C ZINC000085400648 179051976 /nfs/dbraw/zinc/05/19/76/179051976.db2.gz JONBWYBHFHGVQB-SOUVJXGZSA-N 2 0 268.445 2.367 10 0 CEAERP CCCc1nc2c(n1[C@H](C[NH+](C)C)C(C)C)CC[NH2+]C2 ZINC000085573172 179098825 /nfs/dbraw/zinc/09/88/25/179098825.db2.gz DPGDPEAMYHLMHL-OAHLLOKOSA-N 2 0 278.444 2.240 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085574278 179099304 /nfs/dbraw/zinc/09/93/04/179099304.db2.gz BUEWLBBMUCMDSB-ZDUSSCGKSA-N 2 0 288.439 2.453 10 0 CEAERP C([C@H]1CCCCO1)[N@@H+]1CCC[NH2+]C2(CCCC2)C1 ZINC000085612616 179102970 /nfs/dbraw/zinc/10/29/70/179102970.db2.gz QDJHGJYYOAHMLW-CQSZACIVSA-N 2 0 252.402 2.164 10 0 CEAERP CCCO[C@@H]1CCC[N@@H+]([C@@](CC)(CN)C2CC2)C1 ZINC000086120430 179235023 /nfs/dbraw/zinc/23/50/23/179235023.db2.gz PGLVEFLRXLCQOV-CABCVRRESA-N 2 0 254.418 2.395 10 0 CEAERP CCC[NH+]1CCC(N2CC[NH2+][C@H](CC(C)C)C2)CC1 ZINC000086144535 179237547 /nfs/dbraw/zinc/23/75/47/179237547.db2.gz QLCGPZYGDMDGJI-OAHLLOKOSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@H](CC[NH+](C)C)N1CC[NH2+][C@H](C2CCCCC2)C1 ZINC000086144744 179237809 /nfs/dbraw/zinc/23/78/09/179237809.db2.gz BALSYJOPKMWMEF-ZBFHGGJFSA-N 2 0 267.461 2.181 10 0 CEAERP CC[C@H](C)[C@H]1CN(C2CC[NH+](C)CC2)[C@@H](CC)C[NH2+]1 ZINC000086153967 179241518 /nfs/dbraw/zinc/24/15/18/179241518.db2.gz ZDXYLNZSKYXPPC-OFQRWUPVSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086173720 179244886 /nfs/dbraw/zinc/24/48/86/179244886.db2.gz WSKQZAXNWOAKSW-YVSFHVDLSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[C@H]1CN(C[C@@H]2CC[N@@H+](C(C)C)C2)[C@@H](C)C[NH2+]1 ZINC000086174188 179245986 /nfs/dbraw/zinc/24/59/86/179245986.db2.gz YNQVXCNIHOCXBT-ARFHVFGLSA-N 2 0 267.461 2.035 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](c2ccccc2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223134 179251434 /nfs/dbraw/zinc/25/14/34/179251434.db2.gz OCPPGAMPWPXDEJ-NXHRZFHOSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@]1(C)C[N@H+](CCCC[NH+](C)C)[C@H](C(C)C)CN1 ZINC000086261045 179259948 /nfs/dbraw/zinc/25/99/48/179259948.db2.gz ANMYLAGHDYWBBU-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261053 179260018 /nfs/dbraw/zinc/26/00/18/179260018.db2.gz WLZSXEMPGKEGBB-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CNC2(CCCC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261096 179260054 /nfs/dbraw/zinc/26/00/54/179260054.db2.gz HEFIVWIXRPTKTQ-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@H]1C[N@H+](CCc2ccc(OC)cc2)CCC[NH2+]1 ZINC000086269446 179262014 /nfs/dbraw/zinc/26/20/14/179262014.db2.gz AIIJNTHNQMZTCZ-HNNXBMFYSA-N 2 0 262.397 2.312 10 0 CEAERP c1ccc([C@H]2CN([C@@H]3C[NH+]4CCC3CC4)CCC[NH2+]2)cc1 ZINC000086285953 179263902 /nfs/dbraw/zinc/26/39/02/179263902.db2.gz KWTXVOQZGDDTII-QZTJIDSGSA-N 2 0 285.435 2.117 10 0 CEAERP C[C@@H]([C@H]1CCCO1)[N@@H+]1CCC[NH2+][C@H](C(C)(C)C)C1 ZINC000086287104 179264054 /nfs/dbraw/zinc/26/40/54/179264054.db2.gz ZJVFJQJVDIADGF-MJBXVCDLSA-N 2 0 254.418 2.264 10 0 CEAERP C[NH+](C)CCCN1CCC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086286967 179264267 /nfs/dbraw/zinc/26/42/67/179264267.db2.gz DHYQSNPIZBXGGH-QGZVFWFLSA-N 2 0 275.440 2.149 10 0 CEAERP CC(C)[C@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCC[N@H+](C)C1 ZINC000086259206 179257636 /nfs/dbraw/zinc/25/76/36/179257636.db2.gz ZFLSCRZRLAVYLQ-KBAYOESNSA-N 2 0 293.499 2.427 10 0 CEAERP C1CCC2(CC1)C[N@@H+]([C@H]1CCCOC1)CCC[NH2+]2 ZINC000086297579 179267412 /nfs/dbraw/zinc/26/74/12/179267412.db2.gz IQZIRJDPCBOLCX-AWEZNQCLSA-N 2 0 252.402 2.164 10 0 CEAERP CC(C)[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H](C)CS2)C1 ZINC000086633221 179315126 /nfs/dbraw/zinc/31/51/26/179315126.db2.gz JMIJXMCWHDVWOE-VXGBXAGGSA-N 2 0 255.431 2.045 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)[NH2+][C@@H](COC)C(C)C)C1 ZINC000086695649 179320812 /nfs/dbraw/zinc/32/08/12/179320812.db2.gz WXDZOGLKUJDLSN-ILXRZTDVSA-N 2 0 256.434 2.367 10 0 CEAERP CCN(c1ccccc1F)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819532 179348033 /nfs/dbraw/zinc/34/80/33/179348033.db2.gz LGPBHQAIILNAIH-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP Cc1ccc(CN(C)[C@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819254 179348143 /nfs/dbraw/zinc/34/81/43/179348143.db2.gz HIZXSPBNSOKTHI-QGZVFWFLSA-N 2 0 275.440 2.240 10 0 CEAERP C[N@@H+]1CCC[C@](C[NH3+])(N2CCC3(CCCC3)CC2)CC1 ZINC000086819597 179348386 /nfs/dbraw/zinc/34/83/86/179348386.db2.gz LXDNDIFMZCCIEJ-KRWDZBQOSA-N 2 0 279.472 2.456 10 0 CEAERP CCN(c1ccc(F)cc1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819534 179348827 /nfs/dbraw/zinc/34/88/27/179348827.db2.gz UXQAHRVAZHXRRX-MRXNPFEDSA-N 2 0 279.403 2.465 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2csc(C)n2)CC1 ZINC000086848241 179357288 /nfs/dbraw/zinc/35/72/88/179357288.db2.gz CXZYPABYSGYUAA-OAHLLOKOSA-N 2 0 296.484 2.087 10 0 CEAERP CC(C)C[C@H]([NH2+][C@H]1CCC[N@@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837770 179351466 /nfs/dbraw/zinc/35/14/66/179351466.db2.gz MPONQWBDSBPATF-HOTGVXAUSA-N 2 0 297.487 2.342 10 0 CEAERP CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842534 179352478 /nfs/dbraw/zinc/35/24/78/179352478.db2.gz GLEGWFGFMJWOFT-HUUCEWRRSA-N 2 0 256.434 2.246 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000086840624 179352890 /nfs/dbraw/zinc/35/28/90/179352890.db2.gz OVBZJASENFLZCV-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)CC1 ZINC000086841923 179354062 /nfs/dbraw/zinc/35/40/62/179354062.db2.gz APJOEPRZMJZABE-HOTGVXAUSA-N 2 0 274.408 2.454 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH2+]CCOCC(F)(F)F)CC1 ZINC000086845191 179354518 /nfs/dbraw/zinc/35/45/18/179354518.db2.gz VAUPCHZIWCOFTD-GFCCVEGCSA-N 2 0 282.350 2.419 10 0 CEAERP CCC[N@@H+]1CCC[C@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850954 179358446 /nfs/dbraw/zinc/35/84/46/179358446.db2.gz OCBITAXPYDTBAK-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP C[C@H]1CCC[C@](C[NH3+])(N(C)CCC[NH+](C)C)CC1 ZINC000086891454 179366028 /nfs/dbraw/zinc/36/60/28/179366028.db2.gz WKLFHSKKJRSIFZ-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CCC([NH+](C)C)CC2)CC1 ZINC000086890715 179366444 /nfs/dbraw/zinc/36/64/44/179366444.db2.gz ZALAAADOGYBXBH-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000087016494 179380382 /nfs/dbraw/zinc/38/03/82/179380382.db2.gz VZBUSRMXRDYEPX-CQSZACIVSA-N 2 0 254.418 2.144 10 0 CEAERP C[N@@H+]1CCC[C@@H](C[NH2+]CC2(O)CCC(C)(C)CC2)C1 ZINC000087045996 179388179 /nfs/dbraw/zinc/38/81/79/179388179.db2.gz LRFLZHDRVDMZPP-AWEZNQCLSA-N 2 0 268.445 2.249 10 0 CEAERP C[C@@H]1CCC[C@@](O)(C[NH2+]CCC[NH+]2CCCC2)C1 ZINC000087064892 179389923 /nfs/dbraw/zinc/38/99/23/179389923.db2.gz HWMFFINWOATIEN-CABCVRRESA-N 2 0 254.418 2.003 10 0 CEAERP COc1c(C)c[nH+]c(C[C@@](C)(O)[C@@H]2CCC[NH2+]C2)c1C ZINC000087172679 179399144 /nfs/dbraw/zinc/39/91/44/179399144.db2.gz UTCTYFPXZJPZRU-CZUORRHYSA-N 2 0 278.396 2.000 10 0 CEAERP [NH3+][C@H](Cc1ccccc1)[C@H](O)C[NH+]1CCCCCCC1 ZINC000088397333 179591785 /nfs/dbraw/zinc/59/17/85/179591785.db2.gz IHYYOSAWRZLPSY-IAGOWNOFSA-N 2 0 276.424 2.183 10 0 CEAERP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH3+] ZINC000089144629 179722281 /nfs/dbraw/zinc/72/22/81/179722281.db2.gz BJWVCAHXCDMYOD-KGLIPLIRSA-N 2 0 299.459 2.398 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089456775 539717457 /nfs/dbraw/zinc/71/74/57/539717457.db2.gz KCPFQEXNUMJVDX-JKSUJKDBSA-N 2 0 297.487 2.188 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC000090566001 180005917 /nfs/dbraw/zinc/00/59/17/180005917.db2.gz FRBKQGDKZHTMPP-CVEARBPZSA-N 2 0 262.397 2.133 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[N@H+](C)CC1CCCC1 ZINC000090566973 180006490 /nfs/dbraw/zinc/00/64/90/180006490.db2.gz RLHKTGRDCJXBLK-CABCVRRESA-N 2 0 254.418 2.123 10 0 CEAERP CCC1(CC)CC[NH+](C[C@]2(C)COC[C@@H]2[NH3+])CC1 ZINC000090621032 180013941 /nfs/dbraw/zinc/01/39/41/180013941.db2.gz UXMLQYIXUXDWOI-UONOGXRCSA-N 2 0 254.418 2.252 10 0 CEAERP C[C@@H](C(=O)N1CCCCCC1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693451 180025592 /nfs/dbraw/zinc/02/55/92/180025592.db2.gz SONAWNQXPPXGLM-HOTGVXAUSA-N 2 0 295.471 2.242 10 0 CEAERP CC[N@H+](C[C@@H]1Cc2ccccc2O1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000090876294 180052196 /nfs/dbraw/zinc/05/21/96/180052196.db2.gz KLNAMBVBFVEMGS-OWCLPIDISA-N 2 0 274.408 2.439 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+]C[C@H]1Cc2cc(F)ccc2O1 ZINC000090892504 180053911 /nfs/dbraw/zinc/05/39/11/180053911.db2.gz FMXZVSIQAVNOIJ-BXUZGUMPSA-N 2 0 266.360 2.059 10 0 CEAERP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H]2Cc3cc(C)ccc3O2)C1 ZINC000090897439 180057427 /nfs/dbraw/zinc/05/74/27/180057427.db2.gz SGJYMRIFSRFEMH-HOCLYGCPSA-N 2 0 274.408 2.230 10 0 CEAERP C[NH2+]CC1(CN2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC000091433157 180153808 /nfs/dbraw/zinc/15/38/08/180153808.db2.gz LQMIKGSDALHZRB-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP C[N@H+](CC1CC(O)C1)CC(C)(C)C[NH2+]C(C)(C)C ZINC000091489765 180168969 /nfs/dbraw/zinc/16/89/69/180168969.db2.gz PEAJZJXRDCEGFM-UHFFFAOYSA-N 2 0 256.434 2.103 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091405554 180147104 /nfs/dbraw/zinc/14/71/04/180147104.db2.gz CDADFBCNMYBZDF-CABCVRRESA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000091404889 180147304 /nfs/dbraw/zinc/14/73/04/180147304.db2.gz YUMXRLRIYIZQNV-HUUCEWRRSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN(C)CCC[NH+](C)C ZINC000091405163 180147531 /nfs/dbraw/zinc/14/75/31/180147531.db2.gz JQVPFYUKSGRDGX-AWEZNQCLSA-N 2 0 257.466 2.284 10 0 CEAERP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000091545260 180186700 /nfs/dbraw/zinc/18/67/00/180186700.db2.gz WKROAUPXSUSWNL-KOLCDFICSA-N 2 0 250.308 2.388 10 0 CEAERP CCn1cc(C[C@@H]([NH2+]C)C2([NH+]3CCCC3)CCCC2)cn1 ZINC000091640908 180213276 /nfs/dbraw/zinc/21/32/76/180213276.db2.gz MMTKHFVHSAEKCE-MRXNPFEDSA-N 2 0 290.455 2.442 10 0 CEAERP CCC[NH2+][C@H](CC[NH+](CC)CC)Cc1cccnc1N ZINC000091716835 180232546 /nfs/dbraw/zinc/23/25/46/180232546.db2.gz IWOKZFWRUWJTDL-OAHLLOKOSA-N 2 0 278.444 2.306 10 0 CEAERP Cc1ccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000091720653 180235539 /nfs/dbraw/zinc/23/55/39/180235539.db2.gz FFAIXISHHXGASZ-PMPSAXMXSA-N 2 0 260.381 2.166 10 0 CEAERP [NH3+][C@H](Cc1ccccc1Cl)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720638 180235793 /nfs/dbraw/zinc/23/57/93/180235793.db2.gz HLVNLKODHUAOMH-YUELXQCFSA-N 2 0 280.799 2.073 10 0 CEAERP CCc1ccc([C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000091720701 180236669 /nfs/dbraw/zinc/23/66/69/180236669.db2.gz LWCCYUUYAGMGQU-PMPSAXMXSA-N 2 0 260.381 2.112 10 0 CEAERP CC[N@H+]([C@H](C)C(=O)NCCC(C)C)C1CCC([NH3+])CC1 ZINC000091850639 180272409 /nfs/dbraw/zinc/27/24/09/180272409.db2.gz NFCZYDVZPPLSAK-WLYUNCDWSA-N 2 0 283.460 2.129 10 0 CEAERP CCC(CC)NC(=O)[C@@H](C)[N@H+](CC)C1CCC([NH3+])CC1 ZINC000091851010 180272494 /nfs/dbraw/zinc/27/24/94/180272494.db2.gz RIAFSDAKTHTGRI-DNOWBOINSA-N 2 0 283.460 2.272 10 0 CEAERP CCC[N@H+](CC(=O)N[C@H](C)C(C)C)C1CCC([NH3+])CC1 ZINC000091852450 180272762 /nfs/dbraw/zinc/27/27/62/180272762.db2.gz VNRCCISXOIBRAI-WLYUNCDWSA-N 2 0 283.460 2.129 10 0 CEAERP CC(C)[C@@H]1C[C@H]([N@H+](C)C2CCC([NH3+])CC2)CCO1 ZINC000091843994 180269498 /nfs/dbraw/zinc/26/94/98/180269498.db2.gz LAYPZJAHGSFMDH-CVSAEHQPSA-N 2 0 254.418 2.392 10 0 CEAERP C[N@H+](Cc1nc2ccccc2[nH]1)C1CCC([NH3+])CC1 ZINC000091847141 180269930 /nfs/dbraw/zinc/26/99/30/180269930.db2.gz MYXXVFBVUQLSRL-UHFFFAOYSA-N 2 0 258.369 2.265 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC2(O)CCCCC2)CC1 ZINC000091870572 180277247 /nfs/dbraw/zinc/27/72/47/180277247.db2.gz SFSMIVLWHVUYRT-UHFFFAOYSA-N 2 0 254.418 2.144 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2nnc(C(C)(C)C)o2)CC1 ZINC000091873212 180277828 /nfs/dbraw/zinc/27/78/28/180277828.db2.gz CZVXGDMRIMMJPZ-UHFFFAOYSA-N 2 0 280.416 2.330 10 0 CEAERP C[NH2+]C1CCC([NH2+]c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000091873443 180278247 /nfs/dbraw/zinc/27/82/47/180278247.db2.gz SBXBXZGJNCMERZ-UHFFFAOYSA-N 2 0 271.364 2.471 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000091906426 180284106 /nfs/dbraw/zinc/28/41/06/180284106.db2.gz HVPIYFKGWLSNEH-CABCVRRESA-N 2 0 268.445 2.377 10 0 CEAERP CCC[NH2+]Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc1 ZINC000092003254 180304790 /nfs/dbraw/zinc/30/47/90/180304790.db2.gz FJSNPBDQSRYLHT-CVEARBPZSA-N 2 0 288.439 2.254 10 0 CEAERP CCC[NH2+]Cc1coc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000092003791 180304804 /nfs/dbraw/zinc/30/48/04/180304804.db2.gz NUKJAWDLHUEDOU-CVEARBPZSA-N 2 0 291.439 2.448 10 0 CEAERP CC(C)[C@H]1CSC(NC[C@H]2CCCC[N@@H+]2C)=[NH+]1 ZINC000092402491 180377543 /nfs/dbraw/zinc/37/75/43/180377543.db2.gz QHKRWPHJUSYDQY-VXGBXAGGSA-N 2 0 255.431 2.188 10 0 CEAERP CC[NH+]1CCC(N(C)C(=[NH2+])Nc2ccccc2)CC1 ZINC000107075255 186159244 /nfs/dbraw/zinc/15/92/44/186159244.db2.gz OEKIWULCQLSNFY-UHFFFAOYSA-N 2 0 260.385 2.449 10 0 CEAERP Cc1ccc(SCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107573179 186179249 /nfs/dbraw/zinc/17/92/49/186179249.db2.gz CRXUTWMROXGYSX-ZIAGYGMSSA-N 2 0 262.422 2.238 10 0 CEAERP C[C@H]([NH3+])c1ccccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000109572455 186263857 /nfs/dbraw/zinc/26/38/57/186263857.db2.gz XWEUJCSMXDDYEW-UONOGXRCSA-N 2 0 259.397 2.381 10 0 CEAERP C[NH+](C)CC1CC[NH+](Cc2c(N)cccc2F)CC1 ZINC000109427487 186251251 /nfs/dbraw/zinc/25/12/51/186251251.db2.gz UGCMSECVQQERHA-UHFFFAOYSA-N 2 0 265.376 2.182 10 0 CEAERP CCc1nc(N2CC[C@H]([NH+](CC)CC)C2)sc1C[NH2+]C ZINC000110275541 186289738 /nfs/dbraw/zinc/28/97/38/186289738.db2.gz WMZUFCGRUMLFOI-LBPRGKRZSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(CCC[C@@H]2CCC[NH2+]C2)C1 ZINC000110370823 186294764 /nfs/dbraw/zinc/29/47/64/186294764.db2.gz QBRHJAJNZLJMRP-HOTGVXAUSA-N 2 0 267.461 2.182 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(C[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000110370669 186294936 /nfs/dbraw/zinc/29/49/36/186294936.db2.gz VBEIGQXKLYNMJU-QAETUUGQSA-N 2 0 279.472 2.323 10 0 CEAERP Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110704811 186314061 /nfs/dbraw/zinc/31/40/61/186314061.db2.gz YBNCGJMWYYCVIB-GDBMZVCRSA-N 2 0 275.440 2.409 10 0 CEAERP C[C@@H]1CN([C@@H](C[NH3+])c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000110707167 186314249 /nfs/dbraw/zinc/31/42/49/186314249.db2.gz OTLNSOODKGOSSJ-YGRLFVJLSA-N 2 0 285.794 2.115 10 0 CEAERP COc1ccc([C@@H]([C@H](C)[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110704708 186314933 /nfs/dbraw/zinc/31/49/33/186314933.db2.gz VDKHMLKETKHVBN-XJKSGUPXSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110705281 186315115 /nfs/dbraw/zinc/31/51/15/186315115.db2.gz RCSQEHZDKKOIHR-IUODEOHRSA-N 2 0 279.403 2.240 10 0 CEAERP COc1ccc([C@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000110711645 186316210 /nfs/dbraw/zinc/31/62/10/186316210.db2.gz AVQFIQNSARUIET-HNNXBMFYSA-N 2 0 291.439 2.029 10 0 CEAERP CCC[NH2+][C@@H](CN1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000110717252 186316404 /nfs/dbraw/zinc/31/64/04/186316404.db2.gz ZNXRQLJZAKBGTE-AWEZNQCLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H]1CCCC[C@H]1CN1CC[N@H+](C)C(C)(C)C1 ZINC000110747006 186322209 /nfs/dbraw/zinc/32/22/09/186322209.db2.gz JBEMBINIQDSQCH-LSDHHAIUSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](CC)CCOCC ZINC000111123776 186354787 /nfs/dbraw/zinc/35/47/87/186354787.db2.gz RCZCLZYINAMXHR-UHFFFAOYSA-N 2 0 254.374 2.248 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(C)CCC[NH+](C)C ZINC000111131399 186356355 /nfs/dbraw/zinc/35/63/55/186356355.db2.gz UATZDOWZBPVHPO-HOTGVXAUSA-N 2 0 281.419 2.488 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000111132408 186356594 /nfs/dbraw/zinc/35/65/94/186356594.db2.gz BLKADLMTDWPAHW-GFCCVEGCSA-N 2 0 290.238 2.487 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)CCC[NH+](C)C ZINC000111131167 186356660 /nfs/dbraw/zinc/35/66/60/186356660.db2.gz OKHALBQTSRZFQH-CVEARBPZSA-N 2 0 281.419 2.488 10 0 CEAERP CN(CC[NH+](C)C)[C@H](C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000111132466 186356783 /nfs/dbraw/zinc/35/67/83/186356783.db2.gz IGBZJYUHJYANIJ-CYBMUJFWSA-N 2 0 289.345 2.199 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N(C)CCC[NH+](C)C ZINC000111136748 186357119 /nfs/dbraw/zinc/35/71/19/186357119.db2.gz BTBXRNLDSOUIOT-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccccc1C ZINC000111136176 186357362 /nfs/dbraw/zinc/35/73/62/186357362.db2.gz KWOPTWZRFIQVJA-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP CC[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111136053 186357386 /nfs/dbraw/zinc/35/73/86/186357386.db2.gz GDBHVGCKTATYHT-INIZCTEOSA-N 2 0 263.429 2.221 10 0 CEAERP CCCOc1ccc([C@@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134572 186357468 /nfs/dbraw/zinc/35/74/68/186357468.db2.gz PKAFXHHTDOLMCX-QGZVFWFLSA-N 2 0 293.455 2.229 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1ccc(C)cc1 ZINC000111136461 186357934 /nfs/dbraw/zinc/35/79/34/186357934.db2.gz MQWBVWMUWUYVFS-MRXNPFEDSA-N 2 0 263.429 2.139 10 0 CEAERP CN(CC[NH+](C)C)[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000111135195 186358001 /nfs/dbraw/zinc/35/80/01/186358001.db2.gz RRNLOMZIBWRNOB-HZSPNIEDSA-N 2 0 255.450 2.022 10 0 CEAERP C[NH+](C)CCC[N@H+](C)C[C@H](O)C12CC3CC(CC(C3)C1)C2 ZINC000111143703 186358337 /nfs/dbraw/zinc/35/83/37/186358337.db2.gz MAHYBLNNRCCTMF-LESVLKBLSA-N 2 0 294.483 2.447 10 0 CEAERP CC[NH2+][C@H](CCN(C)CC[NH+](C)C)c1ccccc1F ZINC000111147279 186358755 /nfs/dbraw/zinc/35/87/55/186358755.db2.gz ALJBYVQSNYCHFX-MRXNPFEDSA-N 2 0 281.419 2.360 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)CCC[NH+](C)C)oc1C ZINC000111150181 186359873 /nfs/dbraw/zinc/35/98/73/186359873.db2.gz RNOJYIIAVAPUQO-UHFFFAOYSA-N 2 0 281.444 2.471 10 0 CEAERP C[NH2+][C@H]1CC(C)(C)Cc2nc(N(C)CC[NH+](C)C)sc21 ZINC000111151327 186360359 /nfs/dbraw/zinc/36/03/59/186360359.db2.gz OSAMLBHAGUONLK-NSHDSACASA-N 2 0 296.484 2.374 10 0 CEAERP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccccc2)CCCOC1 ZINC000111324138 186396831 /nfs/dbraw/zinc/39/68/31/186396831.db2.gz WYJBYVTYLPAXMK-INIZCTEOSA-N 2 0 262.397 2.135 10 0 CEAERP CC(C)C[NH2+]C[C@]1(C[N@H+](C)C2CCOCC2)CCCOC1 ZINC000111325750 186398213 /nfs/dbraw/zinc/39/82/13/186398213.db2.gz KAZGXOARPVGJTB-KRWDZBQOSA-N 2 0 298.471 2.140 10 0 CEAERP C[N@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C1CCCC1 ZINC000111324825 186398256 /nfs/dbraw/zinc/39/82/56/186398256.db2.gz XRCXOECNCFCOTE-MRXNPFEDSA-N 2 0 266.429 2.410 10 0 CEAERP C[N@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325766 186398492 /nfs/dbraw/zinc/39/84/92/186398492.db2.gz FOAFQYMRNRCKKK-KRWDZBQOSA-N 2 0 298.471 2.282 10 0 CEAERP C[N@H+](Cc1cccc(F)c1)C[C@]1(C[NH3+])CCCOC1 ZINC000111324511 186398700 /nfs/dbraw/zinc/39/87/00/186398700.db2.gz ZXKZCEQMKZRBBX-OAHLLOKOSA-N 2 0 266.360 2.013 10 0 CEAERP CC1(C)CCC[N@@H+]1C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111329499 186399793 /nfs/dbraw/zinc/39/97/93/186399793.db2.gz IDEJECLGNJIVHP-INIZCTEOSA-N 2 0 266.429 2.410 10 0 CEAERP Cc1ccsc1[C@@H](C[NH3+])N1CC[N@@H+](C)C(C)(C)C1 ZINC000111237360 186372946 /nfs/dbraw/zinc/37/29/46/186372946.db2.gz DCLPZVGXYVAZKB-GFCCVEGCSA-N 2 0 267.442 2.082 10 0 CEAERP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111273359 186384689 /nfs/dbraw/zinc/38/46/89/186384689.db2.gz UZRDATSBGDHCBF-HOTUBEGUSA-N 2 0 253.415 2.266 10 0 CEAERP CC[C@@H]([NH3+])Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000111496677 186423525 /nfs/dbraw/zinc/42/35/25/186423525.db2.gz QPVKZTOHDZMUGE-NVXWUHKLSA-N 2 0 275.440 2.497 10 0 CEAERP C[C@H]([NH3+])CC[NH2+]Cc1cc(Br)cs1 ZINC000070600569 363100525 /nfs/dbraw/zinc/10/05/25/363100525.db2.gz OMVZDVYAYPSLGU-ZETCQYMHSA-N 2 0 263.204 2.338 10 0 CEAERP C[NH+](C)CCOc1cccc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000133682585 366247161 /nfs/dbraw/zinc/24/71/61/366247161.db2.gz DOQGCGVJMNHPMO-AWEZNQCLSA-N 2 0 277.412 2.181 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(F)cc1Br ZINC000575440374 366287407 /nfs/dbraw/zinc/28/74/07/366287407.db2.gz QXIGOWKJQZDIHD-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP COc1cc(Br)ccc1[C@@H]([NH3+])CCC[NH3+] ZINC000575439489 366287442 /nfs/dbraw/zinc/28/74/42/366287442.db2.gz APNWICJHZKDAGE-JTQLQIEISA-N 2 0 273.174 2.196 10 0 CEAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000570832314 299280451 /nfs/dbraw/zinc/28/04/51/299280451.db2.gz HVRQGHJISCIEMC-RYQLBKOJSA-N 2 0 287.451 2.239 10 0 CEAERP C[NH+](C)CCn1cccc1[C@@H]([NH3+])Cc1ccccc1 ZINC000011848793 361365996 /nfs/dbraw/zinc/36/59/96/361365996.db2.gz BQBCUPTXSPOULJ-HNNXBMFYSA-N 2 0 257.381 2.292 10 0 CEAERP CCC[N@H+](CCC[NH3+])[C@H]1CCc2c(O)cccc2C1 ZINC000027998587 361665305 /nfs/dbraw/zinc/66/53/05/361665305.db2.gz STZVDNIQZPXBQC-AWEZNQCLSA-N 2 0 262.397 2.310 10 0 CEAERP c1cc(CN2CC[C@H](CNc3ccccn3)C2)no1 ZINC000157742706 366848590 /nfs/dbraw/zinc/84/85/90/366848590.db2.gz PZCBESFSKIQBAX-GFCCVEGCSA-N 2 0 258.325 2.004 10 0 CEAERP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1CCCCC1 ZINC000245437983 370819764 /nfs/dbraw/zinc/81/97/64/370819764.db2.gz RVVBDSTYCHGDGB-CVEARBPZSA-N 2 0 265.445 2.031 10 0 CEAERP C[C@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000631843129 367585407 /nfs/dbraw/zinc/58/54/07/367585407.db2.gz JNZPMSNPASYRFN-NWDGAFQWSA-N 2 0 268.788 2.245 10 0 CEAERP COc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000634998244 369029458 /nfs/dbraw/zinc/02/94/58/369029458.db2.gz CLXNHPMXIMWRPW-OCCSQVGLSA-N 2 0 278.396 2.039 10 0 CEAERP COC[C@@H](CCC[NH3+])[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000234710625 370540259 /nfs/dbraw/zinc/54/02/59/370540259.db2.gz OJEZXWUFHOTTLS-BAPHQMLMSA-N 2 0 266.429 2.155 10 0 CEAERP O[C@@]12CCCC[C@H]1C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000249308322 371313318 /nfs/dbraw/zinc/31/33/18/371313318.db2.gz DIGTZKNKIZILCP-DLBZAZTESA-N 2 0 280.456 2.489 10 0 CEAERP C(CN1CC[N@@H+]2CCCC[C@H]2C1)C[NH+]1CCCCC1 ZINC000249378987 371317163 /nfs/dbraw/zinc/31/71/63/371317163.db2.gz OPVXJYZXLHIACF-INIZCTEOSA-N 2 0 265.445 2.033 10 0 CEAERP Cc1[nH+]ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1Cl ZINC000261558487 371645456 /nfs/dbraw/zinc/64/54/56/371645456.db2.gz SOTNPCSKTFKCAF-MNOVXSKESA-N 2 0 251.761 2.374 10 0 CEAERP COCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[C@H](C)C1 ZINC000261927689 371772287 /nfs/dbraw/zinc/77/22/87/371772287.db2.gz LEHHLRIKAVTNIE-RRFJBIMHSA-N 2 0 254.418 2.123 10 0 CEAERP C[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1[NH3+] ZINC000261925472 371772993 /nfs/dbraw/zinc/77/29/93/371772993.db2.gz CBKAFCSPQMYMTL-WBVHZDCISA-N 2 0 289.467 2.424 10 0 CEAERP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262006945 371797338 /nfs/dbraw/zinc/79/73/38/371797338.db2.gz VDZPDLVTHHUNIR-RFBLXINOSA-N 2 0 266.429 2.312 10 0 CEAERP CC(C)OC1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000643475784 373144285 /nfs/dbraw/zinc/14/42/85/373144285.db2.gz LNKOZPHDPWRDKJ-NFOMZHRRSA-N 2 0 254.418 2.454 10 0 CEAERP CCN1CC[C@H]([NH2+][C@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000389156383 375298869 /nfs/dbraw/zinc/29/88/69/375298869.db2.gz KTWGBRVMTCVRAX-SZMVWBNQSA-N 2 0 287.451 2.333 10 0 CEAERP C[NH+](C)C1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185181081 542302732 /nfs/dbraw/zinc/30/27/32/542302732.db2.gz SPTFIGICDLRVCN-UHFFFAOYSA-N 2 0 293.430 2.284 10 0 CEAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1OC ZINC000400712257 533173490 /nfs/dbraw/zinc/17/34/90/533173490.db2.gz MNZKQZSDVBLIJI-OBJOEFQTSA-N 2 0 278.396 2.352 10 0 CEAERP CC[NH2+][C@@]1(CO)CCC[C@H]1CC[N@H+](CC1CC1)C1CC1 ZINC000093618121 184696802 /nfs/dbraw/zinc/69/68/02/184696802.db2.gz VQDLVQWELMDQBZ-DOTOQJQBSA-N 2 0 280.456 2.392 10 0 CEAERP C[NH+](C)C(C)(C)COc1cc(C(N)=[NH2+])c2ccccc2n1 ZINC000093955183 184745844 /nfs/dbraw/zinc/74/58/44/184745844.db2.gz GEAZABNPZOITRO-UHFFFAOYSA-N 2 0 286.379 2.238 10 0 CEAERP CC[C@H]1C[C@H]([N@H+](CC)CC2CC[NH2+]CC2)CCO1 ZINC000094011430 184750707 /nfs/dbraw/zinc/75/07/07/184750707.db2.gz WFUSWXGCACXVGG-CABCVRRESA-N 2 0 254.418 2.266 10 0 CEAERP [NH3+]C1CCC([NH2+]CCCn2cnc3ccccc32)CC1 ZINC000094074976 184754285 /nfs/dbraw/zinc/75/42/85/184754285.db2.gz CCOYKOSZOOAICD-UHFFFAOYSA-N 2 0 272.396 2.286 10 0 CEAERP CC[C@H]([NH3+])Cc1ccc(OCC[NH+](CC)CC)cn1 ZINC000094216387 184764042 /nfs/dbraw/zinc/76/40/42/184764042.db2.gz UKMVLSBEUZVPDD-ZDUSSCGKSA-N 2 0 265.401 2.082 10 0 CEAERP CN(CC[NH+]1CCCC1)[C@]1(C[NH3+])CCCCC1(C)C ZINC000094281217 184775046 /nfs/dbraw/zinc/77/50/46/184775046.db2.gz SVSUKIGUNHJIBP-INIZCTEOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[NH2+][C@@H]1[C@@H](N2CCC[C@H]([NH+](C)C)C2)CCC1(C)C ZINC000094306708 184778876 /nfs/dbraw/zinc/77/88/76/184778876.db2.gz UWEMSDIUKDHDND-SOUVJXGZSA-N 2 0 267.461 2.179 10 0 CEAERP Cc1cc(N(C)CC[NH+](C)C)c([C@@H](C)[NH3+])cc1F ZINC000094766721 184856482 /nfs/dbraw/zinc/85/64/82/184856482.db2.gz OCVRGYPOTOWPGC-LLVKDONJSA-N 2 0 253.365 2.152 10 0 CEAERP COc1ccc2c(c1)CC[C@@H](SCC[NH+](C)C)[C@H]2[NH3+] ZINC000095021382 184917402 /nfs/dbraw/zinc/91/74/02/184917402.db2.gz JEPWHIRIKVPOGS-CABCVRRESA-N 2 0 280.437 2.305 10 0 CEAERP CCC[NH2+]Cc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1F ZINC000097879150 134514679 /nfs/dbraw/zinc/51/46/79/134514679.db2.gz QSZDIPRSGCENIS-AWEZNQCLSA-N 2 0 294.418 2.251 10 0 CEAERP CC(C)C[C@@H](C[NH3+])CC[NH+]1CCN(c2ccccn2)CC1 ZINC000088290130 135054021 /nfs/dbraw/zinc/05/40/21/135054021.db2.gz VAJCUQQYLZZUOD-INIZCTEOSA-N 2 0 290.455 2.215 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091394290 135068951 /nfs/dbraw/zinc/06/89/51/135068951.db2.gz CXTUGSZTIUWQSV-OAHLLOKOSA-N 2 0 261.413 2.327 10 0 CEAERP Cc1cc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c2ccccc2[nH+]1 ZINC000262458200 394617996 /nfs/dbraw/zinc/61/79/96/394617996.db2.gz IGOAVWDPPUCNCG-OAHLLOKOSA-N 2 0 296.418 2.027 10 0 CEAERP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000381143300 395172940 /nfs/dbraw/zinc/17/29/40/395172940.db2.gz KAPLKHCSBTUSRI-USXIJHARSA-N 2 0 274.408 2.351 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCC([NH3+])CC1 ZINC000037623034 400117592 /nfs/dbraw/zinc/11/75/92/400117592.db2.gz YGEPZKJXVUAQMF-WLYUNCDWSA-N 2 0 283.460 2.131 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000223146849 153315702 /nfs/dbraw/zinc/31/57/02/153315702.db2.gz VYPXURNRGMILLR-SOUVJXGZSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000165700076 162344140 /nfs/dbraw/zinc/34/41/40/162344140.db2.gz MCWCZBPYNSSYOU-CABCVRRESA-N 2 0 295.471 2.084 10 0 CEAERP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000178976956 165267221 /nfs/dbraw/zinc/26/72/21/165267221.db2.gz UPWUWRHFEGNYCQ-ZUOKHONESA-N 2 0 294.464 2.416 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(C)c2)CC1 ZINC000020179463 171043989 /nfs/dbraw/zinc/04/39/89/171043989.db2.gz IPHLYMUDQOOKQT-MRXNPFEDSA-N 2 0 261.413 2.022 10 0 CEAERP CCC[NH+]1CCN([C@H](C[NH3+])c2ccc(C)cc2)CC1 ZINC000020179482 171044286 /nfs/dbraw/zinc/04/42/86/171044286.db2.gz PAGYUBWFILYICZ-MRXNPFEDSA-N 2 0 261.413 2.022 10 0 CEAERP CC[C@H](C)C[C@@](CC)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020217718 171080627 /nfs/dbraw/zinc/08/06/27/171080627.db2.gz CBYXFOQSWRYYQD-GJZGRUSLSA-N 2 0 255.450 2.168 10 0 CEAERP [NH3+]C[C@H](c1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000020225414 171088102 /nfs/dbraw/zinc/08/81/02/171088102.db2.gz CVULYMKTEFSIBV-GOSISDBHSA-N 2 0 287.451 2.494 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@@H](C)N2CCC[N@H+](C)CC2)cc1 ZINC000020260533 171116605 /nfs/dbraw/zinc/11/66/05/171116605.db2.gz LFZWFZJYTMTLHW-ZBFHGGJFSA-N 2 0 261.413 2.021 10 0 CEAERP C[N@@H+]1CCCN([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])CC1 ZINC000020260623 171117507 /nfs/dbraw/zinc/11/75/07/171117507.db2.gz BLUPYFWIJIVBSM-SOUVJXGZSA-N 2 0 267.461 2.166 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000020315949 171146124 /nfs/dbraw/zinc/14/61/24/171146124.db2.gz FGGZBUVXJKNPOC-UONOGXRCSA-N 2 0 285.476 2.390 10 0 CEAERP CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC000020365701 171164127 /nfs/dbraw/zinc/16/41/27/171164127.db2.gz VUWZAAHNYOJDQW-CABCVRRESA-N 2 0 285.476 2.343 10 0 CEAERP C[NH+](C)[C@@H](CC[NH3+])COc1ccc(F)cc1Cl ZINC000020401681 171182195 /nfs/dbraw/zinc/18/21/95/171182195.db2.gz CMZPGOVMURQTEQ-JTQLQIEISA-N 2 0 260.740 2.137 10 0 CEAERP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000022155105 171361633 /nfs/dbraw/zinc/36/16/33/171361633.db2.gz BKZZCCHOTQAAFP-CYBMUJFWSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000022162612 171364864 /nfs/dbraw/zinc/36/48/64/171364864.db2.gz FWILDUDCYXJPBV-OKILXGFUSA-N 2 0 289.423 2.452 10 0 CEAERP CN([C@H](C[NH3+])c1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000022210388 171373196 /nfs/dbraw/zinc/37/31/96/171373196.db2.gz WLRCPCHNFQLKCI-OAHLLOKOSA-N 2 0 281.831 2.366 10 0 CEAERP CC[NH+](CC)CCN(CCC[NH3+])c1ccc(C)cc1 ZINC000037297678 173101404 /nfs/dbraw/zinc/10/14/04/173101404.db2.gz PHEIHMITBVXPOM-UHFFFAOYSA-N 2 0 263.429 2.492 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCc2nccn2C)CC1 ZINC000040639031 174362967 /nfs/dbraw/zinc/36/29/67/174362967.db2.gz VAOIESVKNQYVCQ-AWEZNQCLSA-N 2 0 278.444 2.063 10 0 CEAERP CCOC1CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000040678509 174374875 /nfs/dbraw/zinc/37/48/75/174374875.db2.gz PBGPIEAJBFVPHK-GUTXKFCHSA-N 2 0 254.418 2.251 10 0 CEAERP C(CN1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000040694111 174377831 /nfs/dbraw/zinc/37/78/31/174377831.db2.gz PJCOWPWEGXZWFX-INIZCTEOSA-N 2 0 279.472 2.469 10 0 CEAERP CC[C@H](CC(N)=S)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694052 174377863 /nfs/dbraw/zinc/37/78/63/174377863.db2.gz PCKUCUHZALAAPX-CYBMUJFWSA-N 2 0 283.485 2.392 10 0 CEAERP CCC[C@H]([NH3+])CN1CCC([NH+]2CCCCC2)CC1 ZINC000040694452 174378346 /nfs/dbraw/zinc/37/83/46/174378346.db2.gz VFTCLPYXKZHURU-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP C[C@H]1CC[N@H+](CCCC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000040717007 174384642 /nfs/dbraw/zinc/38/46/42/174384642.db2.gz KRKKMIDNMXLYFU-ZDUSSCGKSA-N 2 0 275.396 2.206 10 0 CEAERP C[C@@H](c1ccc2c(c1)OCO2)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040749116 174394085 /nfs/dbraw/zinc/39/40/85/174394085.db2.gz MIODCGUUJWZVMZ-HLVVYCRESA-N 2 0 274.364 2.430 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccsc1)N1CCC([NH+](C)C)CC1 ZINC000043117899 174976259 /nfs/dbraw/zinc/97/62/59/174976259.db2.gz USCISNIDKUOHTM-FZMZJTMJSA-N 2 0 267.442 2.162 10 0 CEAERP CC[NH+](CC)[C@@H](CN[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043323922 175006648 /nfs/dbraw/zinc/00/66/48/175006648.db2.gz DRKVWFFCMZRCCB-SJORKVTESA-N 2 0 275.440 2.411 10 0 CEAERP c1ccc([C@@H](CN[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000043324493 175007096 /nfs/dbraw/zinc/00/70/96/175007096.db2.gz ZPEDGGOLPPUVNF-DLBZAZTESA-N 2 0 273.424 2.165 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC(C[NH+](C)C)CC2)o1 ZINC000043364991 175026483 /nfs/dbraw/zinc/02/64/83/175026483.db2.gz XNOZTNDECAAUNH-CJNGLKHVSA-N 2 0 279.428 2.250 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1cccc2ccccc21 ZINC000043810379 175109536 /nfs/dbraw/zinc/10/95/36/175109536.db2.gz BFDGIUFAJXPZHP-SFHVURJKSA-N 2 0 283.419 2.348 10 0 CEAERP CC[NH2+][C@@H](C)c1ccc(OC)c(CN2CC[NH+](C)CC2)c1 ZINC000043810901 175110517 /nfs/dbraw/zinc/11/05/17/175110517.db2.gz GTBMZNAMPDQOCH-AWEZNQCLSA-N 2 0 291.439 2.113 10 0 CEAERP CC[NH2+][C@@H]1CCCCC[C@@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815315 175112578 /nfs/dbraw/zinc/11/25/78/175112578.db2.gz RSVGLVYQCDZKDY-CVEARBPZSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](CN1CCC[N@H+](C)CC1)C(C)(C)C ZINC000043818525 175112926 /nfs/dbraw/zinc/11/29/26/175112926.db2.gz MSJJIZPSCVZGGH-CQSZACIVSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCC[N@H+](C)CC1 ZINC000043818423 175113047 /nfs/dbraw/zinc/11/30/47/175113047.db2.gz RWVSFYITABCJKN-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H](C)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000043907864 175123447 /nfs/dbraw/zinc/12/34/47/175123447.db2.gz WRTHIGHTBUPOKH-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@H]1CCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965638 175127394 /nfs/dbraw/zinc/12/73/94/175127394.db2.gz OSOMBHYYHPWJAT-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@@H](CN1CC[NH+](C2CC2)CC1)c1ccc(C)cc1C ZINC000043967565 175128690 /nfs/dbraw/zinc/12/86/90/175128690.db2.gz RBKCOXGOCNOMTL-SFHVURJKSA-N 2 0 287.451 2.344 10 0 CEAERP C[NH2+][C@H](CN1CC[NH+](CC2CC2)CC1)c1ccccc1C ZINC000043967870 175129179 /nfs/dbraw/zinc/12/91/79/175129179.db2.gz CMDJPNDREHTSBF-GOSISDBHSA-N 2 0 287.451 2.283 10 0 CEAERP CC[NH2+][C@H]1CCCCCC[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967698 175129290 /nfs/dbraw/zinc/12/92/90/175129290.db2.gz NDJQJFWLALGBQT-DLBZAZTESA-N 2 0 279.472 2.467 10 0 CEAERP CCC[NH2+][C@H]1CCC[C@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970785 175132184 /nfs/dbraw/zinc/13/21/84/175132184.db2.gz FSPDNYNUPAMVJV-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970677 175132198 /nfs/dbraw/zinc/13/21/98/175132198.db2.gz KSXDCSRJINIECJ-PVAVHDDUSA-N 2 0 281.488 2.427 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(C[NH3+])CCCCC1 ZINC000044762199 175246214 /nfs/dbraw/zinc/24/62/14/175246214.db2.gz REAGTDFWCJGUCX-HNNXBMFYSA-N 2 0 295.471 2.276 10 0 CEAERP CC[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000044798072 175255248 /nfs/dbraw/zinc/25/52/48/175255248.db2.gz GVGKBUMWKQYCSG-GOEBONIOSA-N 2 0 291.439 2.171 10 0 CEAERP CC[C@@H]1CCN(C[C@@H]2CC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000045136744 175313851 /nfs/dbraw/zinc/31/38/51/175313851.db2.gz AYCLZLAIYRHBED-JKSUJKDBSA-N 2 0 267.461 2.181 10 0 CEAERP CS(=O)(=O)c1ccc(C[NH2+]CCCCCCC[NH3+])cc1 ZINC000045174336 175322821 /nfs/dbraw/zinc/32/28/21/175322821.db2.gz ZHOPANWYMMMVQY-UHFFFAOYSA-N 2 0 298.452 2.089 10 0 CEAERP CCCC[N@H+](CC)CCCC[C@](C)([NH2+]CC)C(N)=O ZINC000045370506 175364120 /nfs/dbraw/zinc/36/41/20/175364120.db2.gz XHCAOAAMARLXGV-HNNXBMFYSA-N 2 0 271.449 2.132 10 0 CEAERP CCCC[NH+](CCCC)CCCC[C@](C)([NH3+])C(N)=O ZINC000045380572 175369236 /nfs/dbraw/zinc/36/92/36/175369236.db2.gz GTCOOOORKFWYEY-HNNXBMFYSA-N 2 0 271.449 2.262 10 0 CEAERP CC[N@H+](CCCC[C@@](C)([NH2+]C(C)C)C(N)=O)CC(C)C ZINC000045381737 175369700 /nfs/dbraw/zinc/36/97/00/175369700.db2.gz GKZAVBOGBOPXBI-MRXNPFEDSA-N 2 0 285.476 2.377 10 0 CEAERP CCC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CCO1 ZINC000070360436 175889184 /nfs/dbraw/zinc/88/91/84/175889184.db2.gz KGJUJIAHESDEFR-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[C@@H]1C[C@](C[NH3+])(N2CC[C@H]([NH+](CC)CC)C2)CCO1 ZINC000070366302 175896249 /nfs/dbraw/zinc/89/62/49/175896249.db2.gz QULKFYPHZQQCNM-GVDBMIGSSA-N 2 0 297.487 2.079 10 0 CEAERP CC[C@H]1CCC[C@@H]([N@@H+]2CCCN(CCC[NH3+])CC2)C1 ZINC000071147387 176043610 /nfs/dbraw/zinc/04/36/10/176043610.db2.gz VPKLLSXEVTYIDO-JKSUJKDBSA-N 2 0 267.461 2.312 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1F)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188085 176061524 /nfs/dbraw/zinc/06/15/24/176061524.db2.gz WUNPGMQCROCONR-XJKCOSOUSA-N 2 0 279.403 2.098 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188075 176062071 /nfs/dbraw/zinc/06/20/71/176062071.db2.gz DRDSOOVJWFFGEJ-IOASZLSFSA-N 2 0 279.403 2.098 10 0 CEAERP Cc1ccsc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187963 176062317 /nfs/dbraw/zinc/06/23/17/176062317.db2.gz DBMRNSSNONXJMR-MCIONIFRSA-N 2 0 281.469 2.328 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N(C)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000071188374 176062959 /nfs/dbraw/zinc/06/29/59/176062959.db2.gz UAGPNPOORBHELE-KLAILNCOSA-N 2 0 281.488 2.414 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188685 176063987 /nfs/dbraw/zinc/06/39/87/176063987.db2.gz QMWPGRRIVZPOFM-DJIMGWMZSA-N 2 0 275.440 2.349 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CN(C)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000071188775 176064071 /nfs/dbraw/zinc/06/40/71/176064071.db2.gz HNQUNFIVOFQYTE-WBVHZDCISA-N 2 0 275.440 2.187 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C(N)=[NH2+])cc1Cl ZINC000071189306 176064244 /nfs/dbraw/zinc/06/42/44/176064244.db2.gz WQPNXBWSJMWTEQ-JTQLQIEISA-N 2 0 280.803 2.012 10 0 CEAERP CCC[NH2+][C@H](CC)[C@H](C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189035 176064305 /nfs/dbraw/zinc/06/43/05/176064305.db2.gz XJVYHMZVWPYBHQ-RRFJBIMHSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1ccccc1N(C)C[C@H]1CC[N@H+](C)C1 ZINC000071190062 176065934 /nfs/dbraw/zinc/06/59/34/176065934.db2.gz ZOVZMTQPCDVLQK-AWEZNQCLSA-N 2 0 261.413 2.184 10 0 CEAERP CC[NH2+]Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000071191788 176072902 /nfs/dbraw/zinc/07/29/02/176072902.db2.gz LPCVEPSMYSZWSZ-GFCCVEGCSA-N 2 0 296.846 2.232 10 0 CEAERP C[C@@H](CNc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071192182 176073696 /nfs/dbraw/zinc/07/36/96/176073696.db2.gz OASFJAVELCVBDM-LSDHHAIUSA-N 2 0 261.413 2.371 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000071193056 176075495 /nfs/dbraw/zinc/07/54/95/176075495.db2.gz SEMXLSUOOFLKOU-CHWSQXEVSA-N 2 0 290.411 2.122 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@@H+]1CCC[C@H]1CCCO ZINC000071263625 176096678 /nfs/dbraw/zinc/09/66/78/176096678.db2.gz XEDDCTYLPJPBIS-HNNXBMFYSA-N 2 0 266.360 2.021 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267914 176101712 /nfs/dbraw/zinc/10/17/12/176101712.db2.gz HDDFGYOYBICRIU-UHFFFAOYSA-N 2 0 292.402 2.026 10 0 CEAERP CC[NH2+]CC1CC[NH+](CCCCCC(=O)OCC)CC1 ZINC000071297938 176112861 /nfs/dbraw/zinc/11/28/61/176112861.db2.gz SHYJYMNOKSVHAK-UHFFFAOYSA-N 2 0 284.444 2.431 10 0 CEAERP CCN([C@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000071312126 176118966 /nfs/dbraw/zinc/11/89/66/176118966.db2.gz BTHXMQFSFMIGIH-SFHVURJKSA-N 2 0 287.451 2.335 10 0 CEAERP COc1c(C)cc(C)cc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076655177 177044789 /nfs/dbraw/zinc/04/47/89/177044789.db2.gz QFSUEVCCFYIFKR-ZDUSSCGKSA-N 2 0 250.386 2.306 10 0 CEAERP COc1cc(C)c(C)cc1[C@@H](CC[NH3+])C[NH+](C)C ZINC000076655164 177045207 /nfs/dbraw/zinc/04/52/07/177045207.db2.gz JSCCFQOEFXVHNN-ZDUSSCGKSA-N 2 0 250.386 2.306 10 0 CEAERP [NH3+]CCCN1CC[NH+](C2CCCCCCC2)CC1 ZINC000078527291 177350603 /nfs/dbraw/zinc/35/06/03/177350603.db2.gz ZYYZYISVPAQONB-UHFFFAOYSA-N 2 0 253.434 2.066 10 0 CEAERP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N(C)Cc1ccccc1 ZINC000390609540 262226669 /nfs/dbraw/zinc/22/66/69/262226669.db2.gz ZDWWJVAYJFOJAR-WBVHZDCISA-N 2 0 275.440 2.239 10 0 CEAERP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000398362015 270358029 /nfs/dbraw/zinc/35/80/29/270358029.db2.gz NSOQXVXRDNKNQJ-JTQLQIEISA-N 2 0 287.176 2.287 10 0 CEAERP CC(C)(C)C1CCC(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)CC1 ZINC000263130828 278301142 /nfs/dbraw/zinc/30/11/42/278301142.db2.gz BPMGJUKTUQBSNR-SHWKFHJASA-N 2 0 268.445 2.009 10 0 CEAERP CC[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000161985180 281292604 /nfs/dbraw/zinc/29/26/04/281292604.db2.gz MWEGKFLDMSLMDB-BMFZPTHFSA-N 2 0 266.429 2.096 10 0 CEAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262281927 289259362 /nfs/dbraw/zinc/25/93/62/289259362.db2.gz LGKIHRQXPNLRIY-KFWWJZLASA-N 2 0 295.471 2.131 10 0 CEAERP Cc1c(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cnn1C ZINC000406025963 289293297 /nfs/dbraw/zinc/29/32/97/289293297.db2.gz HHZZSXPYXGFQKF-SFHVURJKSA-N 2 0 298.434 2.483 10 0 CEAERP [NH3+]C1CCC([NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000333160187 303362179 /nfs/dbraw/zinc/36/21/79/303362179.db2.gz NTJZXOIRUCCUOV-BHUNQDJPSA-N 2 0 291.414 2.131 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@@H](COCC[NH+]2CCCCC2)O1 ZINC000052671039 519723815 /nfs/dbraw/zinc/72/38/15/519723815.db2.gz OBSXTIHLZXQREI-HOTGVXAUSA-N 2 0 284.444 2.035 10 0 CEAERP CC(C)[NH2+]Cc1cc(C[NH+]2CCC(C)CC2)on1 ZINC000052376999 519726342 /nfs/dbraw/zinc/72/63/42/519726342.db2.gz HHASGHGBJMSPHB-UHFFFAOYSA-N 2 0 251.374 2.405 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000052419890 519743739 /nfs/dbraw/zinc/74/37/39/519743739.db2.gz SYQFDSFWESGRRN-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+]Cc1cc(COCC[C@H]2CCC[N@@H+]2C)on1 ZINC000052673342 519944689 /nfs/dbraw/zinc/94/46/89/519944689.db2.gz NNAMZVNLLXUBRK-CQSZACIVSA-N 2 0 281.400 2.175 10 0 CEAERP CC[NH2+]Cc1nc(CN(CC[NH+](C)C)CC(C)C)cs1 ZINC000052503235 520019834 /nfs/dbraw/zinc/01/98/34/520019834.db2.gz VGRXRKGKVCXKAF-UHFFFAOYSA-N 2 0 298.500 2.272 10 0 CEAERP CCC[C@](C)(C[NH2+]CC(C)C)C[N@@H+]1CC[C@H](O)C1 ZINC000061711748 521266742 /nfs/dbraw/zinc/26/67/42/521266742.db2.gz FJOOVCMPDJPLNJ-LSDHHAIUSA-N 2 0 256.434 2.105 10 0 CEAERP CCCN(CC[NH+](C)C)c1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860195 521658926 /nfs/dbraw/zinc/65/89/26/521658926.db2.gz BHVDXSXTACVRAQ-UHFFFAOYSA-N 2 0 282.819 2.402 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2C2CCCC2)O1 ZINC000052517754 522096946 /nfs/dbraw/zinc/09/69/46/522096946.db2.gz DNCVMDNBJBTHCN-BZUAXINKSA-N 2 0 266.429 2.408 10 0 CEAERP COC[C@@H](C)[N@H+](C)Cc1ccc(C[NH2+]CC(C)C)o1 ZINC000052511520 522221279 /nfs/dbraw/zinc/22/12/79/522221279.db2.gz IYXJILUWEAQOHV-CYBMUJFWSA-N 2 0 268.401 2.492 10 0 CEAERP CC[C@H]([NH2+]C)[C@H](C)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062051510 522555655 /nfs/dbraw/zinc/55/56/55/522555655.db2.gz HNBJDKCVXWKJPO-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP CC(C)(C)CC[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000049254418 518649487 /nfs/dbraw/zinc/64/94/87/518649487.db2.gz MHRCLSRZAKCBIF-UHFFFAOYSA-N 2 0 255.450 2.169 10 0 CEAERP CC(C)CC[NH2+]C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055075941 519663153 /nfs/dbraw/zinc/66/31/53/519663153.db2.gz ANAZPTLEUJPBGN-MRXNPFEDSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](CC[NH3+])C1 ZINC000055161484 519716360 /nfs/dbraw/zinc/71/63/60/519716360.db2.gz MHGNNVKGJPQCQP-CVEARBPZSA-N 2 0 297.487 2.188 10 0 CEAERP CC(C)[NH2+]CCC[C@H](C)[NH+]1CCC([NH+](C)C)CC1 ZINC000052477738 519721546 /nfs/dbraw/zinc/72/15/46/519721546.db2.gz BISLSODCKXBBLD-AWEZNQCLSA-N 3 0 255.450 2.179 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CCC([NH+](C)C)CC1 ZINC000052477506 519722643 /nfs/dbraw/zinc/72/26/43/519722643.db2.gz GMBUFFRJVKDUDV-HNNXBMFYSA-N 2 0 255.450 2.035 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)CCc2ccncc2)O1 ZINC000052483152 519724051 /nfs/dbraw/zinc/72/40/51/519724051.db2.gz BMFHVEZWPGTORS-DLBZAZTESA-N 2 0 291.439 2.102 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccnc2)O1 ZINC000052479527 519725203 /nfs/dbraw/zinc/72/52/03/519725203.db2.gz BQKIOLREAFRCPU-CVEARBPZSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](c2cccs2)[C@H](C)[NH3+])CC1 ZINC000055077310 519727447 /nfs/dbraw/zinc/72/74/47/519727447.db2.gz BVTXZQZPBGINRH-DZGCQCFKSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)[NH2+]Cc1ccoc1COCCC[NH+](C)C ZINC000052672337 519727755 /nfs/dbraw/zinc/72/77/55/519727755.db2.gz ZKLKKSHDULNDJB-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC(C)C[NH2+]CC1(CN2CC[C@H]([NH+](C)C)C2)CCCC1 ZINC000062969953 519742889 /nfs/dbraw/zinc/74/28/89/519742889.db2.gz YGUKUUNZIDSYBC-INIZCTEOSA-N 2 0 281.488 2.428 10 0 CEAERP CC(C)C[NH2+]CC(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000061653542 519743056 /nfs/dbraw/zinc/74/30/56/519743056.db2.gz PYADRYBINGKTHX-OAHLLOKOSA-N 2 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055083115 519744598 /nfs/dbraw/zinc/74/45/98/519744598.db2.gz DVMQLEJSLYJYKB-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CCC1CCC(C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000048991869 519850789 /nfs/dbraw/zinc/85/07/89/519850789.db2.gz IIDXLYURSZXOHN-UHFFFAOYSA-N 2 0 265.445 2.064 10 0 CEAERP CCCC1(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)CC[NH2+]CC1 ZINC000062972576 519887693 /nfs/dbraw/zinc/88/76/93/519887693.db2.gz PGCQOAZLDLQZFZ-OAHLLOKOSA-N 2 0 295.471 2.099 10 0 CEAERP CC[NH2+]C(C)(C)CN1CCC([NH+]2CCCCC2)CC1 ZINC000061299750 519908262 /nfs/dbraw/zinc/90/82/62/519908262.db2.gz AHTFWYONZVAXEQ-UHFFFAOYSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]CC(C)(C)CN1CC[NH+](CC(C)C)CC1 ZINC000055081829 519908741 /nfs/dbraw/zinc/90/87/41/519908741.db2.gz OAWAJZNWRGLGQV-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@@H+]1CC ZINC000054603228 519911010 /nfs/dbraw/zinc/91/10/10/519911010.db2.gz DLOLZIKZIIUBCB-UYTSQGDYSA-N 2 0 265.445 2.076 10 0 CEAERP CCC[NH2+]CCCCC[NH+]1CCN(C(C)C)CC1 ZINC000052480103 519911684 /nfs/dbraw/zinc/91/16/84/519911684.db2.gz WQMMTZAXZSYYQO-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CC[NH2+]CCC[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573522 519920314 /nfs/dbraw/zinc/92/03/14/519920314.db2.gz VHCXBAURUFDMKJ-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCC[NH2+]C[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819201 519922079 /nfs/dbraw/zinc/92/20/79/519922079.db2.gz XMMYLQROVFXZIM-OAHLLOKOSA-N 2 0 268.445 2.393 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CCOC)CC(C)C)O1 ZINC000052508703 519925759 /nfs/dbraw/zinc/92/57/59/519925759.db2.gz PHVNCXZIHNUGCZ-HOTGVXAUSA-N 2 0 286.460 2.138 10 0 CEAERP CCC[NH2+]C[C@H](c1ccccc1)N1CCC[N@H+](C)CC1 ZINC000052424432 519935121 /nfs/dbraw/zinc/93/51/21/519935121.db2.gz JYCKFDKOHGWILC-QGZVFWFLSA-N 2 0 275.440 2.365 10 0 CEAERP CC[NH2+]C[C@@H](OCCC[NH+](C)C)c1ccccc1 ZINC000052672707 519947538 /nfs/dbraw/zinc/94/75/38/519947538.db2.gz JTSUDRQWSAYPOL-OAHLLOKOSA-N 2 0 250.386 2.306 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@H+](CC)Cc2ccncc2)O1 ZINC000052515071 519950982 /nfs/dbraw/zinc/95/09/82/519950982.db2.gz ZZASOWSJBWCSAO-HOTGVXAUSA-N 2 0 277.412 2.061 10 0 CEAERP CCC[NH2+]Cc1occc1C[N@H+](C)[C@@H](C)COC ZINC000052511564 519972391 /nfs/dbraw/zinc/97/23/91/519972391.db2.gz AUKNKZPYUZQWNZ-LBPRGKRZSA-N 2 0 254.374 2.246 10 0 CEAERP CC[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000052380766 519996107 /nfs/dbraw/zinc/99/61/07/519996107.db2.gz ZQLLTDNCZOHSMY-ZIAGYGMSSA-N 2 0 262.397 2.405 10 0 CEAERP CC[NH2+]Cc1cn(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000052482554 520012503 /nfs/dbraw/zinc/01/25/03/520012503.db2.gz STGHTZZWOUBURA-ZBFHGGJFSA-N 2 0 291.443 2.042 10 0 CEAERP CC[NH2+]Cc1nc(COCC[NH+](CC)CC)cs1 ZINC000052671548 520020940 /nfs/dbraw/zinc/02/09/40/520020940.db2.gz VNCZHZLUQLSVAY-UHFFFAOYSA-N 2 0 271.430 2.111 10 0 CEAERP CC[NH2+]Cc1occc1CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055073675 520030494 /nfs/dbraw/zinc/03/04/94/520030494.db2.gz VSPWVYQJCHVXQZ-AWEZNQCLSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061643711 520096719 /nfs/dbraw/zinc/09/67/19/520096719.db2.gz DCOSUQCVHCZIHX-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C[N@H+](CC)CCOC ZINC000053875771 520123081 /nfs/dbraw/zinc/12/30/81/520123081.db2.gz NYWYIRNQQYNPBQ-RRFJBIMHSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+][C@H](C)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045600356 520172103 /nfs/dbraw/zinc/17/21/03/520172103.db2.gz JFMYNYMWMMFEIE-OAHLLOKOSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H](C)c1cnc(N2CC[NH+](C(C)C)CC2)s1 ZINC000054903696 520181394 /nfs/dbraw/zinc/18/13/94/520181394.db2.gz ZFNUGNZVXIOBDV-GFCCVEGCSA-N 2 0 282.457 2.344 10 0 CEAERP CC[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1 ZINC000062965120 520198873 /nfs/dbraw/zinc/19/88/73/520198873.db2.gz ALOUUXVSXLNLBU-DLBZAZTESA-N 2 0 275.440 2.282 10 0 CEAERP CCOC(=O)C1CC[NH+](Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401699 520577989 /nfs/dbraw/zinc/57/79/89/520577989.db2.gz ZGVWPXRBZVUZTF-UHFFFAOYSA-N 2 0 294.370 2.060 10 0 CEAERP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000052337232 520722432 /nfs/dbraw/zinc/72/24/32/520722432.db2.gz TXFDRHUXGADTHQ-ZFWWWQNUSA-N 2 0 256.434 2.248 10 0 CEAERP CCCCOCC[N@H+](C)Cc1ccccc1C[NH3+] ZINC000049261709 520759378 /nfs/dbraw/zinc/75/93/78/520759378.db2.gz QHQIGONXSSIMGV-UHFFFAOYSA-N 2 0 250.386 2.394 10 0 CEAERP CC[NH+](CC)[C@H]1CCN([C@@H](C[NH3+])c2ccc(C)cc2)C1 ZINC000062977122 520874109 /nfs/dbraw/zinc/87/41/09/520874109.db2.gz CEHUWCGDFJYIOV-IRXDYDNUSA-N 2 0 275.440 2.411 10 0 CEAERP CC1CCC([NH2+]CCN2CCC[C@@H]2C[NH+](C)C)CC1 ZINC000061655226 520952692 /nfs/dbraw/zinc/95/26/92/520952692.db2.gz IRHCUITUIRETBE-UYSNPLJNSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[C@H]([NH3+])[C@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055078930 521120980 /nfs/dbraw/zinc/12/09/80/521120980.db2.gz OVQQOYJURGUSDO-GJZGRUSLSA-N 2 0 255.450 2.166 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[NH+]1Cc2ccccc2C1 ZINC000050912260 521154967 /nfs/dbraw/zinc/15/49/67/521154967.db2.gz VUYMIEXBNWFPOX-INIZCTEOSA-N 2 0 276.380 2.063 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N1CC[NH+](CC(C)C)CC1 ZINC000055079228 521155444 /nfs/dbraw/zinc/15/54/44/521155444.db2.gz RPRGYKYSRRONJE-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000069380184 521253906 /nfs/dbraw/zinc/25/39/06/521253906.db2.gz FKJKILMCGGXLKO-OAHLLOKOSA-N 2 0 253.434 2.064 10 0 CEAERP CCC(CC)(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978650 521425970 /nfs/dbraw/zinc/42/59/70/521425970.db2.gz MYONZYFUGWJWFY-AWEZNQCLSA-N 2 0 253.434 2.064 10 0 CEAERP CC[NH+]1CCC(N(C)Cc2cc(C[NH2+]C(C)C)no2)CC1 ZINC000052544011 521564743 /nfs/dbraw/zinc/56/47/43/521564743.db2.gz KGHOGTZTSVMARW-UHFFFAOYSA-N 2 0 294.443 2.089 10 0 CEAERP CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH2+]C2CC2)cc1 ZINC000061654551 521841281 /nfs/dbraw/zinc/84/12/81/521841281.db2.gz BDAVQDRLIUTLPH-SFHVURJKSA-N 2 0 287.451 2.465 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1c1nc(C2CC2)c(C[NH3+])s1 ZINC000069182055 521845698 /nfs/dbraw/zinc/84/56/98/521845698.db2.gz NTVTXBCFXHBXTM-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000061644712 521872107 /nfs/dbraw/zinc/87/21/07/521872107.db2.gz ZTATYVNBMAKGMM-CABCVRRESA-N 2 0 274.412 2.080 10 0 CEAERP C[NH2+]C(C)(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000061318292 521934711 /nfs/dbraw/zinc/93/47/11/521934711.db2.gz HCRLKKIFJLCMSJ-UHFFFAOYSA-N 2 0 295.471 2.289 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)[C@@H](C)C(C)(C)C)CCOCC1 ZINC000052182322 521968599 /nfs/dbraw/zinc/96/85/99/521968599.db2.gz JYPUZGLOXHOEPI-ZDUSSCGKSA-N 2 0 256.434 2.369 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](Cc2ccco2)C2CC2)O1 ZINC000052370907 522059959 /nfs/dbraw/zinc/05/99/59/522059959.db2.gz AEWQJRDHWARRFF-DZGCQCFKSA-N 2 0 264.369 2.011 10 0 CEAERP C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2)O1 ZINC000052424732 522096997 /nfs/dbraw/zinc/09/69/97/522096997.db2.gz JLABSJFEFNPURD-HZPDHXFCSA-N 2 0 262.397 2.194 10 0 CEAERP C[NH2+]Cc1sc(N2CC[NH+](C(C)C)CC2)nc1C1CC1 ZINC000069147056 522166465 /nfs/dbraw/zinc/16/64/65/522166465.db2.gz BVUQAOKZPWOURT-UHFFFAOYSA-N 2 0 294.468 2.270 10 0 CEAERP CC[C@H](C[NH2+]C)O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702405 522191120 /nfs/dbraw/zinc/19/11/20/522191120.db2.gz FLTNIKMIJKXCOU-CVEARBPZSA-N 2 0 262.397 2.276 10 0 CEAERP C[NH2+][C@@H](CN1CCC[C@@H]1C[NH+](C)C)c1ccccc1C ZINC000061643637 522354326 /nfs/dbraw/zinc/35/43/26/522354326.db2.gz UTFPELBDZZXJNF-WBVHZDCISA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@@H]1c2ccccc2C[C@@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078861 522401000 /nfs/dbraw/zinc/40/10/00/522401000.db2.gz GNVLYRGHKDJUMH-ZWKOTPCHSA-N 2 0 287.451 2.145 10 0 CEAERP C[NH2+][C@H]1CCCC[C@H]1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062970712 522490291 /nfs/dbraw/zinc/49/02/91/522490291.db2.gz HSAJOMHDHSMNHB-ULQDDVLXSA-N 2 0 279.472 2.325 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1ccncc1)N1CC[NH+](CC(C)C)CC1 ZINC000055077050 522652993 /nfs/dbraw/zinc/65/29/93/522652993.db2.gz NCSIWUINCAFIKB-SJORKVTESA-N 2 0 290.455 2.134 10 0 CEAERP CN(CC[NH2+]C1CCCCCC1)CC[NH+]1CCCC1 ZINC000063054395 522862730 /nfs/dbraw/zinc/86/27/30/522862730.db2.gz JSEGMJZWGMZPPO-UHFFFAOYSA-N 2 0 267.461 2.326 10 0 CEAERP CC[C@H]1CCC[N@H+](CC2(C[NH2+]C)CCOCC2)C1 ZINC000052181846 523089572 /nfs/dbraw/zinc/08/95/72/523089572.db2.gz DHSWTLPKJHWXDD-AWEZNQCLSA-N 2 0 254.418 2.125 10 0 CEAERP COCCC[N@H+](CCOC)Cc1cc(C[NH2+]C(C)C)co1 ZINC000052543272 523255930 /nfs/dbraw/zinc/25/59/30/523255930.db2.gz JNABXXBIRPXRPV-UHFFFAOYSA-N 2 0 298.427 2.263 10 0 CEAERP CC[C@H]1CN(c2nc(C3CC3)c(C[NH3+])s2)CC[N@@H+]1C ZINC000069182951 523308465 /nfs/dbraw/zinc/30/84/65/523308465.db2.gz QCHNPXYVABSUQP-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP Cn1cc(C[N@H+](C)Cc2ccccc2C[NH2+]C2CC2)cn1 ZINC000052570448 523516027 /nfs/dbraw/zinc/51/60/27/523516027.db2.gz RGINTXMTJOCJKX-UHFFFAOYSA-N 2 0 284.407 2.304 10 0 CEAERP COCC[N@H+](C)CCn1c(C)cc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380803 523615362 /nfs/dbraw/zinc/61/53/62/523615362.db2.gz LNASFFXWAGTSLT-OAHLLOKOSA-N 2 0 293.455 2.347 10 0 CEAERP C[N@H+](Cc1occc1C[NH2+]C1CC1)[C@@H]1CCSC1 ZINC000052453171 523617120 /nfs/dbraw/zinc/61/71/20/523617120.db2.gz PHCDOUFUMAWBLA-CYBMUJFWSA-N 2 0 266.410 2.469 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052572889 523619273 /nfs/dbraw/zinc/61/92/73/523619273.db2.gz YNQRIOAKAXRJQP-UHFFFAOYSA-N 2 0 254.374 2.103 10 0 CEAERP COCC[N@H+](C)CCn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000061380812 523620415 /nfs/dbraw/zinc/62/04/15/523620415.db2.gz KERRCHYEYKVBMN-CQSZACIVSA-N 2 0 279.428 2.039 10 0 CEAERP C[NH+]1CCC(OC[C@@H]2CC[C@@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000052596892 523780415 /nfs/dbraw/zinc/78/04/15/523780415.db2.gz IQNQWGRDMLZZDA-GJZGRUSLSA-N 2 0 284.444 2.033 10 0 CEAERP C[N@@H+]1CCCN(CC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000049591400 523806941 /nfs/dbraw/zinc/80/69/41/523806941.db2.gz QFEMCCGTGVCUMA-UHFFFAOYSA-N 2 0 287.860 2.129 10 0 CEAERP COCC[NH2+]C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000053697996 523943811 /nfs/dbraw/zinc/94/38/11/523943811.db2.gz DHCNPMBMBLZYSD-CQSZACIVSA-N 2 0 285.391 2.440 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCC[NH2+]CC(C)C)CC1 ZINC000055073659 523952837 /nfs/dbraw/zinc/95/28/37/523952837.db2.gz LKJBBJRLJHYQGL-INIZCTEOSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CCCC[NH2+]C(C)C)CC1 ZINC000055074541 523952888 /nfs/dbraw/zinc/95/28/88/523952888.db2.gz AAGWRBFAWWQXQQ-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3cnccc32)C1 ZINC000061125339 523961850 /nfs/dbraw/zinc/96/18/50/523961850.db2.gz QFGUPHWJKBNLEC-ZDUSSCGKSA-N 2 0 255.365 2.276 10 0 CEAERP C[NH+](C)CC(C)(C)CN1CC[C@H](C[NH2+]C(C)(C)C)C1 ZINC000053010819 524045792 /nfs/dbraw/zinc/04/57/92/524045792.db2.gz MDGVSBJEYVEYBS-CQSZACIVSA-N 2 0 269.477 2.284 10 0 CEAERP C[C@H]1CC[C@H]([NH3+])[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000062979407 524415225 /nfs/dbraw/zinc/41/52/25/524415225.db2.gz TUNIECMBKMMSKQ-YHUYYLMFSA-N 2 0 265.445 2.063 10 0 CEAERP C[C@@H]1CCC[C@](CNc2[nH+]ccn2C)([NH+](C)C)C1 ZINC000050606221 524431318 /nfs/dbraw/zinc/43/13/18/524431318.db2.gz JKGLHYHQVWDMNO-OCCSQVGLSA-N 2 0 250.390 2.343 10 0 CEAERP C[C@H](C[NH2+]C1CC1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000052417111 524479744 /nfs/dbraw/zinc/47/97/44/524479744.db2.gz GTZQBVHMGQRTSS-MRXNPFEDSA-N 2 0 287.451 2.192 10 0 CEAERP Cc1cc(C[N@H+](C)C[C@H]2CCCCO2)oc1C[NH3+] ZINC000052507444 524661030 /nfs/dbraw/zinc/66/10/30/524661030.db2.gz VEACBEWGHSFGAN-GFCCVEGCSA-N 2 0 252.358 2.048 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977565 524838124 /nfs/dbraw/zinc/83/81/24/524838124.db2.gz CPDVZUNEMJCXQZ-JQFCIGGWSA-N 2 0 291.414 2.384 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccsc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000062977543 524856295 /nfs/dbraw/zinc/85/62/95/524856295.db2.gz JJHFCHHFTMHILL-AEGPPILISA-N 2 0 279.453 2.307 10 0 CEAERP Cc1cc(F)ccc1[C@@H](C[NH3+])N1CCC([NH+](C)C)CC1 ZINC000050578629 525002474 /nfs/dbraw/zinc/00/24/74/525002474.db2.gz YHTJHZUIBJLBKT-MRXNPFEDSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CC[C@H]([NH+](C)C)C1 ZINC000062964126 525006948 /nfs/dbraw/zinc/00/69/48/525006948.db2.gz NMIKQMNGKCZQOC-NRUUGDAUSA-N 2 0 287.860 2.426 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061642179 525015993 /nfs/dbraw/zinc/01/59/93/525015993.db2.gz GMIOYEJXBATNJN-DAXOMENPSA-N 2 0 279.403 2.240 10 0 CEAERP C[C@](C[NH3+])(CN1CCC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000062941987 525137466 /nfs/dbraw/zinc/13/74/66/525137466.db2.gz QPGXKDOKJXVCNQ-MSOLQXFVSA-N 2 0 287.451 2.073 10 0 CEAERP Cc1ccc([C@@H]([NH3+])[C@@H](C)N(C)C2CC[NH+](C)CC2)cc1 ZINC000052684847 525765327 /nfs/dbraw/zinc/76/53/27/525765327.db2.gz FFYVNILILIJHOV-PBHICJAKSA-N 2 0 275.440 2.409 10 0 CEAERP [NH3+]C1CCC(CCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000055140959 527138881 /nfs/dbraw/zinc/13/88/81/527138881.db2.gz DAMAYDBCBDDECI-FJBKBRRZSA-N 2 0 293.455 2.027 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)on1 ZINC000052373099 527246783 /nfs/dbraw/zinc/24/67/83/527246783.db2.gz XRZRQWPOZODDFK-ZDUSSCGKSA-N 2 0 257.337 2.123 10 0 CEAERP NNc1[nH+]cccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052718527 527288156 /nfs/dbraw/zinc/28/81/56/527288156.db2.gz VMMHWMZFUNNAGY-QWHCGFSZSA-N 2 0 260.385 2.379 10 0 CEAERP NNc1[nH+]cccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000052718684 527289003 /nfs/dbraw/zinc/28/90/03/527289003.db2.gz LSBKQLNSWSWEIX-CQSZACIVSA-N 2 0 268.364 2.357 10 0 CEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757147874 574510536 /nfs/dbraw/zinc/51/05/36/574510536.db2.gz MSMAYYZHYCDKDG-OAHLLOKOSA-N 2 0 252.402 2.369 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@@H](C(C)C)CO2 ZINC000757150283 574510734 /nfs/dbraw/zinc/51/07/34/574510734.db2.gz PJYMONMLMRBNNF-CQSZACIVSA-N 2 0 254.418 2.327 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757242399 574513861 /nfs/dbraw/zinc/51/38/61/574513861.db2.gz YGKMCBURTUEQKF-WZRBSPASSA-N 2 0 250.390 2.026 10 0 CEAERP Cn1cc([C@@H]2CCC[N@@H+]2CCCCCC[NH3+])cn1 ZINC000311107978 627367041 /nfs/dbraw/zinc/36/70/41/627367041.db2.gz RCNPMJBINNXSMO-AWEZNQCLSA-N 2 0 250.390 2.076 10 0 CEAERP Fc1cccnc1O[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1 ZINC000261955053 629389493 /nfs/dbraw/zinc/38/94/93/629389493.db2.gz OOIIWUSURSYMRW-KBPBESRZSA-N 2 0 293.386 2.064 10 0 CEAERP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)c2ccccc2)C1 ZINC000173913250 639885741 /nfs/dbraw/zinc/88/57/41/639885741.db2.gz NWQIYEZJUFNBKU-RDJZCZTQSA-N 2 0 276.424 2.168 10 0 CEAERP c1coc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000133566802 652665116 /nfs/dbraw/zinc/66/51/16/652665116.db2.gz NPRMFHVLQUQJMT-HUUCEWRRSA-N 2 0 277.412 2.148 10 0 CEAERP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000261595554 539185442 /nfs/dbraw/zinc/18/54/42/539185442.db2.gz OGWXFPJXXIFMDJ-SOUVJXGZSA-N 2 0 260.381 2.173 10 0 CEAERP CCC1(C)CC[NH+]([C@@H]2C[C@H]([NH3+])C23CCOCC3)CC1 ZINC000725264609 539212887 /nfs/dbraw/zinc/21/28/87/539212887.db2.gz YDPXNNSDDFMCBN-UONOGXRCSA-N 2 0 266.429 2.395 10 0 CEAERP C[C@H]([NH3+])c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000142162270 344402569 /nfs/dbraw/zinc/40/25/69/344402569.db2.gz ZNPWFBUZGMDYTB-WMLDXEAASA-N 2 0 273.424 2.376 10 0 CEAERP Nc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000227991536 344558177 /nfs/dbraw/zinc/55/81/77/344558177.db2.gz FCHKAXFNCHQLQM-CQSZACIVSA-N 2 0 283.379 2.135 10 0 CEAERP CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000584774821 344985113 /nfs/dbraw/zinc/98/51/13/344985113.db2.gz OWAXBTUGCHNNAW-PMPSAXMXSA-N 2 0 267.461 2.085 10 0 CEAERP CCC[NH2+][C@H](C)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000084390363 178879190 /nfs/dbraw/zinc/87/91/90/178879190.db2.gz BQDDEVLLSRBDAQ-KGLIPLIRSA-N 2 0 255.450 2.179 10 0 CEAERP CCC(CC)[N@H+](CCCC[C@](C)(O)C[NH3+])CCOC ZINC000085301535 179010505 /nfs/dbraw/zinc/01/05/05/179010505.db2.gz NKWZCLVMXKAIHA-HNNXBMFYSA-N 2 0 274.449 2.003 10 0 CEAERP CC(C)(C)NC(=O)C[N@@H+]1CCCCC[C@@H]1C1CC[NH2+]CC1 ZINC000085403818 179052884 /nfs/dbraw/zinc/05/28/84/179052884.db2.gz RHTVLDDARLUPCA-OAHLLOKOSA-N 2 0 295.471 2.145 10 0 CEAERP COC[C@H](C)[N@H+](C)Cc1ccoc1C[NH2+]CC(C)C ZINC000052511963 522595148 /nfs/dbraw/zinc/59/51/48/522595148.db2.gz NBJWDQDSDUXTPK-ZDUSSCGKSA-N 2 0 268.401 2.492 10 0 CEAERP CC[NH+]1CCC(Cn2c3c(nc2C(C)C)C[NH2+]CC3)CC1 ZINC000085573307 179097857 /nfs/dbraw/zinc/09/78/57/179097857.db2.gz JTQGUFVPCITREB-UHFFFAOYSA-N 2 0 290.455 2.384 10 0 CEAERP C[N@H+](CCn1c2c(nc1C1CC1)C[NH2+]CC2)C1CCCC1 ZINC000085571686 179096962 /nfs/dbraw/zinc/09/69/62/179096962.db2.gz YHFWVWDWWHVAGC-UHFFFAOYSA-N 2 0 288.439 2.281 10 0 CEAERP CC[N@H+](C)CCn1c2c(nc1C1CCCC1)C[NH2+]CC2 ZINC000085606582 179100165 /nfs/dbraw/zinc/10/01/65/179100165.db2.gz ITYRGIOUZMKYAV-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP C[C@H]1CC[NH2+][C@@H](C(C)(C)C)C[N@@H+]1CCCn1ccnc1 ZINC000085624045 179107376 /nfs/dbraw/zinc/10/73/76/179107376.db2.gz JQGYMJGSTJVUIK-LSDHHAIUSA-N 2 0 278.444 2.372 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[NH2+][C@@H](C2CC2)C1 ZINC000085616408 179104270 /nfs/dbraw/zinc/10/42/70/179104270.db2.gz OLNUUFZNRWKUGB-GFCCVEGCSA-N 2 0 280.334 2.029 10 0 CEAERP CC[NH+]1CCC(C[N@@H+]2CCNC(CC)(CC)C2)CC1 ZINC000086145722 179238498 /nfs/dbraw/zinc/23/84/98/179238498.db2.gz ONKZCGCIRRBCGD-UHFFFAOYSA-N 2 0 267.461 2.182 10 0 CEAERP CC[C@H](C)[C@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@@H](CC)C[NH2+]1 ZINC000086152530 179240662 /nfs/dbraw/zinc/24/06/62/179240662.db2.gz FFUDOIQCPHCQCP-QMCVQRASSA-N 2 0 279.472 2.179 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)C1 ZINC000086172545 179244012 /nfs/dbraw/zinc/24/40/12/179244012.db2.gz OOGRVYDUIZSAOC-GVDBMIGSSA-N 2 0 281.488 2.425 10 0 CEAERP C[C@@H]1CN([C@@H]2CC[N@@H+](C3CC3)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173831 179244085 /nfs/dbraw/zinc/24/40/85/179244085.db2.gz NAUXHTDBOATSHJ-OLMNPRSZSA-N 2 0 285.435 2.258 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086173735 179244370 /nfs/dbraw/zinc/24/43/70/179244370.db2.gz SNJHGDNDPGEULX-OWCLPIDISA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[N@H+](CC2CC[NH+](CC)CC2)[C@H](C(C)C)CN1 ZINC000086259171 179258080 /nfs/dbraw/zinc/25/80/80/179258080.db2.gz ARQZWERXQXIYTA-SJORKVTESA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259301 179258702 /nfs/dbraw/zinc/25/87/02/179258702.db2.gz CZUCADLXLOOXHZ-IKGGRYGDSA-N 2 0 279.472 2.323 10 0 CEAERP CC[C@H]1C[NH2+][C@H](CC(C)C)CN1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086259664 179259236 /nfs/dbraw/zinc/25/92/36/179259236.db2.gz ZSWSZPBMDXOXSA-HLLBOEOZSA-N 2 0 279.472 2.322 10 0 CEAERP CC[C@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261054 179260506 /nfs/dbraw/zinc/26/05/06/179260506.db2.gz WLZSXEMPGKEGBB-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP C1CCC2(CC1)C[N@@H+](C1CCOCC1)CCC[NH2+]2 ZINC000086287262 179264367 /nfs/dbraw/zinc/26/43/67/179264367.db2.gz MTQKAKJZCHEURL-UHFFFAOYSA-N 2 0 252.402 2.164 10 0 CEAERP CC[C@H]1CN([C@@H](C)CC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086255876 179256353 /nfs/dbraw/zinc/25/63/53/179256353.db2.gz BYYASOWDHZFPHO-KKUMJFAQSA-N 2 0 255.450 2.035 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1C[C@H](C(C)(C)C)[NH2+]C[C@@H]1C ZINC000086255897 179257196 /nfs/dbraw/zinc/25/71/96/179257196.db2.gz IAGJSUWWAFKBFW-MELADBBJSA-N 2 0 255.450 2.035 10 0 CEAERP CC[NH+](CC)CCc1nc2c(s1)CCC[C@@H]2[NH3+] ZINC000086438889 179292922 /nfs/dbraw/zinc/29/29/22/179292922.db2.gz CZWUFIJSMACNGP-JTQLQIEISA-N 2 0 253.415 2.364 10 0 CEAERP C[N@@H+](Cc1cnc(Cl)s1)CC1CC[NH2+]CC1 ZINC000086778017 179330370 /nfs/dbraw/zinc/33/03/70/179330370.db2.gz NKDDTZYEWLKRAZ-UHFFFAOYSA-N 2 0 259.806 2.228 10 0 CEAERP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccc(NC(N)=O)cc1 ZINC000086818561 179346695 /nfs/dbraw/zinc/34/66/95/179346695.db2.gz JMAAWMPIOYBSJO-JSGCOSHPSA-N 2 0 290.411 2.312 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2ccccn2)CC1 ZINC000086847124 179356075 /nfs/dbraw/zinc/35/60/75/179356075.db2.gz RJFGHBCDVSBMJR-QGZVFWFLSA-N 2 0 290.455 2.105 10 0 CEAERP CCCCCN(C)[C@]1(C[NH3+])CCC[N@H+](CC)CC1 ZINC000086846889 179356102 /nfs/dbraw/zinc/35/61/02/179356102.db2.gz QNRGLFXFMXGFNB-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccccc2F)CC1 ZINC000086847489 179356110 /nfs/dbraw/zinc/35/61/10/179356110.db2.gz DRBVHCNJMJXAGM-KRWDZBQOSA-N 2 0 293.430 2.461 10 0 CEAERP CC[N@@H+]1CCC[C@@](C[NH3+])(N(C)Cc2cccs2)CC1 ZINC000086846989 179356417 /nfs/dbraw/zinc/35/64/17/179356417.db2.gz DPNFIUNAXWBQDT-OAHLLOKOSA-N 2 0 281.469 2.383 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N2Cc3ccccc3C2)CC1 ZINC000086848435 179356627 /nfs/dbraw/zinc/35/66/27/179356627.db2.gz WMVVGHPEPBBINU-KRWDZBQOSA-N 2 0 273.424 2.206 10 0 CEAERP CC(C)[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2ccoc2)CC1 ZINC000086847588 179356893 /nfs/dbraw/zinc/35/68/93/179356893.db2.gz DSQZPXDGQCHBMV-INIZCTEOSA-N 2 0 279.428 2.303 10 0 CEAERP CC[N@@H+]1CCC[C@H](NCCC[NH+]2CCCCC2)CC1 ZINC000086836397 179351297 /nfs/dbraw/zinc/35/12/97/179351297.db2.gz CBSWKZKVRMUTBL-INIZCTEOSA-N 2 0 267.461 2.326 10 0 CEAERP CC(C)[C@@H](CN(C)C)[NH2+][C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842881 179353572 /nfs/dbraw/zinc/35/35/72/179353572.db2.gz BZFFZXPRRGSJGU-JKSUJKDBSA-N 2 0 269.477 2.425 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846191 179354647 /nfs/dbraw/zinc/35/46/47/179354647.db2.gz KSTHQYMZOWPVMX-HOTGVXAUSA-N 2 0 267.461 2.454 10 0 CEAERP CCCN(C1CC1)[C@@]1(C[NH3+])CCC[N@H+](CCC)CC1 ZINC000086846796 179355652 /nfs/dbraw/zinc/35/56/52/179355652.db2.gz WJRSFUQDXWQYMC-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CC[N@@H+]1CCC[C@H]([NH+]2CCC(CC[NH2+]C)CC2)CC1 ZINC000086851237 179358946 /nfs/dbraw/zinc/35/89/46/179358946.db2.gz LKRGQEPDBKLIRV-INIZCTEOSA-N 3 0 267.461 2.182 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N(C)C2CC[NH+](C)CC2)CC1 ZINC000086890429 179365971 /nfs/dbraw/zinc/36/59/71/179365971.db2.gz RTTCKBCRXJABBH-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CN(CC[NH+](C)C)[C@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086913671 179367207 /nfs/dbraw/zinc/36/72/07/179367207.db2.gz SCIRPOOZIZOKHS-OAHLLOKOSA-N 2 0 255.450 2.168 10 0 CEAERP CCC[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H](C)C2)CC1 ZINC000087048518 179388130 /nfs/dbraw/zinc/38/81/30/179388130.db2.gz VRHPXDFCKOEKME-HOCLYGCPSA-N 2 0 268.445 2.392 10 0 CEAERP CC1CCC(O)(C[NH2+]CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000087062331 179389620 /nfs/dbraw/zinc/38/96/20/179389620.db2.gz FSYIHGQKUVACIW-HWOWSKLDSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)CCC[C@H](C)[NH3+])CC1 ZINC000087695559 179471843 /nfs/dbraw/zinc/47/18/43/179471843.db2.gz NPOIEYJLDLHDJB-CABCVRRESA-N 2 0 297.487 2.471 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](SCC[NH+](CC)CC)c1cnn(C)c1 ZINC000088734113 179661296 /nfs/dbraw/zinc/66/12/96/179661296.db2.gz CLDAUKZHZQLORL-KGLIPLIRSA-N 2 0 284.473 2.274 10 0 CEAERP CC[C@@H](c1ccc(C)cc1)[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC000090308086 179955013 /nfs/dbraw/zinc/95/50/13/179955013.db2.gz BNZCMYJYKJRLCK-KRWDZBQOSA-N 2 0 273.424 2.036 10 0 CEAERP CCC[NH2+][C@H]1COC[C@H]1C[NH2+]C1(C)CCCCC1 ZINC000090566665 180006380 /nfs/dbraw/zinc/00/63/80/180006380.db2.gz MSOYEZYYJSNWCO-KGLIPLIRSA-N 2 0 254.418 2.313 10 0 CEAERP C[NH2+][C@H](C)[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000090878929 180052912 /nfs/dbraw/zinc/05/29/12/180052912.db2.gz DQMOFVCAEGQLGI-WWGRRREGSA-N 2 0 292.398 2.449 10 0 CEAERP c1ccc(C2(C[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC[NH2+]CC2)cc1 ZINC000090908697 180062129 /nfs/dbraw/zinc/06/21/29/180062129.db2.gz STJFLEFIXXYCCM-CALCHBBNSA-N 2 0 286.419 2.171 10 0 CEAERP CC[C@H](C)[NH+]1CCN(Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958536 180074485 /nfs/dbraw/zinc/07/44/85/180074485.db2.gz BRXJHBDWVLYALA-RYUDHWBXSA-N 2 0 282.457 2.079 10 0 CEAERP CC(=O)Nc1ccsc1C[NH2+]C1CCC([NH3+])CC1 ZINC000090960589 180075376 /nfs/dbraw/zinc/07/53/76/180075376.db2.gz AFSHUXGVLQGGSP-UHFFFAOYSA-N 2 0 267.398 2.066 10 0 CEAERP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]c2ncccc12 ZINC000091019756 180088014 /nfs/dbraw/zinc/08/80/14/180088014.db2.gz AIXBXWJPZJSOMR-NWDGAFQWSA-N 2 0 258.369 2.122 10 0 CEAERP [NH3+]CC1([C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000669377312 539760126 /nfs/dbraw/zinc/76/01/26/539760126.db2.gz MFRCVYPPRCNEIK-QGZVFWFLSA-N 2 0 274.408 2.143 10 0 CEAERP CCC1CCC([N@H+](C)CC[C@H]2C[NH2+]CCO2)CC1 ZINC000091313877 180132498 /nfs/dbraw/zinc/13/24/98/180132498.db2.gz BBEXGRNVPGBBMP-NRXISQOPSA-N 2 0 254.418 2.266 10 0 CEAERP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)sc1[C@@H](C)[NH3+] ZINC000091429761 180153044 /nfs/dbraw/zinc/15/30/44/180153044.db2.gz OJSVYOYPGKJCFE-MWLCHTKSSA-N 2 0 268.430 2.002 10 0 CEAERP CC[NH2+][C@H](C)c1csc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091428545 180153080 /nfs/dbraw/zinc/15/30/80/180153080.db2.gz FHIQOOMKCNUWFX-NEPJUHHUSA-N 2 0 282.457 2.344 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)CC2CC(O)C2)CCCC1 ZINC000091489602 180169249 /nfs/dbraw/zinc/16/92/49/180169249.db2.gz KONCBPJKLABYPU-UHFFFAOYSA-N 2 0 268.445 2.248 10 0 CEAERP Cc1ccsc1[C@H]([C@H](C)[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091391682 180144646 /nfs/dbraw/zinc/14/46/46/180144646.db2.gz BHDZEJHMBHEKMS-IHRRRGAJSA-N 2 0 281.469 2.471 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC(C)(C)[C@@H](C)[NH2+]C)CC1 ZINC000091404647 180146848 /nfs/dbraw/zinc/14/68/48/180146848.db2.gz PRKSOUSUYKABIU-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@H](C)C(C)(C)CN1CCC([NH+](C)C)CC1 ZINC000091402893 180146853 /nfs/dbraw/zinc/14/68/53/180146853.db2.gz HJKVAPKRBGVLEY-CYBMUJFWSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000091405173 180147264 /nfs/dbraw/zinc/14/72/64/180147264.db2.gz ZJMUUKNIVNLMSG-KBPBESRZSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000091404646 180147454 /nfs/dbraw/zinc/14/74/54/180147454.db2.gz AZFIQVPYAYNIMT-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(CN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000091427212 180152017 /nfs/dbraw/zinc/15/20/17/180152017.db2.gz OCOCXMBEFSJEFT-PMPSAXMXSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)[NH2+]Cc1csc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091427476 180152054 /nfs/dbraw/zinc/15/20/54/180152054.db2.gz UTNJTHBHNVNUOJ-CYBMUJFWSA-N 2 0 282.457 2.172 10 0 CEAERP C[NH2+][C@@H](Cc1ccnc(N)c1)C1([NH+]2CCCC2)CCCC1 ZINC000091640862 180213475 /nfs/dbraw/zinc/21/34/75/180213475.db2.gz JYYRGBNRGWDLEI-HNNXBMFYSA-N 2 0 288.439 2.203 10 0 CEAERP [NH3+][C@H](c1cccc2cnccc21)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091720686 180235776 /nfs/dbraw/zinc/23/57/76/180235776.db2.gz RMHSRVXCZRPDHM-XOKHGSTOSA-N 2 0 283.375 2.098 10 0 CEAERP CCC[NH2+]Cc1csc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000091722562 180240076 /nfs/dbraw/zinc/24/00/76/180240076.db2.gz HKOMTIPUPYBVDA-OLZOCXBDSA-N 2 0 281.425 2.178 10 0 CEAERP CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C1CCC([NH3+])CC1 ZINC000091851022 180272524 /nfs/dbraw/zinc/27/25/24/180272524.db2.gz PDBIEQGSQKBOMJ-UHFFFAOYSA-N 2 0 294.395 2.466 10 0 CEAERP CC[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C1CCC([NH3+])CC1 ZINC000091850905 180272130 /nfs/dbraw/zinc/27/21/30/180272130.db2.gz SNCCLQLMEKSOPL-IYXRBSQSSA-N 2 0 283.460 2.272 10 0 CEAERP CC[N@H+]([C@@H](C)c1cnn(C)c1)C1CCC([NH3+])CC1 ZINC000091850089 180272183 /nfs/dbraw/zinc/27/21/83/180272183.db2.gz JNAPDAAJQDLPNG-XGNXJENSSA-N 2 0 250.390 2.073 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000091870491 180277285 /nfs/dbraw/zinc/27/72/85/180277285.db2.gz VVWHXRUEXXUPII-UHFFFAOYSA-N 2 0 293.386 2.227 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@H](C)C(=O)N(CC)CC)CC1 ZINC000091870353 180277495 /nfs/dbraw/zinc/27/74/95/180277495.db2.gz VXXWGPZYEOCUIJ-WLYUNCDWSA-N 2 0 283.460 2.096 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@H]2CCOC(C)(C)C2)CC1 ZINC000091870957 180277505 /nfs/dbraw/zinc/27/75/05/180277505.db2.gz WVWAPYOSSBPART-RUXDESIVSA-N 2 0 254.418 2.406 10 0 CEAERP CC[NH+]1CCC(O)(C2(C[NH3+])CCC(C)(C)CC2)CC1 ZINC000091906284 180283873 /nfs/dbraw/zinc/28/38/73/180283873.db2.gz IJUVUPJCHFPXRL-UHFFFAOYSA-N 2 0 268.445 2.379 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000092003457 180304551 /nfs/dbraw/zinc/30/45/51/180304551.db2.gz NWRKHQLHJUNSKE-CVEARBPZSA-N 2 0 288.439 2.253 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C ZINC000092082096 180319535 /nfs/dbraw/zinc/31/95/35/180319535.db2.gz VSZIKZGBJOKAFQ-BETUJISGSA-N 2 0 275.396 2.062 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2C[C@H](C)[C@H](C)C2)O1 ZINC000092089411 180321814 /nfs/dbraw/zinc/32/18/14/180321814.db2.gz MSWOFCGFFQGESM-XGUBFFRZSA-N 2 0 254.418 2.121 10 0 CEAERP NC(=[NH2+])CC[N@H+](C[C@@H]1Cc2ccccc2S1)C1CC1 ZINC000092262311 180354742 /nfs/dbraw/zinc/35/47/42/180354742.db2.gz FNOPTBHPADEDOF-ZDUSSCGKSA-N 2 0 275.421 2.494 10 0 CEAERP [NH3+]CC1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092262861 180354801 /nfs/dbraw/zinc/35/48/01/180354801.db2.gz QJVNTXZLUHSFJG-CQSZACIVSA-N 2 0 262.422 2.374 10 0 CEAERP C[N@H+](C[C@@H]1Cc2ccccc2S1)C1CC[NH2+]CC1 ZINC000092267643 180355957 /nfs/dbraw/zinc/35/59/57/180355957.db2.gz GRSICLNMTXAPBM-AWEZNQCLSA-N 2 0 262.422 2.387 10 0 CEAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2COc3ccccc32)C1 ZINC000092304503 180359960 /nfs/dbraw/zinc/35/99/60/180359960.db2.gz WSRVDVLUPKWQRK-ZIAGYGMSSA-N 2 0 260.381 2.223 10 0 CEAERP CCC[NH2+]C[C@@H](C)Cc1c(C)nn(CC[NH+](C)C)c1C ZINC000092323010 180362440 /nfs/dbraw/zinc/36/24/40/180362440.db2.gz DODGGIJSAZKLJE-ZDUSSCGKSA-N 2 0 280.460 2.240 10 0 CEAERP C[C@@H](CC(N)=[NH2+])[N@H+](C)Cc1ccnc2ccccc12 ZINC000092348154 180367209 /nfs/dbraw/zinc/36/72/09/180367209.db2.gz ZAQVBFXVYSSLFD-NSHDSACASA-N 2 0 256.353 2.381 10 0 CEAERP COc1ccc2c(c1)[C@H]([NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000092387322 180374453 /nfs/dbraw/zinc/37/44/53/180374453.db2.gz YPTIBYLRSCGBHN-CKEIUWERSA-N 2 0 272.392 2.224 10 0 CEAERP COc1ccc2c(c1)[C@@H]([NH+]1CCC([NH3+])CC1)CCC2 ZINC000092387133 180374764 /nfs/dbraw/zinc/37/47/64/180374764.db2.gz RVJRPXNLHRQQBY-INIZCTEOSA-N 2 0 260.381 2.496 10 0 CEAERP CC(C)[C@H]1CSC(N[C@@H](C)C[NH+]2CCCC2)=[NH+]1 ZINC000092402318 180377843 /nfs/dbraw/zinc/37/78/43/180377843.db2.gz SHPDUTRRQODYAY-NWDGAFQWSA-N 2 0 255.431 2.188 10 0 CEAERP CSC1(C[NH3+])CC[NH+](Cc2cccc(C)n2)CC1 ZINC000092427987 180383175 /nfs/dbraw/zinc/38/31/75/180383175.db2.gz OPIOOGIXEBCMDV-UHFFFAOYSA-N 2 0 265.426 2.046 10 0 CEAERP Clc1ccc(CC[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000107792289 186191458 /nfs/dbraw/zinc/19/14/58/186191458.db2.gz LXTGQHOPIZJLGP-CYBMUJFWSA-N 2 0 252.789 2.472 10 0 CEAERP CC[NH2+][C@H]1CCC[C@H]1c1nc(CC[NH+](CC)CC)no1 ZINC000109496095 186257000 /nfs/dbraw/zinc/25/70/00/186257000.db2.gz CVYBPTWUANEQKE-OLZOCXBDSA-N 2 0 280.416 2.200 10 0 CEAERP COc1cc2c(cc1F)[nH+]c(N)n2[C@@H](C)C[NH+]1CCCC1 ZINC000110629800 186307292 /nfs/dbraw/zinc/30/72/92/186307292.db2.gz NMFLLFYEWBBFBX-JTQLQIEISA-N 2 0 292.358 2.423 10 0 CEAERP CCOc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1O ZINC000110644501 186308229 /nfs/dbraw/zinc/30/82/29/186308229.db2.gz DYLWTSXPYOZVOD-LBPRGKRZSA-N 2 0 278.396 2.350 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110645663 186308755 /nfs/dbraw/zinc/30/87/55/186308755.db2.gz NIEIIUUVBVBRJP-MFKMUULPSA-N 2 0 264.417 2.157 10 0 CEAERP CCC[NH2+][C@@](C)(CCC[N@H+](C)CC1CCCC1)C(N)=O ZINC000110840997 186328258 /nfs/dbraw/zinc/32/82/58/186328258.db2.gz FXFZLCUGAWXHFO-INIZCTEOSA-N 2 0 283.460 2.132 10 0 CEAERP CC[NH2+]C[C@@]1(C[N@H+](C)CC2CCCC2)CCOC1 ZINC000110842075 186328912 /nfs/dbraw/zinc/32/89/12/186328912.db2.gz JKAYJEWFUOJDIT-OAHLLOKOSA-N 2 0 254.418 2.125 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2cccc(C)c2C)C[C@@H]1C ZINC000110708816 186315788 /nfs/dbraw/zinc/31/57/88/186315788.db2.gz JFEVRQCILVGLHR-YOEHRIQHSA-N 2 0 275.440 2.329 10 0 CEAERP Cc1ccc([C@H](C[NH3+])N2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000110711573 186316154 /nfs/dbraw/zinc/31/61/54/186316154.db2.gz YOQNYQAMXDABHW-INIZCTEOSA-N 2 0 275.440 2.329 10 0 CEAERP C[C@@H]1C[C@H]1c1ccc([C@@H](C[NH3+])N2CC[N@H+](C)C(C)(C)C2)o1 ZINC000110711879 186316443 /nfs/dbraw/zinc/31/64/43/186316443.db2.gz VEFYOWMIGCXNSZ-MGPQQGTHSA-N 2 0 291.439 2.429 10 0 CEAERP CC[NH2+][C@@H](CCN1CC[N@H+](C)[C@@H](CC)C1)C(C)(C)C ZINC000110746171 186318771 /nfs/dbraw/zinc/31/87/71/186318771.db2.gz BYCDGCBRIYQKML-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@H]1CN(CC[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC000110757515 186321052 /nfs/dbraw/zinc/32/10/52/186321052.db2.gz GIFOHONEDZZHHE-AWEZNQCLSA-N 2 0 255.450 2.038 10 0 CEAERP CCC[NH2+]Cc1cnc(N2CC[N@H+](C)C(C)(C)C2)s1 ZINC000110758759 186321617 /nfs/dbraw/zinc/32/16/17/186321617.db2.gz ONBVERSOKSZWLU-UHFFFAOYSA-N 2 0 282.457 2.173 10 0 CEAERP CC(C)[NH2+]Cc1ccccc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000110752275 186321808 /nfs/dbraw/zinc/32/18/08/186321808.db2.gz JXRIEAKKFWVBBL-HNNXBMFYSA-N 2 0 275.440 2.321 10 0 CEAERP O=c1[nH]c([NH2+]CC[C@@H]2CCC[NH2+]C2)cc2ccccc21 ZINC000110793312 186325012 /nfs/dbraw/zinc/32/50/12/186325012.db2.gz UZOIHXBHRXTVGF-LBPRGKRZSA-N 2 0 271.364 2.330 10 0 CEAERP CC[NH2+]Cc1cccc(OCCN(C)CCC[NH+](C)C)c1 ZINC000111150347 186361248 /nfs/dbraw/zinc/36/12/48/186361248.db2.gz QYPNZVBXKYGVFS-UHFFFAOYSA-N 2 0 293.455 2.058 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N(C)CCC[NH+](C)C)cc1F ZINC000111133549 186356093 /nfs/dbraw/zinc/35/60/93/186356093.db2.gz UHJDZWQLJYIGFC-OAHLLOKOSA-N 2 0 267.392 2.017 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000111132405 186356638 /nfs/dbraw/zinc/35/66/38/186356638.db2.gz BLKADLMTDWPAHW-LBPRGKRZSA-N 2 0 290.238 2.487 10 0 CEAERP CC(C)C[NH2+]Cc1ccccc1N(C)CC[NH+](C)C ZINC000111140595 186356943 /nfs/dbraw/zinc/35/69/43/186356943.db2.gz ZCXBVYZXEYPBIW-UHFFFAOYSA-N 2 0 263.429 2.430 10 0 CEAERP C[NH2+][C@H](CN(C)CCC[NH+](C)C)c1cc(C)ccc1OC ZINC000111135905 186357002 /nfs/dbraw/zinc/35/70/02/186357002.db2.gz CJCTYKUSFJAHFT-MRXNPFEDSA-N 2 0 293.455 2.148 10 0 CEAERP CC[NH2+][C@@H](CN(C)CCC[NH+](C)C)c1cccc(OC)c1 ZINC000111135944 186357079 /nfs/dbraw/zinc/35/70/79/186357079.db2.gz ZYGFWPPBIAIAHD-KRWDZBQOSA-N 2 0 293.455 2.229 10 0 CEAERP CC[NH2+][C@@H]1CCCCCC[C@H]1N(C)CC[NH+](C)C ZINC000111135485 186357239 /nfs/dbraw/zinc/35/72/39/186357239.db2.gz DKURWPHEWYPGDV-HUUCEWRRSA-N 2 0 255.450 2.181 10 0 CEAERP CCCc1ccc([C@@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134890 186357314 /nfs/dbraw/zinc/35/73/14/186357314.db2.gz UALHHFIOZNFBDS-QGZVFWFLSA-N 2 0 277.456 2.393 10 0 CEAERP CC[NH2+][C@H](CCN(C)CC[NH+](C)C)c1cccc(F)c1 ZINC000111147479 186358261 /nfs/dbraw/zinc/35/82/61/186358261.db2.gz GTQWTHCALZZHTF-MRXNPFEDSA-N 2 0 281.419 2.360 10 0 CEAERP C[NH2+][C@H](CCN(C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000111147682 186358675 /nfs/dbraw/zinc/35/86/75/186358675.db2.gz RRCGTQSGLVRUDY-MRXNPFEDSA-N 2 0 281.419 2.360 10 0 CEAERP CC[NH2+]C[C@](C)(CN(C)CCC[NH+](C)C)c1ccccc1 ZINC000111147527 186358757 /nfs/dbraw/zinc/35/87/57/186358757.db2.gz SHFKQNDOGIMPOE-GOSISDBHSA-N 2 0 291.483 2.437 10 0 CEAERP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCc2ccccc2[C@@H]1O ZINC000111143929 186358850 /nfs/dbraw/zinc/35/88/50/186358850.db2.gz WAYTWUFZTNEXJI-SJORKVTESA-N 2 0 276.424 2.308 10 0 CEAERP CC(C)C[NH2+]Cc1ccc(N(C)CCC[NH+](C)C)nc1 ZINC000111149217 186358987 /nfs/dbraw/zinc/35/89/87/186358987.db2.gz UCHSXNZMJJNEJV-UHFFFAOYSA-N 2 0 278.444 2.215 10 0 CEAERP C[NH+](C)CCC[N@H+](C)[C@H]1CCCc2ccccc2[C@@H]1O ZINC000111143935 186359106 /nfs/dbraw/zinc/35/91/06/186359106.db2.gz WAYTWUFZTNEXJI-IRXDYDNUSA-N 2 0 276.424 2.308 10 0 CEAERP CN(CC[C@H]([NH3+])c1cccc(Cl)c1)CC[NH+](C)C ZINC000111147072 186359503 /nfs/dbraw/zinc/35/95/03/186359503.db2.gz KZYXBCLKWKQVNU-AWEZNQCLSA-N 2 0 269.820 2.223 10 0 CEAERP C[NH2+][C@@H](CCN(C)CC[NH+](C)C)c1ccc(C)cc1 ZINC000111147048 186359565 /nfs/dbraw/zinc/35/95/65/186359565.db2.gz PYTJAHRMKRBEDC-INIZCTEOSA-N 2 0 263.429 2.139 10 0 CEAERP CC(C)(C)[NH2+]C[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000111164417 186364049 /nfs/dbraw/zinc/36/40/49/186364049.db2.gz VFTGSTYFHIXNQP-AWEZNQCLSA-N 2 0 254.418 2.123 10 0 CEAERP CCC(CC)(C[NH2+]C)C[N@H+](C)C[C@H]1CCCOC1 ZINC000111171616 186365683 /nfs/dbraw/zinc/36/56/83/186365683.db2.gz OEHWSPYFDGUMME-CQSZACIVSA-N 2 0 256.434 2.371 10 0 CEAERP CCC(CC)(C[NH2+]C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111171613 186365937 /nfs/dbraw/zinc/36/59/37/186365937.db2.gz OEHWSPYFDGUMME-AWEZNQCLSA-N 2 0 256.434 2.371 10 0 CEAERP CC(C)C[N@H+](C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111324863 186398538 /nfs/dbraw/zinc/39/85/38/186398538.db2.gz RRDLYQSGPKUUKN-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CC[N@H+](C[C@]1(C[NH2+]C2CC2)CCCOC1)C(C)C ZINC000111324777 186398991 /nfs/dbraw/zinc/39/89/91/186398991.db2.gz QQERPWURCPDVMY-OAHLLOKOSA-N 2 0 254.418 2.266 10 0 CEAERP C[N@H+](C[C@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CCOCC1 ZINC000111325768 186399274 /nfs/dbraw/zinc/39/92/74/186399274.db2.gz FOAFQYMRNRCKKK-QGZVFWFLSA-N 2 0 298.471 2.282 10 0 CEAERP COCC[N@H+](CC(C)C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111326496 186399302 /nfs/dbraw/zinc/39/93/02/186399302.db2.gz SZYBHZYSSLNDHK-QGZVFWFLSA-N 2 0 298.471 2.140 10 0 CEAERP CO[C@H]1C[N@H+](CCC(C)(C)C2CC2)[C@](C)(C[NH3+])C1 ZINC000630369556 351714642 /nfs/dbraw/zinc/71/46/42/351714642.db2.gz WJHCKBUZBGMYIT-HIFRSBDPSA-N 2 0 254.418 2.251 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1ccc(I)cc1 ZINC000575439412 366287753 /nfs/dbraw/zinc/28/77/53/366287753.db2.gz JLFUKMWXPOMWFQ-SNVBAGLBSA-N 2 0 290.148 2.030 10 0 CEAERP [NH3+]CCC[C@@H]([NH3+])c1c(F)cccc1Br ZINC000575440011 366287918 /nfs/dbraw/zinc/28/79/18/366287918.db2.gz RENCLGXGBSWUHP-SECBINFHSA-N 2 0 261.138 2.327 10 0 CEAERP CC[NH+](CC)CC1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1 ZINC000136200381 366503764 /nfs/dbraw/zinc/50/37/64/366503764.db2.gz FFGCVVDAGYUDFG-QGZVFWFLSA-N 2 0 295.471 2.099 10 0 CEAERP c1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680145311 541371438 /nfs/dbraw/zinc/37/14/38/541371438.db2.gz NUFJRHYRQLGBAE-RCCFBDPRSA-N 2 0 296.418 2.410 10 0 CEAERP C[C@H]1C[N@H+](CCCOc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631842622 367583247 /nfs/dbraw/zinc/58/32/47/367583247.db2.gz CTTDDKRSKVHHFW-QWHCGFSZSA-N 2 0 266.360 2.121 10 0 CEAERP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000343518268 367857782 /nfs/dbraw/zinc/85/77/82/367857782.db2.gz SVCAQIMFSBRXCM-KYEXWDHISA-N 2 0 254.418 2.262 10 0 CEAERP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211869321 370164258 /nfs/dbraw/zinc/16/42/58/370164258.db2.gz LOWGFGQQCHRUFT-KBXCAEBGSA-N 2 0 285.435 2.001 10 0 CEAERP CCc1nccn1[C@@H]1CCCN([C@H](CC)C(=O)OC)C1 ZINC000247147794 371070830 /nfs/dbraw/zinc/07/08/30/371070830.db2.gz LIEZLJZVTJGDOA-CHWSQXEVSA-N 2 0 279.384 2.034 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCOc3ccccc3Cl)C[C@@H]12 ZINC000261586087 371664489 /nfs/dbraw/zinc/66/44/89/371664489.db2.gz ITGDTTJRZSSGRW-OUCADQQQSA-N 2 0 280.799 2.388 10 0 CEAERP COC[C@@]1(CNc2cc[nH+]c(C)c2Cl)CCC[NH2+]1 ZINC000261583101 371661458 /nfs/dbraw/zinc/66/14/58/371661458.db2.gz RNADBTNCXDUBGU-ZDUSSCGKSA-N 2 0 269.776 2.224 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3scnc3C3CC3)C[C@H]12 ZINC000261755617 371721651 /nfs/dbraw/zinc/72/16/51/371721651.db2.gz CNBOOZTVMOUECM-GRYCIOLGSA-N 2 0 263.410 2.190 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]12 ZINC000261765186 371724233 /nfs/dbraw/zinc/72/42/33/371724233.db2.gz OCTVSOGPCIZWNQ-OWCLPIDISA-N 2 0 267.376 2.404 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)C[C@H]12 ZINC000261844831 371747239 /nfs/dbraw/zinc/74/72/39/371747239.db2.gz WBETWCVKQSJNIF-KWCYVHTRSA-N 2 0 282.334 2.457 10 0 CEAERP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cs1 ZINC000261925572 371773278 /nfs/dbraw/zinc/77/32/78/371773278.db2.gz LAMZDDDBZPYYEC-RBSFLKMASA-N 2 0 280.437 2.037 10 0 CEAERP FC(F)(F)C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000262043119 371811333 /nfs/dbraw/zinc/81/13/33/371811333.db2.gz YQEWIFZMLJTUCV-MNOVXSKESA-N 2 0 250.308 2.260 10 0 CEAERP C(C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000262274971 371846064 /nfs/dbraw/zinc/84/60/64/371846064.db2.gz SZDWUOMKZLPEHB-CQSZACIVSA-N 2 0 290.411 2.126 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400348169 284609269 /nfs/dbraw/zinc/60/92/69/284609269.db2.gz IKTUKZKRXQXMFH-RRFJBIMHSA-N 3 0 255.450 2.085 10 0 CEAERP CC[N@H+](CCO)CCNc1cc(C)[nH+]c2ccccc12 ZINC000302222754 379335503 /nfs/dbraw/zinc/33/55/03/379335503.db2.gz OVSHJVLDNWEWKN-UHFFFAOYSA-N 2 0 273.380 2.269 10 0 CEAERP CC[N@H+](CCO)CCNc1cc[nH+]c2c(C)cccc12 ZINC000302227505 379337716 /nfs/dbraw/zinc/33/77/16/379337716.db2.gz UPFVRBQZASYBFH-UHFFFAOYSA-N 2 0 273.380 2.269 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C)[C@@H](C)C[NH2+]C(C)C)CC1 ZINC000093070153 184646460 /nfs/dbraw/zinc/64/64/60/184646460.db2.gz YEEZLRKVVVYXJX-HRCADAONSA-N 2 0 269.477 2.425 10 0 CEAERP Cc1csc(CC[NH2+]CC2CCC(C[NH3+])CC2)n1 ZINC000093426419 184674368 /nfs/dbraw/zinc/67/43/68/184674368.db2.gz PNHLVBCCTUNHCQ-UHFFFAOYSA-N 2 0 267.442 2.349 10 0 CEAERP OC[C@@]1(Cc2ccccc2)CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262054050 285283528 /nfs/dbraw/zinc/28/35/28/285283528.db2.gz ZXIQVZMXZQFANF-SFHVURJKSA-N 2 0 288.435 2.056 10 0 CEAERP C[NH2+][C@@H](CN1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C)cc1C ZINC000094459658 184804586 /nfs/dbraw/zinc/80/45/86/184804586.db2.gz AGCQZPBZEQBGDL-AEFFLSMTSA-N 2 0 287.451 2.344 10 0 CEAERP CCN(CC1CC[NH2+]CC1)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000094022541 184750726 /nfs/dbraw/zinc/75/07/26/184750726.db2.gz VEEDLQKDWWBVSX-KKUMJFAQSA-N 2 0 295.471 2.096 10 0 CEAERP CCC[N@H+](CC1CC[NH2+]CC1)CC1(O)CCCC1 ZINC000094025444 184751264 /nfs/dbraw/zinc/75/12/64/184751264.db2.gz WRKYJMUERRZHNQ-UHFFFAOYSA-N 2 0 254.418 2.003 10 0 CEAERP C[NH2+][C@@H]1[C@@H](N2CCC[C@@H]2C[NH+](C)C)CCCC1(C)C ZINC000094275298 184774364 /nfs/dbraw/zinc/77/43/64/184774364.db2.gz IQRYIZRSPHFWPI-QLFBSQMISA-N 2 0 267.461 2.179 10 0 CEAERP C[NH+](C)CC1CC[NH+](C[C@H]2CCCC(C)(C)[C@H]2O)CC1 ZINC000094289415 184776148 /nfs/dbraw/zinc/77/61/48/184776148.db2.gz NEEGGDVBIOBYAB-CVEARBPZSA-N 2 0 282.472 2.447 10 0 CEAERP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000094425671 184796776 /nfs/dbraw/zinc/79/67/76/184796776.db2.gz WPZHAIYDFSVJBZ-DGCLKSJQSA-N 2 0 254.418 2.392 10 0 CEAERP C[NH2+]CC1CC[NH+]([C@H]2CSCCC2(C)C)CC1 ZINC000094484850 184809657 /nfs/dbraw/zinc/80/96/57/184809657.db2.gz DUOCJVGDMCEKLV-ZDUSSCGKSA-N 2 0 256.459 2.450 10 0 CEAERP CC(C)[NH2+]Cc1cccc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000091432342 135069865 /nfs/dbraw/zinc/06/98/65/135069865.db2.gz UFCMCKQMCMFONV-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP CC(C)C[NH2+]Cc1cccc(N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000091430237 135069953 /nfs/dbraw/zinc/06/99/53/135069953.db2.gz GZGZWLAYXUNLHG-MRXNPFEDSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH2+]Cc1cccnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091429047 135070040 /nfs/dbraw/zinc/07/00/40/135070040.db2.gz VRDNSZUCLQRYSV-INIZCTEOSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)[NH2+]Cc1ccnc(N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091449780 135070628 /nfs/dbraw/zinc/07/06/28/135070628.db2.gz BLCPBCKWGJZAIQ-HNNXBMFYSA-N 2 0 276.428 2.110 10 0 CEAERP C[C@@H]1Cc2ccccc2N(CC[NH+]2CCC([NH3+])CC2)C1 ZINC000092721515 135076743 /nfs/dbraw/zinc/07/67/43/135076743.db2.gz XSFKHRVJTLVQBG-CQSZACIVSA-N 2 0 273.424 2.108 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000093224241 135079718 /nfs/dbraw/zinc/07/97/18/135079718.db2.gz KGAGJHPHXVMYLS-UKRRQHHQSA-N 2 0 279.815 2.342 10 0 CEAERP Cc1cc(C)c(C[NH3+])c(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000094443290 135088468 /nfs/dbraw/zinc/08/84/68/135088468.db2.gz LEFXROYZHMAUCF-GJZGRUSLSA-N 2 0 288.439 2.220 10 0 CEAERP CC[NH2+]Cc1cccnc1N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094443293 135088900 /nfs/dbraw/zinc/08/89/00/135088900.db2.gz GXUIRCXJSCIMRK-GOEBONIOSA-N 2 0 288.439 2.254 10 0 CEAERP Cc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301635528 394463651 /nfs/dbraw/zinc/46/36/51/394463651.db2.gz DXRZOIZSIGBWSC-IRXDYDNUSA-N 2 0 283.375 2.062 10 0 CEAERP C[C@H]1[C@H](N2C[C@@H](C)[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000306778922 394517885 /nfs/dbraw/zinc/51/78/85/394517885.db2.gz SMQPPMIXJOBFIE-XLMAVXFVSA-N 2 0 287.451 2.332 10 0 CEAERP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000343518273 395040599 /nfs/dbraw/zinc/04/05/99/395040599.db2.gz SVCAQIMFSBRXCM-UXXRCYHCSA-N 2 0 254.418 2.262 10 0 CEAERP CCC[C@@](C)([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000262718190 153974721 /nfs/dbraw/zinc/97/47/21/153974721.db2.gz XGYFRFAOGGLHAX-MRXNPFEDSA-N 2 0 283.460 2.084 10 0 CEAERP Cc1ccc(-c2cccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)c2)cc1 ZINC000263283189 154049571 /nfs/dbraw/zinc/04/95/71/154049571.db2.gz UOYVRABWMJCYTR-MOPGFXCFSA-N 2 0 296.414 2.332 10 0 CEAERP O[C@@H](CNc1cc[nH+]c2ccccc12)C[NH+]1CCCCC1 ZINC000174685875 165115848 /nfs/dbraw/zinc/11/58/48/165115848.db2.gz AZJSPSYESIRWID-AWEZNQCLSA-N 2 0 285.391 2.494 10 0 CEAERP CCCCCC[C@](C)(C[NH3+])N1CCC[N@H+](C)CC1 ZINC000020520454 171233924 /nfs/dbraw/zinc/23/39/24/171233924.db2.gz IUEQAMGFAQIVGK-OAHLLOKOSA-N 2 0 255.450 2.312 10 0 CEAERP CC[C@H](C)CN(C)C1(C[NH3+])CC[NH+](C(C)C)CC1 ZINC000037172721 173006615 /nfs/dbraw/zinc/00/66/15/173006615.db2.gz IYMBVJFEEUSMNK-AWEZNQCLSA-N 2 0 255.450 2.166 10 0 CEAERP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000037484578 173228823 /nfs/dbraw/zinc/22/88/23/173228823.db2.gz WECHEBPGFWKSRF-LBPRGKRZSA-N 2 0 283.213 2.490 10 0 CEAERP [NH3+]C[C@@H](c1ccco1)N1CCC([NH+]2CCCCC2)CC1 ZINC000040693739 174377718 /nfs/dbraw/zinc/37/77/18/174377718.db2.gz NICGZGXBDHNTON-HNNXBMFYSA-N 2 0 277.412 2.230 10 0 CEAERP C[C@@]([NH3+])(CN1CCC([NH+]2CCCCC2)CC1)C1CC1 ZINC000040694482 174378130 /nfs/dbraw/zinc/37/81/30/174378130.db2.gz RTEUHWZNNPDHDK-MRXNPFEDSA-N 2 0 265.445 2.064 10 0 CEAERP Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc(C)c1O ZINC000040749193 174393799 /nfs/dbraw/zinc/39/37/99/174393799.db2.gz QIVUYGGUZSBSPF-GOOCMWNKSA-N 2 0 260.381 2.463 10 0 CEAERP C[C@@H](c1ccc2c(c1)OCCO2)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748963 174393867 /nfs/dbraw/zinc/39/38/67/174393867.db2.gz WEDZDVFPJFVZOR-PRTUASRFSA-N 2 0 288.391 2.473 10 0 CEAERP CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)ccc1O ZINC000040749264 174394041 /nfs/dbraw/zinc/39/40/41/174394041.db2.gz ZINHKPIYCXZLEZ-AGUYFDCRSA-N 2 0 276.380 2.245 10 0 CEAERP CCO[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405872827 414796623 /nfs/dbraw/zinc/79/66/23/414796623.db2.gz RCLBDAPJDYJWOD-NEXFUWMNSA-N 2 0 254.418 2.108 10 0 CEAERP Cc1ccccc1[C@@H](N)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042392802 174707285 /nfs/dbraw/zinc/70/72/85/174707285.db2.gz RXRQTAXRALRLKX-KRWDZBQOSA-N 2 0 275.440 2.268 10 0 CEAERP c1ccc(N[C@@H]2CCC[NH2+]C2)c(C[NH+]2CCCC2)c1 ZINC000043326717 175007923 /nfs/dbraw/zinc/00/79/23/175007923.db2.gz FUWJVLUIOYNVJS-OAHLLOKOSA-N 2 0 259.397 2.446 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(C)C1CC[NH+](CC)CC1 ZINC000043348521 175018942 /nfs/dbraw/zinc/01/89/42/175018942.db2.gz XAWYURZSTMNVOQ-IAGOWNOFSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N1CCC[N@H+](C)CC1 ZINC000043363933 175024645 /nfs/dbraw/zinc/02/46/45/175024645.db2.gz FKODOIFEQZKTHS-HIFRSBDPSA-N 2 0 265.401 2.004 10 0 CEAERP CC[NH+]1CCN([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000043805776 175107653 /nfs/dbraw/zinc/10/76/53/175107653.db2.gz AZACTZCVZLALCI-PMPSAXMXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000043810747 175110232 /nfs/dbraw/zinc/11/02/32/175110232.db2.gz PLUUVZFLUJNTMD-JYJNAYRXSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000043810798 175110361 /nfs/dbraw/zinc/11/03/61/175110361.db2.gz NIACUGBETPRNNY-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP C[NH2+][C@@H]1CCCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815199 175111964 /nfs/dbraw/zinc/11/19/64/175111964.db2.gz SCWLORNUSLFJRL-HZPDHXFCSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H](CN1CCC[N@H+](C)CC1)c1ccc(C)cc1C ZINC000043818149 175113417 /nfs/dbraw/zinc/11/34/17/175113417.db2.gz JSSJPJRATWLNSL-QGZVFWFLSA-N 2 0 275.440 2.201 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000043896874 175119538 /nfs/dbraw/zinc/11/95/38/175119538.db2.gz OMYFSVLEMPZRJL-WBVHZDCISA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@@H](C)N1CC[NH+](C2CC2)CC1 ZINC000043967512 175128660 /nfs/dbraw/zinc/12/86/60/175128660.db2.gz XWKLUVJQDHSXAS-PBHICJAKSA-N 2 0 273.424 2.116 10 0 CEAERP CC[NH2+][C@@H]1c2ccccc2C[C@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967714 175129206 /nfs/dbraw/zinc/12/92/06/175129206.db2.gz CAXAZZAPZZSVEL-QZTJIDSGSA-N 2 0 285.435 2.042 10 0 CEAERP CCC[NH2+][C@H](C)CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000043970813 175132070 /nfs/dbraw/zinc/13/20/70/175132070.db2.gz ZPKCYHXQWSRFFI-CQSZACIVSA-N 3 0 255.450 2.038 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3cc(O)ccc32)C1 ZINC000044747328 175243300 /nfs/dbraw/zinc/24/33/00/175243300.db2.gz WIXDUPCQTNTCEU-MLGOLLRUSA-N 2 0 260.381 2.311 10 0 CEAERP CC[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000044798069 175254537 /nfs/dbraw/zinc/25/45/37/175254537.db2.gz GVGKBUMWKQYCSG-ZBFHGGJFSA-N 2 0 291.439 2.171 10 0 CEAERP C[NH2+][C@@H](C)c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000045113985 175311259 /nfs/dbraw/zinc/31/12/59/175311259.db2.gz VMBXJTDAXSXPQT-RYUDHWBXSA-N 2 0 278.400 2.039 10 0 CEAERP CCCC[N@H+](C)CCCC[C@](C)([NH2+]C(C)C)C(N)=O ZINC000045368275 175363076 /nfs/dbraw/zinc/36/30/76/175363076.db2.gz DIYLKUSKHWNLJE-HNNXBMFYSA-N 2 0 271.449 2.131 10 0 CEAERP CCC[NH2+][C@@](C)(CCCC[N@H+](C)C[C@@H](C)CC)C(N)=O ZINC000045388537 175374204 /nfs/dbraw/zinc/37/42/04/175374204.db2.gz CLTUDHBZKYVNMP-HOCLYGCPSA-N 2 0 285.476 2.378 10 0 CEAERP CCC[C@@H]1C[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CCO1 ZINC000070368351 175897706 /nfs/dbraw/zinc/89/77/06/175897706.db2.gz BMAHQPMDOYRIAX-BPLDGKMQSA-N 2 0 254.418 2.393 10 0 CEAERP CCOc1cccc([C@@H]([NH3+])Cc2c[nH+]ccc2N)c1 ZINC000070400626 175910587 /nfs/dbraw/zinc/91/05/87/175910587.db2.gz RCFSEIGBEOEKPS-HNNXBMFYSA-N 2 0 257.337 2.305 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)N1CC[C@H]([NH2+]C(C)C)C1=O ZINC000071038066 176026538 /nfs/dbraw/zinc/02/65/38/176026538.db2.gz RSIXCTNSSINIES-CABCVRRESA-N 2 0 283.460 2.096 10 0 CEAERP CC[C@@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000071124827 176034877 /nfs/dbraw/zinc/03/48/77/176034877.db2.gz NNTOKWSDWXDTNB-IKGGRYGDSA-N 2 0 279.472 2.454 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000071161496 176046013 /nfs/dbraw/zinc/04/60/13/176046013.db2.gz WYFOXAUXTCZQLV-ZBFHGGJFSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCCC[C@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000071161862 176046146 /nfs/dbraw/zinc/04/61/46/176046146.db2.gz NLSJIXQXJNXJEJ-IAGOWNOFSA-N 2 0 279.472 2.312 10 0 CEAERP Cc1ccsc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187964 176061421 /nfs/dbraw/zinc/06/14/21/176061421.db2.gz DBMRNSSNONXJMR-BFHYXJOUSA-N 2 0 281.469 2.328 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccsc1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187889 176062121 /nfs/dbraw/zinc/06/21/21/176062121.db2.gz RECVWYGWRZSUPG-BPLDGKMQSA-N 2 0 281.469 2.410 10 0 CEAERP CCC[C@@H]1CC[C@H](C[NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188218 176062585 /nfs/dbraw/zinc/06/25/85/176062585.db2.gz QQFJLNSMDZZAGG-QBPKDAKJSA-N 2 0 281.488 2.414 10 0 CEAERP CN(C[C@H]1CC[N@H+](C)C1)C1(C[NH3+])CCCCCCC1 ZINC000071188560 176062593 /nfs/dbraw/zinc/06/25/93/176062593.db2.gz XCKWCHHIPJEWBS-HNNXBMFYSA-N 2 0 267.461 2.312 10 0 CEAERP CCC[C@@H]([NH2+]CC)[C@@H](CC)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188817 176063896 /nfs/dbraw/zinc/06/38/96/176063896.db2.gz HQWHZMUAKXXURI-BZUAXINKSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189010 176064802 /nfs/dbraw/zinc/06/48/02/176064802.db2.gz BGOKIQAFQOGVDV-HZMVEIRTSA-N 2 0 281.488 2.427 10 0 CEAERP CC[C@H]([C@@H](O)c1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190588 176066162 /nfs/dbraw/zinc/06/61/62/176066162.db2.gz FLUJEAHBDVTLQY-OIISXLGYSA-N 2 0 276.424 2.382 10 0 CEAERP COc1ccc([C@H](O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000071190644 176068384 /nfs/dbraw/zinc/06/83/84/176068384.db2.gz PLAVFWITHWRGIC-CKEIUWERSA-N 2 0 292.423 2.001 10 0 CEAERP CC[NH2+]CC1(CN(C)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000071191434 176069398 /nfs/dbraw/zinc/06/93/98/176069398.db2.gz GQRFNYHQCBKOBZ-OAHLLOKOSA-N 2 0 267.461 2.040 10 0 CEAERP CN(C[C@@H]1CC[N@H+](C)C1)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000071191636 176070801 /nfs/dbraw/zinc/07/08/01/176070801.db2.gz ZVRNNIQNDDXAAU-CQSZACIVSA-N 2 0 290.455 2.358 10 0 CEAERP CCC[NH2+]Cc1oc(CN(C)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC000071192036 176071265 /nfs/dbraw/zinc/07/12/65/176071265.db2.gz YHMDVJWDYNPZRG-OAHLLOKOSA-N 2 0 293.455 2.471 10 0 CEAERP CCC[NH2+]Cc1cc(CN(C)C[C@H]2CC[N@H+](C)C2)oc1C ZINC000071191947 176071334 /nfs/dbraw/zinc/07/13/34/176071334.db2.gz VTQIQELNGKPSOZ-HNNXBMFYSA-N 2 0 293.455 2.471 10 0 CEAERP Cc1oc(C[NH2+]C2CC2)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192077 176073499 /nfs/dbraw/zinc/07/34/99/176073499.db2.gz MDKYDJMSXOBXQH-AWEZNQCLSA-N 2 0 291.439 2.224 10 0 CEAERP [NH3+]Cc1cc(F)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000071263469 176096945 /nfs/dbraw/zinc/09/69/45/176096945.db2.gz UOIKBEVOMPMZQC-UHFFFAOYSA-N 2 0 280.387 2.411 10 0 CEAERP CC(C)(C)[NH+]1CCN(Cc2ccc(F)cc2C(N)=[NH2+])CC1 ZINC000071267791 176100907 /nfs/dbraw/zinc/10/09/07/176100907.db2.gz MUYPBYGKYUXDAC-UHFFFAOYSA-N 2 0 292.402 2.026 10 0 CEAERP CCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2C(N)=[NH2+])C1 ZINC000071267869 176101651 /nfs/dbraw/zinc/10/16/51/176101651.db2.gz YYLOLDAUUOLJDF-ZDUSSCGKSA-N 2 0 279.359 2.111 10 0 CEAERP C[C@H]1C[N@H+](CCCCCC[NH2+]C2CC2)CCCO1 ZINC000071289845 176110175 /nfs/dbraw/zinc/11/01/75/176110175.db2.gz BNJVASYSUHHLOQ-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP C[NH2+]CCCCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000071289752 176110680 /nfs/dbraw/zinc/11/06/80/176110680.db2.gz PWWMNUVWKBRCMB-GJZGRUSLSA-N 2 0 254.418 2.410 10 0 CEAERP [NH3+][C@H](CCC[NH+]1CCN(C2CC2)CC1)c1ccccc1 ZINC000071401841 176153756 /nfs/dbraw/zinc/15/37/56/176153756.db2.gz GNHGFZDXOALMOW-QGZVFWFLSA-N 2 0 273.424 2.247 10 0 CEAERP CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000078005379 177316737 /nfs/dbraw/zinc/31/67/37/177316737.db2.gz CXSFBCOBUOBFPY-CABCVRRESA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH+]1CCC(NC(=O)CC[C@H](CC)CC[NH3+])CC1 ZINC000079212013 177447587 /nfs/dbraw/zinc/44/75/87/177447587.db2.gz XXPMLVPPBQKWAL-AWEZNQCLSA-N 2 0 283.460 2.132 10 0 CEAERP CC[C@H](CC[NH3+])CCC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000079213319 177448475 /nfs/dbraw/zinc/44/84/75/177448475.db2.gz DDEZMLXBADDCLD-LSDHHAIUSA-N 2 0 283.460 2.084 10 0 CEAERP CCC[C@@H](CC[NH3+])CCC(=O)NC[C@@H](C(C)C)[NH+](C)C ZINC000079239986 177454040 /nfs/dbraw/zinc/45/40/40/177454040.db2.gz OXUWLHSMWUQFPT-CABCVRRESA-N 2 0 285.476 2.234 10 0 CEAERP CC[NH+](CC)CCNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079288365 177464161 /nfs/dbraw/zinc/46/41/61/177464161.db2.gz CIDRNYYGRGBOAL-CQSZACIVSA-N 2 0 285.476 2.236 10 0 CEAERP C[C@@H](C[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390619011 262228834 /nfs/dbraw/zinc/22/88/34/262228834.db2.gz YZAXPUDZWAVTHJ-LNRIEFBSSA-N 2 0 273.424 2.119 10 0 CEAERP CC[N@@H+]1CCC[C@H](N[C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000252775090 279323681 /nfs/dbraw/zinc/32/36/81/279323681.db2.gz JYYMZFJPKPVCIS-RCBQFDQVSA-N 2 0 259.397 2.205 10 0 CEAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1CO ZINC000261569612 298877761 /nfs/dbraw/zinc/87/77/61/298877761.db2.gz NBGFGIVRPXWZMQ-UGUYLWEFSA-N 2 0 268.445 2.438 10 0 CEAERP Cc1cccnc1CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000566088899 313848809 /nfs/dbraw/zinc/84/88/09/313848809.db2.gz JSIOXWFWBBWNNB-LSDHHAIUSA-N 2 0 261.413 2.300 10 0 CEAERP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000384401575 321852649 /nfs/dbraw/zinc/85/26/49/321852649.db2.gz CQQPNEXZCJDUBQ-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccco2)O1 ZINC000052456873 519724014 /nfs/dbraw/zinc/72/40/14/519724014.db2.gz LGHMTYUDOLJAJZ-DZGCQCFKSA-N 2 0 266.385 2.257 10 0 CEAERP CC(C)[C@H](C[NH2+]C(C)(C)C)N1CC[NH+](C(C)C)CC1 ZINC000052479961 519815817 /nfs/dbraw/zinc/81/58/17/519815817.db2.gz AGHSKYGKXIOWOK-HNNXBMFYSA-N 2 0 269.477 2.425 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@@H](C[N@@H+]2CCc3sccc3C2)O1 ZINC000052416592 519953703 /nfs/dbraw/zinc/95/37/03/519953703.db2.gz WQULCUMJCYVVCC-KBPBESRZSA-N 2 0 280.437 2.263 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](CC(C)C)C(C)C)nn1 ZINC000052572598 519962392 /nfs/dbraw/zinc/96/23/92/519962392.db2.gz UICDXQUJQVBMIZ-UHFFFAOYSA-N 2 0 281.448 2.144 10 0 CEAERP CCO[C@H]1CCC[N@H+](C[C@@H](C)C[NH2+]CC(C)C)C1 ZINC000052372118 520527717 /nfs/dbraw/zinc/52/77/17/520527717.db2.gz AQRBCESKARMKKX-GJZGRUSLSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]CCOC ZINC000062729544 520701200 /nfs/dbraw/zinc/70/12/00/520701200.db2.gz YCRASVOLKOUIEG-UHFFFAOYSA-N 2 0 280.412 2.143 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C(C)(C)CC ZINC000069443237 521153199 /nfs/dbraw/zinc/15/31/99/521153199.db2.gz QKKDKRDJQOUKLI-AWEZNQCLSA-N 2 0 258.406 2.168 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1c1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789001 521872941 /nfs/dbraw/zinc/87/29/41/521872941.db2.gz SETZBNMLSLWPQR-LLVKDONJSA-N 2 0 280.803 2.154 10 0 CEAERP C[C@H]([NH2+]Cc1cccc2cccnc21)[C@@H]1CC[NH2+]C1 ZINC000400545964 533931933 /nfs/dbraw/zinc/93/19/33/533931933.db2.gz WBFTUECCYXFGCW-GXTWGEPZSA-N 2 0 255.365 2.322 10 0 CEAERP C(CN1CC[C@@H]([NH+]2CCCCC2)C1)[NH2+]C1CCCCC1 ZINC000062974820 518392139 /nfs/dbraw/zinc/39/21/39/518392139.db2.gz LQJRCIWEEFAMBM-QGZVFWFLSA-N 2 0 279.472 2.469 10 0 CEAERP CC(C)(C)[NH2+]CC1(C[N@@H+]2CC[C@H](O)C2)CCCCC1 ZINC000061711765 518753382 /nfs/dbraw/zinc/75/33/82/518753382.db2.gz HGSZYWOOFMRYBF-AWEZNQCLSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N2CC[NH+](C3CC3)CC2)CC1 ZINC000054557113 519560430 /nfs/dbraw/zinc/56/04/30/519560430.db2.gz SPOJAADDYXRKDG-UHFFFAOYSA-N 2 0 279.472 2.310 10 0 CEAERP CC(C)CN(CC[NH+](C)C)C[C@](C)(C[NH3+])c1ccccc1 ZINC000051250603 519716510 /nfs/dbraw/zinc/71/65/10/519716510.db2.gz TVIZSXKULVCOOD-SFHVURJKSA-N 2 0 291.483 2.423 10 0 CEAERP CC(C)[NH2+]CCCCC[N@H+](C)Cc1cnn(C)c1 ZINC000052570404 519720484 /nfs/dbraw/zinc/72/04/84/519720484.db2.gz KADIOSQMKBMCIX-UHFFFAOYSA-N 2 0 252.406 2.020 10 0 CEAERP CC(C)[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccncc2)O1 ZINC000052481019 519725196 /nfs/dbraw/zinc/72/51/96/519725196.db2.gz OBDYMDRDNCKDIG-CVEARBPZSA-N 2 0 277.412 2.059 10 0 CEAERP CC(C)[NH2+]Cc1cc(COCC[C@@H]2CCC[N@@H+]2C)on1 ZINC000052673344 519726335 /nfs/dbraw/zinc/72/63/35/519726335.db2.gz NNVXXHVJSWJKHE-AWEZNQCLSA-N 2 0 281.400 2.174 10 0 CEAERP CC(C)[NH2+]Cc1cn(CC[N@H+](C)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000052546760 519728337 /nfs/dbraw/zinc/72/83/37/519728337.db2.gz DPYKQHBFLHXHRJ-GOEBONIOSA-N 2 0 293.459 2.287 10 0 CEAERP CC(C)C[NH+]1CCN(c2ncc(C[NH2+]C3CC3)s2)CC1 ZINC000055076346 519729064 /nfs/dbraw/zinc/72/90/64/519729064.db2.gz BVLPUJHOPPVZDU-UHFFFAOYSA-N 2 0 294.468 2.173 10 0 CEAERP CC(C)C[NH2+]CCCCC[N@@H+]1CCCN(C)CC1 ZINC000052424334 519743425 /nfs/dbraw/zinc/74/34/25/519743425.db2.gz FHTITEMQVBELRV-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH+]1CCN(Cc2c3ccccc3oc2C[NH3+])CC1 ZINC000052421870 519858638 /nfs/dbraw/zinc/85/86/38/519858638.db2.gz RCHIZQKNKHTAHZ-UHFFFAOYSA-N 2 0 287.407 2.419 10 0 CEAERP CCC[NH+]1CCN([C@@H](C[NH2+]CC(C)C)C(C)C)CC1 ZINC000052421707 519859632 /nfs/dbraw/zinc/85/96/32/519859632.db2.gz IHJORKVUZHZZMQ-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CCC[NH+]1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054554496 519860280 /nfs/dbraw/zinc/86/02/80/519860280.db2.gz HQELBNPWCPPEEM-JYJNAYRXSA-N 2 0 267.461 2.166 10 0 CEAERP CCCC1(C(=O)NCC2CC[NH+](CC)CC2)CC[NH2+]CC1 ZINC000062850067 519887938 /nfs/dbraw/zinc/88/79/38/519887938.db2.gz YWDJHSVIQBLXCG-UHFFFAOYSA-N 2 0 295.471 2.004 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1C ZINC000054628968 519908478 /nfs/dbraw/zinc/90/84/78/519908478.db2.gz QQLRXJJRCRZDLM-HMQMGEFJSA-N 2 0 279.472 2.466 10 0 CEAERP CCC[NH2+]CC(CC)(CC)CN1CC[NH+](C)CC1 ZINC000051209157 519908846 /nfs/dbraw/zinc/90/88/46/519908846.db2.gz LAMFBTHMLRQFEC-UHFFFAOYSA-N 2 0 255.450 2.040 10 0 CEAERP CCC[NH2+]C[C@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673633 519940220 /nfs/dbraw/zinc/94/02/20/519940220.db2.gz VAWSIUHOWNFBBE-ARFHVFGLSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]Cc1ccoc1CN1CCC[C@H]1C[NH+](C)C ZINC000061654466 519960338 /nfs/dbraw/zinc/96/03/38/519960338.db2.gz WQTNUKONKKXAHF-HNNXBMFYSA-N 2 0 279.428 2.305 10 0 CEAERP CC[NH2+]C[C@H](C)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702361 519969720 /nfs/dbraw/zinc/96/97/20/519969720.db2.gz OHPLHADTFMHFRM-GOEBONIOSA-N 2 0 262.397 2.276 10 0 CEAERP CC[NH2+]C[C@H]1CC[N@H+](CCc2ccc(F)cc2)C1 ZINC000053011837 519976107 /nfs/dbraw/zinc/97/61/07/519976107.db2.gz DKWXDPMJCKMJDX-CQSZACIVSA-N 2 0 250.361 2.300 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@H](C[N@H+](CCOC)C(CC)CC)O1 ZINC000052573393 519978999 /nfs/dbraw/zinc/97/89/99/519978999.db2.gz LRXLVFMLCNDZGI-HZPDHXFCSA-N 2 0 286.460 2.281 10 0 CEAERP CC[NH2+]C[C@H]1CC[C@@H](C[N@@H+]2CCc3ccccc3C2)O1 ZINC000052419167 519980054 /nfs/dbraw/zinc/98/00/54/519980054.db2.gz LTSVUODGFRJQGT-SJORKVTESA-N 2 0 274.408 2.202 10 0 CEAERP CC[NH2+]Cc1cc(C[N@H+](C)[C@@H](C)COC)c(C)o1 ZINC000052511916 519988582 /nfs/dbraw/zinc/98/85/82/519988582.db2.gz AKFREHJBFTVUIS-NSHDSACASA-N 2 0 254.374 2.164 10 0 CEAERP CC[NH2+]Cc1cc(F)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000048995548 519992784 /nfs/dbraw/zinc/99/27/84/519992784.db2.gz GUURCTZLNCQQRV-UHFFFAOYSA-N 2 0 291.414 2.467 10 0 CEAERP CC[NH2+]Cc1cc(N2CC[NH+]([C@@H](C)CC)CC2)ccn1 ZINC000055073303 519993131 /nfs/dbraw/zinc/99/31/31/519993131.db2.gz DTXDHLKJDNYRHV-AWEZNQCLSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942388 520005702 /nfs/dbraw/zinc/00/57/02/520005702.db2.gz YJGAQUFQPHMQTN-GOSISDBHSA-N 2 0 287.451 2.466 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055081864 520019944 /nfs/dbraw/zinc/01/99/44/520019944.db2.gz RICBKRGGFQXQKJ-IAGOWNOFSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N1CC[NH+](C)CC1 ZINC000054554620 520024584 /nfs/dbraw/zinc/02/45/84/520024584.db2.gz SRXYXIRGLBNXCD-ZACQAIPSSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+]Cc1occc1C[N@H+](C)CCc1ccncc1 ZINC000052483090 520031353 /nfs/dbraw/zinc/03/13/53/520031353.db2.gz GZYYBDUSZNRQBS-UHFFFAOYSA-N 2 0 273.380 2.459 10 0 CEAERP CC[NH2+][C@@H](C)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055065147 520073365 /nfs/dbraw/zinc/07/33/65/520073365.db2.gz OTHUSOVLCCPTRX-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CC[NH2+][C@H](C)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055078732 520172833 /nfs/dbraw/zinc/17/28/33/520172833.db2.gz VGSRFCZZOLWRCW-MRXNPFEDSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@H](C)c1ccc(F)cc1OCC[NH+](C)C ZINC000062747081 520177641 /nfs/dbraw/zinc/17/76/41/520177641.db2.gz VENBWLUTGHLLGA-LLVKDONJSA-N 2 0 254.349 2.437 10 0 CEAERP CCO[C@H](C[NH3+])CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000062741180 520515604 /nfs/dbraw/zinc/51/56/04/520515604.db2.gz YSQOCAUNTBUQSG-RYUDHWBXSA-N 2 0 268.426 2.421 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1[nH]cnc1C ZINC000054793732 520631561 /nfs/dbraw/zinc/63/15/61/520631561.db2.gz KXKAEEMCYZIWHC-GFCCVEGCSA-N 2 0 252.406 2.318 10 0 CEAERP CC[NH+](CC)CCNCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000053386890 520686624 /nfs/dbraw/zinc/68/66/24/520686624.db2.gz FVBQCVSQEYXTTG-GOSISDBHSA-N 2 0 289.467 2.407 10 0 CEAERP CCCCOCC[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054629605 520761679 /nfs/dbraw/zinc/76/16/79/520761679.db2.gz KIJVRQKTRCEMFI-GOOCMWNKSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH+](CC)[C@@H]1CCN([C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000062977169 520849089 /nfs/dbraw/zinc/84/90/89/520849089.db2.gz UXHRFFMOCSEEFA-WBVHZDCISA-N 2 0 291.439 2.111 10 0 CEAERP CCC[C@H](C)[NH2+]C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000063054259 521060382 /nfs/dbraw/zinc/06/03/82/521060382.db2.gz JNUJEISKFXIZJO-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@]1(COC)CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261801895 521323348 /nfs/dbraw/zinc/32/33/48/521323348.db2.gz GYHIHOJCWNPMMY-LSDHHAIUSA-N 2 0 254.418 2.267 10 0 CEAERP CC[N@@H+](Cc1ccccc1C[NH2+]C)C[C@H]1CCCO1 ZINC000052511103 521381145 /nfs/dbraw/zinc/38/11/45/521381145.db2.gz CSXMYOZDZKVKID-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CCCc1nc(N2CC[NH+](C(C)C)CC2)sc1C[NH2+]C ZINC000054997443 521532883 /nfs/dbraw/zinc/53/28/83/521532883.db2.gz IJTQDUIGBBEPQR-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CC[NH+]1CCC(N(C)[C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000052544079 521567292 /nfs/dbraw/zinc/56/72/92/521567292.db2.gz QMUGCELUQDKTJY-AWEZNQCLSA-N 2 0 255.450 2.179 10 0 CEAERP CCOC1CC[NH+](CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000050952991 521656203 /nfs/dbraw/zinc/65/62/03/521656203.db2.gz LUYDSRCOZKMSMN-AWEZNQCLSA-N 2 0 254.418 2.410 10 0 CEAERP CCCN(CC[NH+](C)C)[C@H](C)CC[NH2+]C(C)(C)C ZINC000052544302 521657656 /nfs/dbraw/zinc/65/76/56/521657656.db2.gz QNRKVPIMNAJOJR-CQSZACIVSA-N 2 0 257.466 2.427 10 0 CEAERP CCC[N@H+](CCO)C[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000053873950 521667141 /nfs/dbraw/zinc/66/71/41/521667141.db2.gz HGUSKBLBXQIQIN-CABCVRRESA-N 2 0 256.434 2.249 10 0 CEAERP CC[NH+]1CCN(Cc2occc2C[NH2+]CC(C)C)CC1 ZINC000052422309 521689548 /nfs/dbraw/zinc/68/95/48/521689548.db2.gz LULUQDPIAOBCGR-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP C[NH2+]CC1(C[N@@H+]2CCC[C@@H]2CCCO)CCCC1 ZINC000052763343 521968182 /nfs/dbraw/zinc/96/81/82/521968182.db2.gz YUNZVHXHPAWTIY-CQSZACIVSA-N 2 0 254.418 2.003 10 0 CEAERP C[NH2+]CCC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000070188792 521984670 /nfs/dbraw/zinc/98/46/70/521984670.db2.gz DLHQVEFTNOFJTA-UHFFFAOYSA-N 2 0 258.409 2.475 10 0 CEAERP C[NH+](C)[C@@H]1CCN(Cc2csc(C[NH2+]C(C)(C)C)n2)C1 ZINC000062971848 522051585 /nfs/dbraw/zinc/05/15/85/522051585.db2.gz DWSLCOVDAQCSNU-CYBMUJFWSA-N 2 0 296.484 2.167 10 0 CEAERP C[NH2+]Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)on1 ZINC000052373084 522105828 /nfs/dbraw/zinc/10/58/28/522105828.db2.gz GYFGEDFNQLFFIO-AWEZNQCLSA-N 2 0 271.364 2.384 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC2(C[NH3+])CCCCC2)CC1 ZINC000055072013 522117680 /nfs/dbraw/zinc/11/76/80/522117680.db2.gz KSZMDZXNWFQENE-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP C[NH2+]Cc1ccc(CN2CCC([NH+]3CCCCC3)CC2)o1 ZINC000052484203 522117666 /nfs/dbraw/zinc/11/76/66/522117666.db2.gz SLHFULHQTIXWOM-UHFFFAOYSA-N 2 0 291.439 2.449 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000055083590 522118103 /nfs/dbraw/zinc/11/81/03/522118103.db2.gz YNQSGYYAQZYHMM-HZPDHXFCSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2cc(F)ccc2F)CC1 ZINC000055064302 522131456 /nfs/dbraw/zinc/13/14/56/522131456.db2.gz DUAPZTDVQSFLFV-MLGOLLRUSA-N 2 0 297.393 2.381 10 0 CEAERP C[NH2+]Cc1oc2ccccc2c1CN1CCC[N@H+](C)CC1 ZINC000052424201 522159500 /nfs/dbraw/zinc/15/95/00/522159500.db2.gz RMAWAJHISYPHAH-UHFFFAOYSA-N 2 0 287.407 2.290 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N(CC[NH+](C)C)CC(C)C ZINC000052503280 522192275 /nfs/dbraw/zinc/19/22/75/522192275.db2.gz VJATYQZXYAYJGQ-OAHLLOKOSA-N 2 0 257.466 2.283 10 0 CEAERP C[NH2+][C@H](CN1CC[C@H]([NH+](C)C)C1)c1ccc(C)cc1C ZINC000062965042 522468419 /nfs/dbraw/zinc/46/84/19/522468419.db2.gz LYNVMNWZKJLBHF-DOTOQJQBSA-N 2 0 275.440 2.200 10 0 CEAERP CC[C@H]1CSC(N[C@H](C)C[NH+]2CCCCC2)=[NH+]1 ZINC000049502345 523355519 /nfs/dbraw/zinc/35/55/19/523355519.db2.gz XFEKWZVCGAIXDA-NEPJUHHUSA-N 2 0 255.431 2.332 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)CN1CC[NH+](CC(C)C)CC1 ZINC000055081754 523638947 /nfs/dbraw/zinc/63/89/47/523638947.db2.gz ZOUNCVIHJGFUIP-KRWDZBQOSA-N 2 0 281.488 2.428 10 0 CEAERP CN(c1nc(C(C)(C)C)c(C[NH3+])s1)C1CC[NH+](C)CC1 ZINC000054994887 523661167 /nfs/dbraw/zinc/66/11/67/523661167.db2.gz WHEHYVODWNUQHX-UHFFFAOYSA-N 2 0 296.484 2.430 10 0 CEAERP COCC[N@H+](CC1(C[NH2+]CC(C)C)CCOCC1)C1CC1 ZINC000052183073 523689491 /nfs/dbraw/zinc/68/94/91/523689491.db2.gz RQSVWIBQXLDTGA-UHFFFAOYSA-N 2 0 298.471 2.140 10 0 CEAERP C[NH+]1CCC(Oc2cccc(Cl)c2C[NH3+])CC1 ZINC000052904984 523782341 /nfs/dbraw/zinc/78/23/41/523782341.db2.gz ITXKZNAFCQYVRR-UHFFFAOYSA-N 2 0 254.761 2.272 10 0 CEAERP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCCCn1ccnc1 ZINC000052206217 523793945 /nfs/dbraw/zinc/79/39/45/523793945.db2.gz BDNWFNDCFCLSMX-OAHLLOKOSA-N 2 0 264.417 2.127 10 0 CEAERP COCC[NH2+]CC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000053660935 523936366 /nfs/dbraw/zinc/93/63/66/523936366.db2.gz IISSYHKBPBZETG-UHFFFAOYSA-N 2 0 276.424 2.443 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000055074152 523958406 /nfs/dbraw/zinc/95/84/06/523958406.db2.gz KALXNKRSWVGFHM-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](c2ccco2)[C@@H](C)[NH3+])CC1 ZINC000055063855 523959518 /nfs/dbraw/zinc/95/95/18/523959518.db2.gz VHWSECPMCIHFFL-GUTXKFCHSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H](C)[NH+]1CCN(c2cc(C)ccc2C(N)=[NH2+])CC1 ZINC000055067191 523960995 /nfs/dbraw/zinc/96/09/95/523960995.db2.gz YZRZLSFAFGAATH-ZDUSSCGKSA-N 2 0 274.412 2.200 10 0 CEAERP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O)c(Br)c2)C1 ZINC000062702698 523980985 /nfs/dbraw/zinc/98/09/85/523980985.db2.gz YCWSGZKBXYQGLA-LLVKDONJSA-N 2 0 299.212 2.196 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[NH+]([C@@H](C)CC)CC2)o1 ZINC000055064341 524028340 /nfs/dbraw/zinc/02/83/40/524028340.db2.gz YFAGYFKYJUKQLV-DZGCQCFKSA-N 2 0 279.428 2.258 10 0 CEAERP C[NH+](C)C1CCN(c2cccc(Cl)c2C(N)=[NH2+])CC1 ZINC000052905100 524040880 /nfs/dbraw/zinc/04/08/80/524040880.db2.gz ZEUZUWWHYGCBLJ-UHFFFAOYSA-N 2 0 280.803 2.154 10 0 CEAERP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C[NH3+])[C@@H]1C ZINC000050563662 524221280 /nfs/dbraw/zinc/22/12/80/524221280.db2.gz NCJWIJNWEOKUJP-CHWSQXEVSA-N 2 0 275.396 2.204 10 0 CEAERP Cc1cc(C)c(C(N)=S)c(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000049560171 524247614 /nfs/dbraw/zinc/24/76/14/524247614.db2.gz MVWKHSVVNCOLBD-JTQLQIEISA-N 2 0 280.441 2.085 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068629668 525647322 /nfs/dbraw/zinc/64/73/22/525647322.db2.gz JCWDEBODAJDHOH-HZMVEIRTSA-N 2 0 279.472 2.310 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061641912 525979017 /nfs/dbraw/zinc/97/90/17/525979017.db2.gz KZQZKWCBCAFNKA-OIISXLGYSA-N 2 0 275.440 2.409 10 0 CEAERP c1ccc(N2CC[NH+](CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000052764218 526481972 /nfs/dbraw/zinc/48/19/72/526481972.db2.gz KTPTUAGTHLGYFP-MRXNPFEDSA-N 2 0 273.424 2.341 10 0 CEAERP NC(=[NH2+])CC[N@H+](CCCOc1ccccc1)C1CC1 ZINC000061815886 526816154 /nfs/dbraw/zinc/81/61/54/526816154.db2.gz CZFWVWKRJJNAHX-UHFFFAOYSA-N 2 0 261.369 2.246 10 0 CEAERP NC(=[NH2+])c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068761831 526819281 /nfs/dbraw/zinc/81/92/81/526819281.db2.gz RCEOAKIBTLBONF-HNNXBMFYSA-N 2 0 280.375 2.355 10 0 CEAERP NC(=[NH2+])c1ccc(Cl)cc1OCC[NH+]1CCCC1 ZINC000062789175 526822865 /nfs/dbraw/zinc/82/28/65/526822865.db2.gz CSJVKEGLUVLZJI-UHFFFAOYSA-N 2 0 267.760 2.099 10 0 CEAERP [NH3+]C1CCC([NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000055144419 527140810 /nfs/dbraw/zinc/14/08/10/527140810.db2.gz OVKMMMVGDNSPNL-UHFFFAOYSA-N 2 0 277.387 2.218 10 0 CEAERP [NH3+]C[C@@H]1CCCCC[C@@H]1[N@@H+]1CCC[C@@H]1CCCO ZINC000052758172 527207733 /nfs/dbraw/zinc/20/77/33/527207733.db2.gz KKXNLLPZCNZCDX-ZNMIVQPWSA-N 2 0 254.418 2.131 10 0 CEAERP [NH3+]Cc1ncccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000061656600 527265070 /nfs/dbraw/zinc/26/50/70/527265070.db2.gz IBJRCDIMFDTGOZ-INIZCTEOSA-N 2 0 268.364 2.272 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2cccc(F)c2C[NH3+])CC1 ZINC000093395430 535566289 /nfs/dbraw/zinc/56/62/89/535566289.db2.gz PPRKOJCIEQQMPA-GFCCVEGCSA-N 2 0 265.376 2.205 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc4ccccc43)C[C@H]12 ZINC000312652283 628360814 /nfs/dbraw/zinc/36/08/14/628360814.db2.gz FXGZAMIRLUZIPB-XOKHGSTOSA-N 2 0 267.376 2.404 10 0 CEAERP CC1(C)CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000398953704 628766557 /nfs/dbraw/zinc/76/65/57/628766557.db2.gz AQZFYFHFPNKUHV-CQSZACIVSA-N 2 0 254.418 2.002 10 0 CEAERP CCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)o1 ZINC000121114573 365524952 /nfs/dbraw/zinc/52/49/52/365524952.db2.gz FNXCJRVLJRHQLI-CQSZACIVSA-N 2 0 294.439 2.367 10 0 CEAERP CC(C)CC[N@H+](CCCC[C@@](C)([NH3+])CO)C1CC1 ZINC000096837015 185116796 /nfs/dbraw/zinc/11/67/96/185116796.db2.gz RAEXPTXXODPXLC-OAHLLOKOSA-N 2 0 256.434 2.377 10 0 CEAERP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCC(C[NH3+])CC3)CC[C@H]21 ZINC000097031417 185154418 /nfs/dbraw/zinc/15/44/18/185154418.db2.gz FHVSQCPIAUFTPS-BHUNQDJPSA-N 3 0 279.472 2.168 10 0 CEAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cncnc3)C2)[nH+]1 ZINC000128268166 539253115 /nfs/dbraw/zinc/25/31/15/539253115.db2.gz LWWRIJGWVVOXJM-CQSZACIVSA-N 2 0 283.379 2.114 10 0 CEAERP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000262671072 344655550 /nfs/dbraw/zinc/65/55/50/344655550.db2.gz OBCZRPVQTLOVCS-HRCADAONSA-N 2 0 295.471 2.131 10 0 CEAERP C[NH2+][C@](C)(CO)C[C@H](C)[NH+]1CCC(C(C)(C)C)CC1 ZINC000085210986 178973104 /nfs/dbraw/zinc/97/31/04/178973104.db2.gz YBMQPBSYQLCDLZ-BBRMVZONSA-N 2 0 270.461 2.494 10 0 CEAERP CC(C)(C)[C@@H]1CCC[N@H+](C[C@@](O)(C[NH3+])C2CC2)CC1 ZINC000085301821 179010004 /nfs/dbraw/zinc/01/00/04/179010004.db2.gz MHIVMMBNZBKVID-CJNGLKHVSA-N 2 0 268.445 2.234 10 0 CEAERP CCC1(C)CC[NH+](CCCC[C@@](C)(O)C[NH3+])CC1 ZINC000085302899 179011545 /nfs/dbraw/zinc/01/15/45/179011545.db2.gz CLOPJIWHKQXVBH-OAHLLOKOSA-N 2 0 256.434 2.379 10 0 CEAERP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000085369448 179039001 /nfs/dbraw/zinc/03/90/01/179039001.db2.gz AZQYAJYRMVOQKT-CVEARBPZSA-N 2 0 295.471 2.083 10 0 CEAERP CN(C)C(=O)CCC[N@@H+]1CCCCC[C@H]1C1CC[NH2+]CC1 ZINC000085403645 179053143 /nfs/dbraw/zinc/05/31/43/179053143.db2.gz BVTUZXWWIJJBMA-INIZCTEOSA-N 2 0 295.471 2.099 10 0 CEAERP C[C@H](Cn1c2c(nc1C1CC1)C[NH2+]CC2)C[NH+]1CCCC1 ZINC000085572209 179097566 /nfs/dbraw/zinc/09/75/66/179097566.db2.gz ZLYZOOQHNYWNNP-ZDUSSCGKSA-N 2 0 288.439 2.138 10 0 CEAERP CC(C)Cc1nc2c(n1CC[N@H+](C)C(C)C)CC[NH2+]C2 ZINC000085570920 179096093 /nfs/dbraw/zinc/09/60/93/179096093.db2.gz AZUOXLPSNADLOI-UHFFFAOYSA-N 2 0 278.444 2.068 10 0 CEAERP C[C@H](C[NH+]1CCCC1)n1c2c(nc1C1CC1)C[NH2+]CC2 ZINC000085573505 179099191 /nfs/dbraw/zinc/09/91/91/179099191.db2.gz POIRSJRFRSJQBG-GFCCVEGCSA-N 2 0 274.412 2.063 10 0 CEAERP C1CC1c1nc2c(n1[C@H]1CC[N@@H+]3CCCC[C@@H]13)CC[NH2+]C2 ZINC000085573581 179099564 /nfs/dbraw/zinc/09/95/64/179099564.db2.gz NOQUFHGGLAFUCN-HOTGVXAUSA-N 2 0 286.423 2.206 10 0 CEAERP C[C@H](Cn1c2c(nc1C1CCCC1)C[NH2+]CC2)[NH+](C)C ZINC000085607078 179100112 /nfs/dbraw/zinc/10/01/12/179100112.db2.gz NQSXXQVXFJDBLS-GFCCVEGCSA-N 2 0 276.428 2.137 10 0 CEAERP C[N@@H+]1CC[C@@H](n2c3c(nc2-c2ccccc2)C[NH2+]CC3)C1 ZINC000085607112 179101097 /nfs/dbraw/zinc/10/10/97/179101097.db2.gz FVSAYOFXVOULEV-CQSZACIVSA-N 2 0 282.391 2.072 10 0 CEAERP CC(C)(C)[C@@H]1C[N@H+](C[C@@H]2CCCCO2)CCC[NH2+]1 ZINC000085613834 179103535 /nfs/dbraw/zinc/10/35/35/179103535.db2.gz YUIFZVMNAVFERM-KBPBESRZSA-N 2 0 254.418 2.266 10 0 CEAERP C[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C[N@@H+]1C[C@@H]1CCCO1 ZINC000085618881 179104721 /nfs/dbraw/zinc/10/47/21/179104721.db2.gz APFZFYCHXYRLII-NJAFHUGGSA-N 2 0 288.435 2.461 10 0 CEAERP C[C@@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CCCn1ccnc1 ZINC000085623130 179105086 /nfs/dbraw/zinc/10/50/86/179105086.db2.gz BHIYBFRBLOVXLM-OAHLLOKOSA-N 2 0 276.428 2.270 10 0 CEAERP CCO[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)C2)C12CCCC2 ZINC000085679937 179113486 /nfs/dbraw/zinc/11/34/86/179113486.db2.gz IHHQJRGRZPFNTB-KKUMJFAQSA-N 2 0 266.429 2.266 10 0 CEAERP CC[C@H](C)[C@@H]1CN(CCC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086153927 179240415 /nfs/dbraw/zinc/24/04/15/179240415.db2.gz WINFANTXQXDRRX-KKUMJFAQSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@@H]1C[NH2+]C2(CCCCC2)CN1[C@@H]1C[NH+]2CCC1CC2 ZINC000086182572 179247920 /nfs/dbraw/zinc/24/79/20/179247920.db2.gz FMISZQHYWKHTHV-GDBMZVCRSA-N 2 0 277.456 2.077 10 0 CEAERP CC(C)C[C@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217870 179249259 /nfs/dbraw/zinc/24/92/59/179249259.db2.gz MYKYCRSGGRAXPF-RDJZCZTQSA-N 2 0 281.488 2.425 10 0 CEAERP CCC[C@H]1CN(C2CC[NH+](C)CC2)[C@H](C(C)C)C[NH2+]1 ZINC000086217878 179250043 /nfs/dbraw/zinc/25/00/43/179250043.db2.gz VKJAWRTXYBKNQU-HOCLYGCPSA-N 2 0 267.461 2.179 10 0 CEAERP CC[N@@H+]1CC[C@@H](CN2CC3(CCCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086223021 179250761 /nfs/dbraw/zinc/25/07/61/179250761.db2.gz JQOGUJIEFHSRGY-JKSUJKDBSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)[C@H]1CN[C@@](C)(C2CC2)C[N@@H+]1CCCC[NH+](C)C ZINC000086261042 179259748 /nfs/dbraw/zinc/25/97/48/179259748.db2.gz FVQFTRMBCBGDCN-IAGOWNOFSA-N 2 0 281.488 2.427 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2CC3(CCCC3)[NH2+]C[C@@H]2C)C1 ZINC000086260760 179260422 /nfs/dbraw/zinc/26/04/22/179260422.db2.gz RNVFNKDTKKVJSD-JKSUJKDBSA-N 2 0 279.472 2.323 10 0 CEAERP CCC[C@H]1CN(C2CC[NH+](CCC)CC2)CCC[NH2+]1 ZINC000086290258 179265147 /nfs/dbraw/zinc/26/51/47/179265147.db2.gz SCJUQDPNXPPULX-HNNXBMFYSA-N 2 0 267.461 2.325 10 0 CEAERP Fc1ccc(CC[N@@H+]2CCC[NH2+][C@@H](C3CC3)C2)cc1 ZINC000086285663 179263634 /nfs/dbraw/zinc/26/36/34/179263634.db2.gz VFJVQUJCXQQTGY-MRXNPFEDSA-N 2 0 262.372 2.442 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCC[NH2+]C3(CCCC3)C2)C1 ZINC000086289423 179264071 /nfs/dbraw/zinc/26/40/71/179264071.db2.gz UDQVSOHCKHEPTN-HNNXBMFYSA-N 2 0 265.445 2.079 10 0 CEAERP CC[C@@H](C)[C@H]1C[N@@H+]([C@@H](C)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000086287086 179264686 /nfs/dbraw/zinc/26/46/86/179264686.db2.gz GFMRCZKLCPPUPS-BARDWOONSA-N 2 0 254.418 2.264 10 0 CEAERP CC(C)C[C@@H]1CN([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000086290463 179265319 /nfs/dbraw/zinc/26/53/19/179265319.db2.gz ZBUYEWVCXNMUCZ-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH+]1CCC(N2CCC[NH2+][C@@](C)(CC)C2)CC1 ZINC000086290261 179265323 /nfs/dbraw/zinc/26/53/23/179265323.db2.gz JUWANQHCOVJXJI-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[C@@H]1C[N@H+](CC2CC[NH+](C)CC2)CCCN1 ZINC000086291434 179265611 /nfs/dbraw/zinc/26/56/11/179265611.db2.gz QSLSKMQMGJRCST-ZBFHGGJFSA-N 2 0 267.461 2.038 10 0 CEAERP CN(c1nc2c(s1)CCC[C@@H]2[NH3+])C1CC[NH+](C)CC1 ZINC000086442031 179293658 /nfs/dbraw/zinc/29/36/58/179293658.db2.gz HNFSYUNXCABTPS-NSHDSACASA-N 2 0 280.441 2.010 10 0 CEAERP C[C@@H]1CCC[C@@]1(C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000086677249 179319316 /nfs/dbraw/zinc/31/93/16/179319316.db2.gz MGSMZZWJPMAENC-PMPSAXMXSA-N 2 0 265.445 2.064 10 0 CEAERP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2n2ccnc2)CC1 ZINC000086818323 179347566 /nfs/dbraw/zinc/34/75/66/179347566.db2.gz RTMNQPFZSYLFGS-ZNMIVQPWSA-N 2 0 262.401 2.051 10 0 CEAERP CN(C1CCCCCC1)[C@@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819327 179348261 /nfs/dbraw/zinc/34/82/61/179348261.db2.gz YNMVGXYRNAXJRH-INIZCTEOSA-N 2 0 267.461 2.454 10 0 CEAERP CN(C)[C@@H](C[NH2+][C@H]1CCC[N@H+](C)CC1)c1cccs1 ZINC000086817385 179345360 /nfs/dbraw/zinc/34/53/60/179345360.db2.gz BHEMYTGDGHUXKT-KBPBESRZSA-N 2 0 281.469 2.425 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)N[C@H]1CCC[N@H+](C)CC1 ZINC000086818582 179346613 /nfs/dbraw/zinc/34/66/13/179346613.db2.gz RPMMBQBEYBWYOU-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)Cc2csc(C)n2)CC1 ZINC000086848243 179356588 /nfs/dbraw/zinc/35/65/88/179356588.db2.gz CXZYPABYSGYUAA-HNNXBMFYSA-N 2 0 296.484 2.087 10 0 CEAERP CCC[N@@H+]1CCC[C@](C[NH3+])(N(CCOC)CC(C)C)CC1 ZINC000086848019 179357176 /nfs/dbraw/zinc/35/71/76/179357176.db2.gz VBMSAQJZIKKCBZ-KRWDZBQOSA-N 2 0 299.503 2.184 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NCC(C)(C)C[NH+](C)C)CC1 ZINC000086835005 179350629 /nfs/dbraw/zinc/35/06/29/179350629.db2.gz BFADYARUCRNRHQ-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836671 179351399 /nfs/dbraw/zinc/35/13/99/179351399.db2.gz XABTUBLZJFHFFU-CABCVRRESA-N 2 0 255.450 2.037 10 0 CEAERP CCC[N@@H+]1CCC[C@H](NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000086836672 179351691 /nfs/dbraw/zinc/35/16/91/179351691.db2.gz FATGXWIQBZKBDJ-HOTGVXAUSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)C[C@H]([NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1)C(=O)N(C)C ZINC000086837767 179351976 /nfs/dbraw/zinc/35/19/76/179351976.db2.gz MPONQWBDSBPATF-CVEARBPZSA-N 2 0 297.487 2.342 10 0 CEAERP CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000086842532 179353670 /nfs/dbraw/zinc/35/36/70/179353670.db2.gz GLEGWFGFMJWOFT-CABCVRRESA-N 2 0 256.434 2.246 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NCC[NH+]2CCC(C)CC2)CC1 ZINC000086842522 179353912 /nfs/dbraw/zinc/35/39/12/179353912.db2.gz QABBOALESSKJIV-MRXNPFEDSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@H](NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000086844690 179355266 /nfs/dbraw/zinc/35/52/66/179355266.db2.gz SKUMMVPFMIBJGZ-HZPDHXFCSA-N 2 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(N(C)C2CCCC2)CC1 ZINC000086846740 179355513 /nfs/dbraw/zinc/35/55/13/179355513.db2.gz VPDLNVCQAIBOER-HNNXBMFYSA-N 2 0 253.434 2.064 10 0 CEAERP CC(C)[N@@H+]1CCC[C@@](C[NH3+])(N2CCCC[C@@H]2C)CC1 ZINC000086846179 179355586 /nfs/dbraw/zinc/35/55/86/179355586.db2.gz QDFFOOXQJKDSGH-JKSUJKDBSA-N 2 0 267.461 2.453 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2nc(C)cs2)CC1 ZINC000086844764 179355642 /nfs/dbraw/zinc/35/56/42/179355642.db2.gz WSVWOTOZQVPJKD-CYBMUJFWSA-N 2 0 267.442 2.458 10 0 CEAERP CN(CC[NH+](C)C)[C@@]1(C[NH3+])CCCC(C)(C)CC1 ZINC000086913674 179367080 /nfs/dbraw/zinc/36/70/80/179367080.db2.gz SCIRPOOZIZOKHS-HNNXBMFYSA-N 2 0 255.450 2.168 10 0 CEAERP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H](C)C2)CC1 ZINC000087049077 179388658 /nfs/dbraw/zinc/38/86/58/179388658.db2.gz WQXKYAXJADQNTK-GOEBONIOSA-N 2 0 268.445 2.390 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1(O)CCCC1 ZINC000087459824 179428942 /nfs/dbraw/zinc/42/89/42/179428942.db2.gz ZCALINYWRNSQKE-CQSZACIVSA-N 2 0 256.434 2.392 10 0 CEAERP CCC[NH+]1CCC(NC(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087699144 179472982 /nfs/dbraw/zinc/47/29/82/179472982.db2.gz RPNJTNYMIGFCRD-UONOGXRCSA-N 2 0 283.460 2.131 10 0 CEAERP [NH3+]C[C@]1([NH2+]C[C@@H]2CCCO2)CCC[C@H](C2CC2)C1 ZINC000087928776 179525167 /nfs/dbraw/zinc/52/51/67/179525167.db2.gz SBDDFWMFBVMNKR-KKUMJFAQSA-N 2 0 252.402 2.053 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000088290932 179575867 /nfs/dbraw/zinc/57/58/67/179575867.db2.gz UUONSIAQJFTUCL-CVEARBPZSA-N 2 0 267.461 2.168 10 0 CEAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-n1cccn1 ZINC000089145480 179722116 /nfs/dbraw/zinc/72/21/16/179722116.db2.gz MMUUYBHLSFJFSR-GDBMZVCRSA-N 2 0 284.407 2.479 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400445064 233177690 /nfs/dbraw/zinc/17/76/90/233177690.db2.gz NLQPORCVRUGIAN-IJEWVQPXSA-N 2 0 262.397 2.179 10 0 CEAERP C[C@H](N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400414585 233178203 /nfs/dbraw/zinc/17/82/03/233178203.db2.gz VADMUNJMIUQYEA-CWLKWCNXSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)COCc1ccccc1 ZINC000400563634 233178855 /nfs/dbraw/zinc/17/88/55/233178855.db2.gz IKFLCBGTMMYVCS-VYDXJSESSA-N 2 0 276.424 2.427 10 0 CEAERP C[C@@H]1CCC[C@H]([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000089609724 179828978 /nfs/dbraw/zinc/82/89/78/179828978.db2.gz WKSHGXGRDHFXNN-LTIDMASMSA-N 2 0 279.472 2.310 10 0 CEAERP CCC[NH2+]Cc1cncn1CC1CC[NH+](CC)CC1 ZINC000090241729 179938982 /nfs/dbraw/zinc/93/89/82/179938982.db2.gz SIFDLKJYFOUMDH-UHFFFAOYSA-N 2 0 264.417 2.115 10 0 CEAERP C[C@@]1(C[NH+]2CCC(Cc3ccccc3)CC2)COC[C@@H]1[NH3+] ZINC000090606525 180011130 /nfs/dbraw/zinc/01/11/30/180011130.db2.gz BQCNMDZPIYTUQU-ZWKOTPCHSA-N 2 0 288.435 2.305 10 0 CEAERP FC(F)(F)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000090693760 180026321 /nfs/dbraw/zinc/02/63/21/180026321.db2.gz DYULCKHSYRCGHF-GHMZBOCLSA-N 2 0 250.308 2.403 10 0 CEAERP CC[C@H]1CCC[N@H+](Cc2csc(CC[NH3+])n2)C1 ZINC000090958054 180075089 /nfs/dbraw/zinc/07/50/89/180075089.db2.gz DPKQGSQEPRBVHO-NSHDSACASA-N 2 0 253.415 2.266 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2sccc2N)C1 ZINC000090960382 180075613 /nfs/dbraw/zinc/07/56/13/180075613.db2.gz AXBZZJDWWLNVRB-NSHDSACASA-N 2 0 253.415 2.150 10 0 CEAERP C[C@H](c1cccs1)[N@H+](C)CC[C@@H]1C[NH2+]CCO1 ZINC000091313901 180132568 /nfs/dbraw/zinc/13/25/68/180132568.db2.gz OMCJZCBYQFCZQU-VXGBXAGGSA-N 2 0 254.399 2.119 10 0 CEAERP C[N@@H+](CCc1ccccc1)CC[C@H]1CSCC[NH2+]1 ZINC000091292363 180123614 /nfs/dbraw/zinc/12/36/14/180123614.db2.gz NDAKKAVIUWBLFW-HNNXBMFYSA-N 2 0 264.438 2.256 10 0 CEAERP C[NH2+][C@H](CC[N@H+](C)CC1CC(O)C1)c1ccc(C)cc1 ZINC000091499470 180173910 /nfs/dbraw/zinc/17/39/10/180173910.db2.gz UEDKVJBGJNDWKY-BDVYOWHSSA-N 2 0 276.424 2.348 10 0 CEAERP C[C@H](c1ccccc1)[C@H](C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091393063 180145394 /nfs/dbraw/zinc/14/53/94/180145394.db2.gz VYFMAXIHTDUEEZ-PVAVHDDUSA-N 2 0 275.440 2.143 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N1CCC[C@H]([NH+](C)C)C1 ZINC000091394918 180146097 /nfs/dbraw/zinc/14/60/97/180146097.db2.gz OVEWRNCIUVXZDL-LSDHHAIUSA-N 2 0 255.450 2.166 10 0 CEAERP COc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000091394384 180146311 /nfs/dbraw/zinc/14/63/11/180146311.db2.gz GJPSBFRSWFHYSK-QRTARXTBSA-N 2 0 291.439 2.110 10 0 CEAERP CC(C)C[C@H](C[NH3+])CC[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000091395605 180146412 /nfs/dbraw/zinc/14/64/12/180146412.db2.gz NKSNVKXYKZVQKL-CABCVRRESA-N 2 0 255.450 2.024 10 0 CEAERP CCCC[N@H+](CCO)CC(C)(C)[C@@H](C)[NH2+]CCC ZINC000091403457 180147077 /nfs/dbraw/zinc/14/70/77/180147077.db2.gz HPSRUIYQRICVLE-CQSZACIVSA-N 2 0 258.450 2.495 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)C[N@H+](C)CC1CC(O)C1 ZINC000091405569 180147155 /nfs/dbraw/zinc/14/71/55/180147155.db2.gz HNNPGDFRHLAWII-IYXRBSQSSA-N 2 0 256.434 2.103 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CCC[C@@H]1C[NH+](C)C ZINC000091404690 180147167 /nfs/dbraw/zinc/14/71/67/180147167.db2.gz BUSQSUIKJSPSEG-UONOGXRCSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN(C)CC[NH+]1CCCC1 ZINC000091405034 180147615 /nfs/dbraw/zinc/14/76/15/180147615.db2.gz QAYDKWSAGYIVOU-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1cncc(N(CC[NH+](C)C)CC(C)C)n1 ZINC000091419799 180150722 /nfs/dbraw/zinc/15/07/22/180150722.db2.gz KCBJISKDSFXFSP-UHFFFAOYSA-N 2 0 293.459 2.000 10 0 CEAERP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000624122337 350200045 /nfs/dbraw/zinc/20/00/45/350200045.db2.gz ONUQCDANPQBGFG-TUVASFSCSA-N 2 0 266.429 2.121 10 0 CEAERP CC[NH2+]CC(CC)(CC)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000091427224 180151846 /nfs/dbraw/zinc/15/18/46/180151846.db2.gz NMXKRZIGGHAOLG-OAHLLOKOSA-N 2 0 269.477 2.428 10 0 CEAERP C[C@@H](C[NH2+]Cc1cccs1)N1CCC[C@H]([NH+](C)C)C1 ZINC000091427411 180151864 /nfs/dbraw/zinc/15/18/64/180151864.db2.gz VVPGEYNFAIDJDE-KBPBESRZSA-N 2 0 281.469 2.252 10 0 CEAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000091542337 180184432 /nfs/dbraw/zinc/18/44/32/180184432.db2.gz FRGZZLIOAJEFFD-HOTGVXAUSA-N 2 0 295.471 2.084 10 0 CEAERP C[NH2+][C@@H](CC[C@H]1CCCO1)C1([NH+](C)C)CCCC1 ZINC000091637657 180212348 /nfs/dbraw/zinc/21/23/48/180212348.db2.gz UVPMWZLEDWHDOQ-KGLIPLIRSA-N 2 0 254.418 2.408 10 0 CEAERP Cc1cc(C)c(C[C@H]([NH3+])[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(C)c1 ZINC000091720569 180236519 /nfs/dbraw/zinc/23/65/19/180236519.db2.gz CUOIDXFBKBRMEI-NJAFHUGGSA-N 2 0 288.435 2.345 10 0 CEAERP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091847943 180270943 /nfs/dbraw/zinc/27/09/43/180270943.db2.gz JFDNHORTZOVSRG-DNOWBOINSA-N 2 0 275.396 2.215 10 0 CEAERP CC[N@H+](CC(=O)N1CCCCCCC1)C1CCC([NH3+])CC1 ZINC000091850769 180271697 /nfs/dbraw/zinc/27/16/97/180271697.db2.gz KNSPVGLYYHJIFG-UHFFFAOYSA-N 2 0 295.471 2.371 10 0 CEAERP CC[N@H+](CC(=O)N(C)c1ccccc1)C1CCC([NH3+])CC1 ZINC000091850954 180271805 /nfs/dbraw/zinc/27/18/05/180271805.db2.gz XXRSXDFFJDRKPT-UHFFFAOYSA-N 2 0 289.423 2.241 10 0 CEAERP CC[N@H+](Cc1nnc(C(C)(C)C)o1)C1CCC([NH3+])CC1 ZINC000091851072 180272158 /nfs/dbraw/zinc/27/21/58/180272158.db2.gz OAXVQVGGOCVUON-UHFFFAOYSA-N 2 0 280.416 2.459 10 0 CEAERP CC[NH2+]C1CCC([N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000091870440 180276979 /nfs/dbraw/zinc/27/69/79/180276979.db2.gz IMYSCJBPDSXWJG-HSBZDZAISA-N 2 0 283.460 2.142 10 0 CEAERP CCC[C@H](C)NC(=O)C[N@H+](C)C1CCC([NH2+]CC)CC1 ZINC000091870374 180277203 /nfs/dbraw/zinc/27/72/03/180277203.db2.gz QLFBXZAOBBUANX-NFOMZHRRSA-N 2 0 283.460 2.144 10 0 CEAERP CCC[NH2+]C1CCC([N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000091870028 180277564 /nfs/dbraw/zinc/27/75/64/180277564.db2.gz IOKYXXHRQIWJPW-NRXISQOPSA-N 2 0 254.418 2.408 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)Cc2nccn2C(F)F)CC1 ZINC000091872711 180278005 /nfs/dbraw/zinc/27/80/05/180278005.db2.gz AKZCHRROGYUTHA-UHFFFAOYSA-N 2 0 272.343 2.241 10 0 CEAERP CC(C)[NH+]1CCC(O)([C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000091906428 180284397 /nfs/dbraw/zinc/28/43/97/180284397.db2.gz HVPIYFKGWLSNEH-GJZGRUSLSA-N 2 0 268.445 2.377 10 0 CEAERP C[NH2+]CC[C@H]1CCCC[N@@H+]1Cc1nc(C)ccc1O ZINC000091996172 180302079 /nfs/dbraw/zinc/30/20/79/180302079.db2.gz KKLJZNKLHYICGB-CYBMUJFWSA-N 2 0 263.385 2.060 10 0 CEAERP CCC[NH2+]Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003300 180304405 /nfs/dbraw/zinc/30/44/05/180304405.db2.gz CCNMAEPMPVTIDT-CVEARBPZSA-N 2 0 288.439 2.254 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](C[N@@H+]2C[C@H](C)[C@H](C)C2)O1 ZINC000092089409 180321378 /nfs/dbraw/zinc/32/13/78/180321378.db2.gz MSWOFCGFFQGESM-LJISPDSOSA-N 2 0 254.418 2.121 10 0 CEAERP NC(=[NH2+])C1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092262365 180354929 /nfs/dbraw/zinc/35/49/29/180354929.db2.gz OMYGABWWZLVXBM-CYBMUJFWSA-N 2 0 275.421 2.351 10 0 CEAERP C[NH2+][C@@H](C)C1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092298048 180358764 /nfs/dbraw/zinc/35/87/64/180358764.db2.gz IRDCQBUUZHVHLU-ZFWWWQNUSA-N 2 0 274.408 2.483 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(F)cc1C[NH3+] ZINC000092623879 180416746 /nfs/dbraw/zinc/41/67/46/180416746.db2.gz HATQEXMXLQTOPZ-MRXNPFEDSA-N 2 0 279.403 2.201 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000092627469 180419665 /nfs/dbraw/zinc/41/96/65/180419665.db2.gz BUVTZUMAVGFZSE-OWCLPIDISA-N 2 0 267.461 2.453 10 0 CEAERP C[NH2+]C1(CCN(C)C[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000092633239 180423192 /nfs/dbraw/zinc/42/31/92/180423192.db2.gz ZOZOTMWUXHNFDW-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH2+][C@H](Cc1nc(CC[NH+](CC)CC)no1)C(C)C ZINC000109496204 186256310 /nfs/dbraw/zinc/25/63/10/186256310.db2.gz KMKQMWMXKMBERV-CYBMUJFWSA-N 2 0 282.432 2.131 10 0 CEAERP CCC[NH2+][C@H](C)CCc1nc(CC[NH+](CC)CC)no1 ZINC000109496267 186256893 /nfs/dbraw/zinc/25/68/93/186256893.db2.gz CJGCXWRDQCZZNK-CYBMUJFWSA-N 2 0 282.432 2.275 10 0 CEAERP CCCc1nc(N2CC[C@H]([NH+]3CCCC3)C2)sc1C[NH3+] ZINC000110275583 186289723 /nfs/dbraw/zinc/28/97/23/186289723.db2.gz FWLWIAWZRSLYHQ-LBPRGKRZSA-N 2 0 294.468 2.229 10 0 CEAERP C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000110551148 186302987 /nfs/dbraw/zinc/30/29/87/186302987.db2.gz IYZFYEHAFCSLQA-KGLIPLIRSA-N 2 0 299.459 2.351 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C[NH3+])c2ccc(C)c(F)c2)C[C@@H]1C ZINC000110977977 186339269 /nfs/dbraw/zinc/33/92/69/186339269.db2.gz MLTWVRPDBIJUNS-BBRMVZONSA-N 2 0 279.403 2.160 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110704888 186314204 /nfs/dbraw/zinc/31/42/04/186314204.db2.gz HEQGVQNTZNOXFU-UKRRQHHQSA-N 2 0 261.413 2.101 10 0 CEAERP CCCCCC[C@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110712112 186315588 /nfs/dbraw/zinc/31/55/88/186315588.db2.gz ZQAGQVNBOOLQBW-CQSZACIVSA-N 2 0 255.450 2.310 10 0 CEAERP C[C@@H](c1ccccc1)[C@@H](C[NH3+])N1CC[N@H+](C)C(C)(C)C1 ZINC000110711742 186316650 /nfs/dbraw/zinc/31/66/50/186316650.db2.gz NSPSFPRERFUEAK-GOEBONIOSA-N 2 0 275.440 2.143 10 0 CEAERP COc1ccc([C@H]([NH3+])[C@H](C)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110716422 186316676 /nfs/dbraw/zinc/31/66/76/186316676.db2.gz PYIZHRHZGNQCAF-XJKSGUPXSA-N 2 0 291.439 2.110 10 0 CEAERP CC[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C ZINC000110741934 186319182 /nfs/dbraw/zinc/31/91/82/186319182.db2.gz XKEKXHBWXXRLOS-CVEARBPZSA-N 2 0 289.423 2.019 10 0 CEAERP CC[C@H]1CN(CC2(C[NH2+]C3CC3)CCCC2)CC[N@@H+]1C ZINC000110746386 186319530 /nfs/dbraw/zinc/31/95/30/186319530.db2.gz ZKHZMXXTDCTQHA-INIZCTEOSA-N 2 0 279.472 2.325 10 0 CEAERP CC(C)C[NH2+]CCC[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754731 186321087 /nfs/dbraw/zinc/32/10/87/186321087.db2.gz XMICHEULSOIYQD-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]1CN(Cc2ccoc2C[NH2+]C(C)C)CC[N@@H+]1C ZINC000110753876 186322174 /nfs/dbraw/zinc/32/21/74/186322174.db2.gz HHGCIECONXGVCY-OAHLLOKOSA-N 2 0 279.428 2.304 10 0 CEAERP CC[N@@H+]1CCN([C@@H](C)C[NH2+]CCC(C)C)C[C@@H]1C ZINC000110756766 186322255 /nfs/dbraw/zinc/32/22/55/186322255.db2.gz LWTNPLUCDYTOTA-GJZGRUSLSA-N 2 0 255.450 2.037 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000110770455 186323701 /nfs/dbraw/zinc/32/37/01/186323701.db2.gz UZKIXDFCQXEFPW-LBPRGKRZSA-N 2 0 290.411 2.264 10 0 CEAERP CCCCC[C@@H](C)[NH2+]CCN(C)CCC[NH+](C)C ZINC000111150974 186361300 /nfs/dbraw/zinc/36/13/00/186361300.db2.gz ATRDTAAJOLLPEK-OAHLLOKOSA-N 2 0 257.466 2.428 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000111157489 186362236 /nfs/dbraw/zinc/36/22/36/186362236.db2.gz KRZBTKLBNJQNDQ-BPLDGKMQSA-N 2 0 254.418 2.108 10 0 CEAERP C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(C)CC[NH+](C)C ZINC000111130211 186355904 /nfs/dbraw/zinc/35/59/04/186355904.db2.gz XPBIEAFUARCZPF-FZMZJTMJSA-N 2 0 269.820 2.222 10 0 CEAERP CN(CCC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000111131594 186355984 /nfs/dbraw/zinc/35/59/84/186355984.db2.gz MZQNQQVZQXEUJF-AWEZNQCLSA-N 2 0 269.820 2.223 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccs1)N(C)CC[NH+](C)C ZINC000111129483 186356582 /nfs/dbraw/zinc/35/65/82/186356582.db2.gz MVRHGQIVDRWRCQ-WCQYABFASA-N 2 0 255.431 2.020 10 0 CEAERP CCc1ccc([C@@H](CN(C)CC[NH+](C)C)[NH2+]C)cc1 ZINC000111134417 186356966 /nfs/dbraw/zinc/35/69/66/186356966.db2.gz HOOLSWMGSOGEBB-MRXNPFEDSA-N 2 0 263.429 2.003 10 0 CEAERP CC[NH2+][C@@H](c1ccccc1)[C@@H](C)N(C)CC[NH+](C)C ZINC000111135469 186356999 /nfs/dbraw/zinc/35/69/99/186356999.db2.gz DLQIBUCPECAJGO-GDBMZVCRSA-N 2 0 263.429 2.219 10 0 CEAERP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1N(C)CC[NH+](C)C ZINC000111135526 186357655 /nfs/dbraw/zinc/35/76/55/186357655.db2.gz YDQHKVYUJZIDGU-IAGOWNOFSA-N 2 0 275.440 2.145 10 0 CEAERP CCC[NH2+][C@H](C)CCCC[N@H+](C)CCC[NH+](C)C ZINC000111135656 186357888 /nfs/dbraw/zinc/35/78/88/186357888.db2.gz WNURLQJTUKBFNE-OAHLLOKOSA-N 3 0 257.466 2.428 10 0 CEAERP CC(C)[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000111144004 186359049 /nfs/dbraw/zinc/35/90/49/186359049.db2.gz WKOXUNIHNCFCPG-RBSFLKMASA-N 2 0 256.434 2.056 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111174820 186364666 /nfs/dbraw/zinc/36/46/66/186364666.db2.gz FZRXDYQDNYCOGY-KGLIPLIRSA-N 2 0 256.434 2.369 10 0 CEAERP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2C)s1 ZINC000111273358 186386080 /nfs/dbraw/zinc/38/60/80/186386080.db2.gz UZRDATSBGDHCBF-YGOYTEALSA-N 2 0 253.415 2.266 10 0 CEAERP CC[NH+]1CCC(N(C)c2ccc(CC[NH3+])cc2)CC1 ZINC000111484810 186422358 /nfs/dbraw/zinc/42/23/58/186422358.db2.gz BRRHZKDNFBYZOZ-UHFFFAOYSA-N 2 0 261.413 2.108 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3ccncc3Br)C[C@H]12 ZINC000629520424 351386645 /nfs/dbraw/zinc/38/66/45/351386645.db2.gz VZQQSDBZQKEJTF-XHVZSJERSA-N 2 0 296.212 2.013 10 0 CEAERP CO[C@H]1C[N@H+](CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359952 351711271 /nfs/dbraw/zinc/71/12/71/351711271.db2.gz NVZOZTPOCDHLIC-HUUCEWRRSA-N 2 0 254.418 2.395 10 0 CEAERP CO[C@@H]1C[N@H+](CCC2CCCCC2)[C@@](C)(C[NH3+])C1 ZINC000630359954 351711718 /nfs/dbraw/zinc/71/17/18/351711718.db2.gz NVZOZTPOCDHLIC-LSDHHAIUSA-N 2 0 254.418 2.395 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576344 363098472 /nfs/dbraw/zinc/09/84/72/363098472.db2.gz KGMNHXMOZSIRGU-JKSUJKDBSA-N 2 0 297.487 2.330 10 0 CEAERP COc1cccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N(C)C)c1 ZINC000133525657 366232771 /nfs/dbraw/zinc/23/27/71/366232771.db2.gz KIJGKXHYORIQLE-WBVHZDCISA-N 2 0 291.439 2.030 10 0 CEAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237076837 370687733 /nfs/dbraw/zinc/68/77/33/370687733.db2.gz HNNQANIFUVCJAR-JSGCOSHPSA-N 2 0 275.396 2.252 10 0 CEAERP [NH3+][C@H]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)CC1 ZINC000100267960 364543648 /nfs/dbraw/zinc/54/36/48/364543648.db2.gz ATWXOLWEEQIFJV-PHIMTYICSA-N 2 0 284.201 2.204 10 0 CEAERP CCCC[NH+]1CCC(NC(=O)[C@H](CCC)[NH+](C)C)CC1 ZINC000162078689 367136181 /nfs/dbraw/zinc/13/61/81/367136181.db2.gz CNHFOERNDFJWIY-HNNXBMFYSA-N 2 0 283.460 2.097 10 0 CEAERP CCC[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[NH+](C)C ZINC000162129445 367139259 /nfs/dbraw/zinc/13/92/59/367139259.db2.gz QNBVXYBKEFJHPK-MRXNPFEDSA-N 2 0 291.439 2.095 10 0 CEAERP CCC[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000161738460 367108861 /nfs/dbraw/zinc/10/88/61/367108861.db2.gz RZZXATWOLXFRFF-GJZGRUSLSA-N 2 0 297.487 2.343 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000245437225 370819912 /nfs/dbraw/zinc/81/99/12/370819912.db2.gz WHZLLCWFNSVMDB-JKSUJKDBSA-N 2 0 295.471 2.194 10 0 CEAERP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000631841914 367582658 /nfs/dbraw/zinc/58/26/58/367582658.db2.gz RQKKXOAHVCSUQG-NWDGAFQWSA-N 2 0 295.814 2.195 10 0 CEAERP Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc(C2CC2)n1 ZINC000172014469 367659032 /nfs/dbraw/zinc/65/90/32/367659032.db2.gz DKEAUHDIQBECNA-CQSZACIVSA-N 2 0 272.396 2.337 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000226591206 370347523 /nfs/dbraw/zinc/34/75/23/370347523.db2.gz HHSQHDALPATEMF-QLFBSQMISA-N 2 0 254.418 2.264 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249570537 371338945 /nfs/dbraw/zinc/33/89/45/371338945.db2.gz OEAPCVKAMAFOJO-XHSDSOJGSA-N 2 0 294.464 2.240 10 0 CEAERP C[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000251799387 371416282 /nfs/dbraw/zinc/41/62/82/371416282.db2.gz NVUZAYKSGKAUQA-MAUKXSAKSA-N 2 0 287.451 2.320 10 0 CEAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261612422 371677446 /nfs/dbraw/zinc/67/74/46/371677446.db2.gz SPQMTWKCVZTQGD-TZMCWYRMSA-N 2 0 253.349 2.423 10 0 CEAERP COCc1cccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261584688 371662611 /nfs/dbraw/zinc/66/26/11/371662611.db2.gz HXTSQLUYRXUONQ-HRCADAONSA-N 2 0 260.381 2.002 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCOc3cccc(Cl)c3)C[C@H]12 ZINC000261658563 371694373 /nfs/dbraw/zinc/69/43/73/371694373.db2.gz YWERCUJDMZJNLB-BYCMXARLSA-N 2 0 280.799 2.388 10 0 CEAERP C[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH3+] ZINC000261925457 371773350 /nfs/dbraw/zinc/77/33/50/371773350.db2.gz CBKAFCSPQMYMTL-DOTOQJQBSA-N 2 0 289.467 2.424 10 0 CEAERP Cc1cnccc1OC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262005190 371797164 /nfs/dbraw/zinc/79/71/64/371797164.db2.gz UNHGUFLPYOPFPL-OAHLLOKOSA-N 2 0 289.423 2.233 10 0 CEAERP C[C@H](N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1C[NH2+]C1 ZINC000643480611 373148516 /nfs/dbraw/zinc/14/85/16/373148516.db2.gz GPQVXKXYHCEWMV-OYSPMZIOSA-N 2 0 299.462 2.095 10 0 CEAERP c1ccc(C[N@H+]2CCCC[C@@H]2CNC2CC[NH2+]CC2)cc1 ZINC000379618823 375154719 /nfs/dbraw/zinc/15/47/19/375154719.db2.gz AQXXASLAFGHKIR-GOSISDBHSA-N 2 0 287.451 2.383 10 0 CEAERP CCN1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C1 ZINC000389156382 375298772 /nfs/dbraw/zinc/29/87/72/375298772.db2.gz KTWGBRVMTCVRAX-RYQLBKOJSA-N 2 0 287.451 2.333 10 0 CEAERP C[C@H]1[C@H](N2CC[C@@H]([NH3+])[C@H](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000307209510 376560904 /nfs/dbraw/zinc/56/09/04/376560904.db2.gz KGLKETYHLXVLFU-CYGHRXIMSA-N 2 0 287.451 2.319 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C)[C@@H](C)C[NH2+]C1CC1 ZINC000093069782 184646040 /nfs/dbraw/zinc/64/60/40/184646040.db2.gz MZRZPIZITWDUBE-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CN(CCC[NH+](C)C)[C@H](C[NH3+])c1cc(Cl)cs1 ZINC000093095909 184649008 /nfs/dbraw/zinc/64/90/08/184649008.db2.gz XBFGOPIEWWDLOM-LLVKDONJSA-N 2 0 275.849 2.285 10 0 CEAERP COc1ccc(C[NH+](C)C)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211926 184656236 /nfs/dbraw/zinc/65/62/36/184656236.db2.gz BWDLVXPGKAODRU-UONOGXRCSA-N 2 0 277.412 2.439 10 0 CEAERP Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCCC[NH2+]2)cn1 ZINC000093494989 184684513 /nfs/dbraw/zinc/68/45/13/184684513.db2.gz IDKYUQLUIYDENZ-OWCLPIDISA-N 2 0 276.428 2.211 10 0 CEAERP Cc1csc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000080311885 177639127 /nfs/dbraw/zinc/63/91/27/177639127.db2.gz DARNCYHOXCNVNF-NEPJUHHUSA-N 2 0 253.415 2.492 10 0 CEAERP CCCC1CC[NH+](CC[C@@H]2CCC[C@]2([NH2+]C)C(N)=O)CC1 ZINC000093592936 184693801 /nfs/dbraw/zinc/69/38/01/184693801.db2.gz NDGWGXUUQCJJRF-DOTOQJQBSA-N 2 0 295.471 2.132 10 0 CEAERP CC(C)[NH2+]C[C@@H](C(C)C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094443468 184801357 /nfs/dbraw/zinc/80/13/57/184801357.db2.gz KMMXDZGUZGGUOS-CVEARBPZSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+][C@@H]1[C@@H](CN2CC[NH+](C(C)C)CC2)CCC1(C)C ZINC000094316573 184779004 /nfs/dbraw/zinc/77/90/04/184779004.db2.gz BGOVSIZJUHZOCL-HZPDHXFCSA-N 2 0 281.488 2.427 10 0 CEAERP CC1(C)OC(C)(C)[C@@H]([NH3+])[C@H]1C[NH+]1CCCCCC1 ZINC000094427462 184796079 /nfs/dbraw/zinc/79/60/79/184796079.db2.gz MSWZHSXMAOSXLF-OLZOCXBDSA-N 2 0 254.418 2.393 10 0 CEAERP Cc1csc(CC[NH2+]C[C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000094755018 184854347 /nfs/dbraw/zinc/85/43/47/184854347.db2.gz HXUCZEZBSAEQFN-STQMWFEESA-N 2 0 267.442 2.491 10 0 CEAERP CC[NH+](CC)CCN[C@H](C[NH3+])c1ccccc1C1CC1 ZINC000094527797 184813806 /nfs/dbraw/zinc/81/38/06/184813806.db2.gz DIJWIIZYLVKMGS-QGZVFWFLSA-N 2 0 275.440 2.495 10 0 CEAERP CCC[C@H](C[NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000087535236 135050098 /nfs/dbraw/zinc/05/00/98/135050098.db2.gz WTUSSZBLCLIJBK-MRXNPFEDSA-N 2 0 275.440 2.492 10 0 CEAERP [NH3+]C[C@@H]1CCC[C@H]1C[NH+]1CCN(c2ccccc2)CC1 ZINC000089482622 135059317 /nfs/dbraw/zinc/05/93/17/135059317.db2.gz MBEDZBDJCJJUSN-HOTGVXAUSA-N 2 0 273.424 2.184 10 0 CEAERP C[C@H]([NH3+])Cc1ccccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091432993 135070000 /nfs/dbraw/zinc/07/00/00/135070000.db2.gz NXGQPAJDUXGYHD-ZFWWWQNUSA-N 2 0 261.413 2.107 10 0 CEAERP [NH3+][C@H]1CCC[C@H]1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000093551573 135081758 /nfs/dbraw/zinc/08/17/58/135081758.db2.gz SUJFKORTSBVGFC-RDJZCZTQSA-N 2 0 273.424 2.326 10 0 CEAERP CC[NH2+]Cc1ccnc(N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1 ZINC000094443269 135088584 /nfs/dbraw/zinc/08/85/84/135088584.db2.gz CDSDCCZCGPVAAF-GOEBONIOSA-N 2 0 288.439 2.254 10 0 CEAERP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)C1 ZINC000263314936 394628210 /nfs/dbraw/zinc/62/82/10/394628210.db2.gz ZIOGZXDSOPPPCL-SRVCANOKSA-N 2 0 288.435 2.129 10 0 CEAERP COc1ccccc1C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833161 394760071 /nfs/dbraw/zinc/76/00/71/394760071.db2.gz RCGRUBJTSAMYDO-SLHHOWHOSA-N 2 0 274.408 2.499 10 0 CEAERP CCC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC000162312729 395073389 /nfs/dbraw/zinc/07/33/89/395073389.db2.gz BSBJZSGRWDWATN-JKSUJKDBSA-N 2 0 295.471 2.051 10 0 CEAERP [NH3+][C@@H]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)C[C@H]12 ZINC000394502014 400549734 /nfs/dbraw/zinc/54/97/34/400549734.db2.gz RCESKRBSDBLXHU-MROQNXINSA-N 2 0 258.356 2.481 10 0 CEAERP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000651199294 401293760 /nfs/dbraw/zinc/29/37/60/401293760.db2.gz XDNJHLRICXBWKY-UONOGXRCSA-N 2 0 256.434 2.248 10 0 CEAERP Cc1ccccc1-c1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000263193494 154032655 /nfs/dbraw/zinc/03/26/55/154032655.db2.gz IDORJEWCIYWQGS-IEBWSBKVSA-N 2 0 296.414 2.332 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N2CC[NH+](CC(C)C)CC2)c1 ZINC000020179467 171044157 /nfs/dbraw/zinc/04/41/57/171044157.db2.gz VKOZWOXMYJTPJA-QGZVFWFLSA-N 2 0 275.440 2.268 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000020179520 171044253 /nfs/dbraw/zinc/04/42/53/171044253.db2.gz LSFNRHVCEUPYJH-INIZCTEOSA-N 2 0 279.403 2.099 10 0 CEAERP Cc1cc(C)c(OC[C@H](CC[NH3+])[NH+](C)C)c(C)c1 ZINC000020401597 171181580 /nfs/dbraw/zinc/18/15/80/171181580.db2.gz FKZJRIKLSXVJJX-AWEZNQCLSA-N 2 0 250.386 2.270 10 0 CEAERP [NH3+]CC[C@H](COc1cccc(F)c1)[NH+]1CCCCC1 ZINC000020402234 171182405 /nfs/dbraw/zinc/18/24/05/171182405.db2.gz NCYHQEPQEPMABT-CQSZACIVSA-N 2 0 266.360 2.408 10 0 CEAERP Cc1ccsc1[C@H](C[NH3+])N(C)C1CC[NH+](C)CC1 ZINC000022176994 171371105 /nfs/dbraw/zinc/37/11/05/171371105.db2.gz GUOJYIJLSOMBRY-ZDUSSCGKSA-N 2 0 267.442 2.082 10 0 CEAERP CCOc1ccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)cc1 ZINC000022218463 171376635 /nfs/dbraw/zinc/37/66/35/171376635.db2.gz NNHUSPUVDMUGTG-QGZVFWFLSA-N 2 0 291.439 2.111 10 0 CEAERP CN([C@@H](C[NH3+])c1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000036906811 172795456 /nfs/dbraw/zinc/79/54/56/172795456.db2.gz IYGDCRXTDVQTTK-NSHDSACASA-N 2 0 287.860 2.427 10 0 CEAERP CCC[NH+]1CCC([C@H](C)[NH2+]CCCC(=O)OC)CC1 ZINC000037415984 173193491 /nfs/dbraw/zinc/19/34/91/173193491.db2.gz JULWRUBEKHXYPX-ZDUSSCGKSA-N 2 0 270.417 2.040 10 0 CEAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CCc1ccccn1 ZINC000037491935 173232817 /nfs/dbraw/zinc/23/28/17/173232817.db2.gz TYGSOUYEPZSKSX-HNNXBMFYSA-N 2 0 261.413 2.478 10 0 CEAERP CCN(Cc1c(C)noc1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747536 174392882 /nfs/dbraw/zinc/39/28/82/174392882.db2.gz AWGKCSKVMAGYEN-PBWFPOADSA-N 2 0 263.385 2.396 10 0 CEAERP C[C@@H](NCC[NH+]1CCCCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000040767732 174398088 /nfs/dbraw/zinc/39/80/88/174398088.db2.gz NRKUNMSHTOQDIK-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP CC(C)[N@H+](CCOc1ccc(C(N)=[NH2+])cc1)CC1CC1 ZINC000042584244 174807337 /nfs/dbraw/zinc/80/73/37/174807337.db2.gz VAPXSBYEXSCHLP-UHFFFAOYSA-N 2 0 275.396 2.470 10 0 CEAERP COCC[N@H+](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)C1CC1 ZINC000042680002 174834565 /nfs/dbraw/zinc/83/45/65/174834565.db2.gz XLVXATAQBSNYPM-LBPRGKRZSA-N 2 0 275.396 2.218 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccco1)N1CC[NH+](C(C)C)CC1 ZINC000043335154 175011104 /nfs/dbraw/zinc/01/11/04/175011104.db2.gz CPBKUEIEVZWIHX-HIFRSBDPSA-N 2 0 265.401 2.084 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccccn1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043340026 175013622 /nfs/dbraw/zinc/01/36/22/175013622.db2.gz UYGQAYURGMTQDQ-HOCLYGCPSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1cccnc1)N1CC[NH+](C(C)(C)C)CC1 ZINC000043347511 175017972 /nfs/dbraw/zinc/01/79/72/175017972.db2.gz CGTXGVFQUKOJMJ-JKSUJKDBSA-N 2 0 290.455 2.276 10 0 CEAERP CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CC[NH+](C)C)CC(C)C ZINC000043348618 175018715 /nfs/dbraw/zinc/01/87/15/175018715.db2.gz JKIAMMUQVODGAQ-SJORKVTESA-N 2 0 292.471 2.380 10 0 CEAERP CC[NH+]1CCN([C@@H]2CCCc3ccccc3[C@H]2[NH2+]C)CC1 ZINC000043805695 175107807 /nfs/dbraw/zinc/10/78/07/175107807.db2.gz UTLOPFXGLXTIKE-QZTJIDSGSA-N 2 0 287.451 2.290 10 0 CEAERP CC[NH2+][C@H]1c2ccccc2C[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815352 175112498 /nfs/dbraw/zinc/11/24/98/175112498.db2.gz ASIDSLZKTLAGCK-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000043818166 175112857 /nfs/dbraw/zinc/11/28/57/175112857.db2.gz ZUNHYLLFXFACMM-DOTOQJQBSA-N 2 0 275.440 2.282 10 0 CEAERP CC[NH2+][C@H](c1ccccc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818306 175112965 /nfs/dbraw/zinc/11/29/65/175112965.db2.gz ZQCAMCNAHSJPHR-WBVHZDCISA-N 2 0 275.440 2.363 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000043818164 175112999 /nfs/dbraw/zinc/11/29/99/175112999.db2.gz ZUNHYLLFXFACMM-WBVHZDCISA-N 2 0 275.440 2.282 10 0 CEAERP C[NH2+][C@H]1c2ccccc2CC[C@H]1N1CCC([NH+](C)C)CC1 ZINC000043897370 175119925 /nfs/dbraw/zinc/11/99/25/175119925.db2.gz AZHTVCHLTZDBCY-MSOLQXFVSA-N 2 0 287.451 2.288 10 0 CEAERP CCC[NH2+][C@H]1CCCC[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000043897212 175120108 /nfs/dbraw/zinc/12/01/08/175120108.db2.gz WYRKVOVEBFGDFA-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C(C)(C)C)CC1 ZINC000043965463 175126689 /nfs/dbraw/zinc/12/66/89/175126689.db2.gz GZMQWUMCLDWLJS-GJZGRUSLSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1N1CC[NH+](CC2CC2)CC1 ZINC000043967919 175129373 /nfs/dbraw/zinc/12/93/73/175129373.db2.gz CSULSQHHWBWVLF-UAGQMJEPSA-N 2 0 279.472 2.181 10 0 CEAERP C[NH2+][C@H](CN1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000043970540 175131590 /nfs/dbraw/zinc/13/15/90/175131590.db2.gz IJMXKGPJHUZLIE-QGZVFWFLSA-N 2 0 275.440 2.221 10 0 CEAERP C[NH2+][C@@H]1CCCCC[C@@H]1N1CCC(C[NH+](C)C)CC1 ZINC000043970566 175131691 /nfs/dbraw/zinc/13/16/91/175131691.db2.gz QQHBXIFCJJANNE-CVEARBPZSA-N 2 0 267.461 2.181 10 0 CEAERP [NH3+][C@H]1CCCc2cc(OCC[NH+]3CCCC3)ccc21 ZINC000044732427 175241076 /nfs/dbraw/zinc/24/10/76/175241076.db2.gz FJISYMFEOPLEGN-INIZCTEOSA-N 2 0 260.381 2.497 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000044806019 175256640 /nfs/dbraw/zinc/25/66/40/175256640.db2.gz JLQIXXRXWKDTDV-AWEZNQCLSA-N 2 0 285.476 2.234 10 0 CEAERP CCCC(C[NH3+])(CCC)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135561 175313629 /nfs/dbraw/zinc/31/36/29/175313629.db2.gz QINXHMZGLLUFKE-HNNXBMFYSA-N 2 0 297.487 2.378 10 0 CEAERP CCC[NH2+][C@](C)(CCCC[N@@H+]1CCC[C@@H]1CC)C(N)=O ZINC000045367419 175362917 /nfs/dbraw/zinc/36/29/17/175362917.db2.gz RKICLWKYRYCKKU-GOEBONIOSA-N 2 0 283.460 2.275 10 0 CEAERP CCOC(=O)[C@@](C)([NH3+])CCC[N@H+](C)C1CCCCC1 ZINC000045379126 175368424 /nfs/dbraw/zinc/36/84/24/175368424.db2.gz MIMOIIRZGVKNEP-HNNXBMFYSA-N 2 0 270.417 2.312 10 0 CEAERP CC[NH2+][C@@](C)(CCCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(N)=O ZINC000045379614 175368553 /nfs/dbraw/zinc/36/85/53/175368553.db2.gz IBLIUIHYCZUBQN-LZWOXQAQSA-N 2 0 283.460 2.273 10 0 CEAERP C[N@H+](CCC[C@@](C)([NH2+]C1CC1)C(N)=O)C1CCCCC1 ZINC000045379175 175368606 /nfs/dbraw/zinc/36/86/06/175368606.db2.gz IJQYQTMOLLSXDM-MRXNPFEDSA-N 2 0 281.444 2.027 10 0 CEAERP CCOC(=O)[C@](C)([NH3+])CCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000045421015 175380315 /nfs/dbraw/zinc/38/03/15/175380315.db2.gz LBIGAEWAWMJUHA-SWLSCSKDSA-N 2 0 272.433 2.414 10 0 CEAERP CCCC[N@H+](CCCC[C@@](C)([NH2+]CC)C(N)=O)C1CC1 ZINC000045421744 175380534 /nfs/dbraw/zinc/38/05/34/175380534.db2.gz NAPYYWPYWAVCJS-MRXNPFEDSA-N 2 0 283.460 2.275 10 0 CEAERP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000665283060 415673669 /nfs/dbraw/zinc/67/36/69/415673669.db2.gz HAXBHGLRRXPVIA-AEGPPILISA-N 2 0 254.418 2.169 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071038105 176026642 /nfs/dbraw/zinc/02/66/42/176026642.db2.gz ATOKZROJTGIASE-HOCLYGCPSA-N 2 0 295.471 2.240 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N2CCC([NH+](C)C)CC2)C1 ZINC000071123439 176035273 /nfs/dbraw/zinc/03/52/73/176035273.db2.gz WRZXMVOWBIGNSF-GOEBONIOSA-N 2 0 267.461 2.310 10 0 CEAERP CC[C@@H]1CCC[C@@H]([NH+]2CCN(C[C@@H](C)C[NH3+])CC2)C1 ZINC000071147445 176043541 /nfs/dbraw/zinc/04/35/41/176043541.db2.gz FTRLHQJFWFTQLU-ARFHVFGLSA-N 2 0 267.461 2.168 10 0 CEAERP Cc1ccccc1[C@@H]([C@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187948 176061958 /nfs/dbraw/zinc/06/19/58/176061958.db2.gz GRDVPNYWUIRVSP-ZMSDIMECSA-N 2 0 275.440 2.267 10 0 CEAERP C[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071188113 176062758 /nfs/dbraw/zinc/06/27/58/176062758.db2.gz XZXUBOSTVLIFFA-XJKCOSOUSA-N 2 0 279.403 2.098 10 0 CEAERP CCC[C@H]1CC[C@@H]([NH3+])[C@H](N(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071188677 176063830 /nfs/dbraw/zinc/06/38/30/176063830.db2.gz HUGUSAZEXXQHID-ZJIFWQFVSA-N 2 0 267.461 2.166 10 0 CEAERP C[C@H]([NH3+])c1cc(F)ccc1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189390 176064341 /nfs/dbraw/zinc/06/43/41/176064341.db2.gz FVCZEYJARCIPLQ-NWDGAFQWSA-N 2 0 265.376 2.233 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@H]1N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071189042 176064432 /nfs/dbraw/zinc/06/44/32/176064432.db2.gz QWZBNEVUBYEZBI-BZUAXINKSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH2+][C@H](CN(C)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC000071189015 176064608 /nfs/dbraw/zinc/06/46/08/176064608.db2.gz PTXCCHVEHBEJFK-HUUCEWRRSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@H](C[NH2+]C(C)(C)C)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191995 176072345 /nfs/dbraw/zinc/07/23/45/176072345.db2.gz ZSAIXEUHQRQULU-ZIAGYGMSSA-N 2 0 255.450 2.037 10 0 CEAERP Cc1oc(CN(C)C[C@H]2CC[N@H+](C)C2)cc1C[NH2+]C(C)C ZINC000071191949 176072476 /nfs/dbraw/zinc/07/24/76/176072476.db2.gz JYJZPPRNPHOENE-HNNXBMFYSA-N 2 0 293.455 2.470 10 0 CEAERP CC[NH2+][C@@H]1CCN(CCC[N@H+](C)Cc2ccccc2)C1 ZINC000071198160 176077226 /nfs/dbraw/zinc/07/72/26/176077226.db2.gz FIJNFAPVUKNDQC-QGZVFWFLSA-N 2 0 275.440 2.192 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+]Cc2nccn2C)CC1 ZINC000071273173 176105410 /nfs/dbraw/zinc/10/54/10/176105410.db2.gz STAVWIZQWNLSDU-CYBMUJFWSA-N 2 0 264.417 2.020 10 0 CEAERP CC[NH+]1CCC(CNC2=[NH+]C[C@H](C3CC3)S2)CC1 ZINC000071307755 176116434 /nfs/dbraw/zinc/11/64/34/176116434.db2.gz PSZWVTAAPBVDHQ-CYBMUJFWSA-N 2 0 267.442 2.189 10 0 CEAERP C[N@H+](CCNC(=O)C1(C[NH3+])CCCCCC1)C1CCCC1 ZINC000071377508 176142841 /nfs/dbraw/zinc/14/28/41/176142841.db2.gz XYVFGWBGLQUBCW-UHFFFAOYSA-N 2 0 295.471 2.276 10 0 CEAERP COc1ccc([C@H](CC[NH3+])C[NH+](C)C)c(Cl)c1 ZINC000076663546 177050214 /nfs/dbraw/zinc/05/02/14/177050214.db2.gz DPOWRIFHZYLOOB-SNVBAGLBSA-N 2 0 256.777 2.343 10 0 CEAERP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@H](C)CC[NH3+])CC1 ZINC000079118839 177436916 /nfs/dbraw/zinc/43/69/16/177436916.db2.gz PFSWKPBHJFUUFB-HNNXBMFYSA-N 2 0 297.487 2.330 10 0 CEAERP CCCn1nccc1C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262029313 276059564 /nfs/dbraw/zinc/05/95/64/276059564.db2.gz WYRUVGLTSMIHKN-UHFFFAOYSA-N 2 0 290.455 2.472 10 0 CEAERP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296680538 277062125 /nfs/dbraw/zinc/06/21/25/277062125.db2.gz LJAOXRHXSPTWMT-DOMZBBRYSA-N 2 0 260.381 2.453 10 0 CEAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236721513 277896747 /nfs/dbraw/zinc/89/67/47/277896747.db2.gz HLRCJOPOMGSKJF-CVEARBPZSA-N 2 0 295.471 2.001 10 0 CEAERP CCC[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)[NH+](C)C ZINC000136099056 280057844 /nfs/dbraw/zinc/05/78/44/280057844.db2.gz YILRSVIEIFJHRT-JKSUJKDBSA-N 2 0 297.487 2.345 10 0 CEAERP CCC[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+](C)C ZINC000245518785 280246896 /nfs/dbraw/zinc/24/68/96/280246896.db2.gz RZZXATWOLXFRFF-HUUCEWRRSA-N 2 0 297.487 2.343 10 0 CEAERP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246085282 280272570 /nfs/dbraw/zinc/27/25/70/280272570.db2.gz IHSGDPILJSBIKE-XUWVNRHRSA-N 2 0 297.487 2.340 10 0 CEAERP CCC[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+](C)C ZINC000154690403 289152965 /nfs/dbraw/zinc/15/29/65/289152965.db2.gz MYQFMVISGPXFCJ-CQSZACIVSA-N 2 0 283.460 2.096 10 0 CEAERP C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000566967550 299032091 /nfs/dbraw/zinc/03/20/91/299032091.db2.gz GWMZKUWRQGAZHN-XLWJZTARSA-N 2 0 254.418 2.168 10 0 CEAERP C[C@@H](C[NH2+]C1CC[NH2+]CC1)COCc1ccccc1 ZINC000389931493 321893128 /nfs/dbraw/zinc/89/31/28/321893128.db2.gz DXYCSHJAVSJQDN-AWEZNQCLSA-N 2 0 262.397 2.181 10 0 CEAERP CC(C)[NH2+]Cc1occc1COCCC[NH+](C)C ZINC000052672408 519730096 /nfs/dbraw/zinc/73/00/96/519730096.db2.gz UFPZCXJHMFVXHX-UHFFFAOYSA-N 2 0 254.374 2.246 10 0 CEAERP CC(C)C[NH2+]CC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515505 519743922 /nfs/dbraw/zinc/74/39/22/519743922.db2.gz ZYBPHAXOZLSGLA-OAHLLOKOSA-N 3 0 269.477 2.284 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[N@H+](CCCOC)CCOC ZINC000052543278 519913343 /nfs/dbraw/zinc/91/33/43/519913343.db2.gz PAVBRNBSCVKUNX-OAHLLOKOSA-N 2 0 274.449 2.140 10 0 CEAERP CC[NH2+]C[C@@H]1CC[C@H](C[N@H+](CC)C2CCCC2)O1 ZINC000052475579 519952998 /nfs/dbraw/zinc/95/29/98/519952998.db2.gz BQUCDHYAEYPMAF-LSDHHAIUSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[NH2+]Cc1cn(CC[N@H+](C)[C@@H](C)CC(C)C)nn1 ZINC000052571928 519959615 /nfs/dbraw/zinc/95/96/15/519959615.db2.gz FJERPSSNXGKSCW-AWEZNQCLSA-N 2 0 281.448 2.144 10 0 CEAERP CC[NH2+]C[C@H](C)C[N@H+](C)Cc1cccc(OC)c1 ZINC000052372895 519970017 /nfs/dbraw/zinc/97/00/17/519970017.db2.gz BKBCAQVADPUVPW-ZDUSSCGKSA-N 2 0 250.386 2.373 10 0 CEAERP CC[NH2+]Cc1ccoc1COCC[C@H]1CCC[N@@H+]1C ZINC000052673143 520013432 /nfs/dbraw/zinc/01/34/32/520013432.db2.gz PRXZSGMCFUOYIQ-CQSZACIVSA-N 2 0 266.385 2.390 10 0 CEAERP CC[NH+](CC)CCc1nc(C)c([C@@H](C)C[NH2+]C)c(C)n1 ZINC000054854646 520710806 /nfs/dbraw/zinc/71/08/06/520710806.db2.gz NFYWBPVOBOIZKE-LBPRGKRZSA-N 2 0 278.444 2.301 10 0 CEAERP CCC[C@@]1(CN2CC[NH+](CC(C)C)CC2)CC[NH2+]C1 ZINC000062912442 520958065 /nfs/dbraw/zinc/95/80/65/520958065.db2.gz WNXBCTZSUMXMRC-MRXNPFEDSA-N 2 0 267.461 2.040 10 0 CEAERP CCCN(CC[NH+](C)C)[C@@H](C)C[NH2+]Cc1ccco1 ZINC000053496753 521658172 /nfs/dbraw/zinc/65/81/72/521658172.db2.gz KNILAYJDCMWETQ-AWEZNQCLSA-N 2 0 267.417 2.031 10 0 CEAERP CC(C)C[C@H](C)[N@H+](C)CCn1cc(C[NH2+]C(C)C)nn1 ZINC000052571931 519310711 /nfs/dbraw/zinc/31/07/11/519310711.db2.gz PNEWZMFRMPEGJS-AWEZNQCLSA-N 2 0 281.448 2.143 10 0 CEAERP CC(C)C1CCC(C[NH3+])(N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000062964539 519561339 /nfs/dbraw/zinc/56/13/39/519561339.db2.gz SDPSEWKXCWGSIZ-PCKAHOCUSA-N 2 0 267.461 2.166 10 0 CEAERP CC(C)[NH+]1CCN(Cc2cc(C[NH2+]C3CC3)co2)CC1 ZINC000052480084 519682128 /nfs/dbraw/zinc/68/21/28/519682128.db2.gz MTOXDEWITQXCBD-UHFFFAOYSA-N 2 0 277.412 2.058 10 0 CEAERP CC(C)CC[C@H](C)[NH2+]CCN1CCC[C@@H]1C[NH+](C)C ZINC000061655089 519691485 /nfs/dbraw/zinc/69/14/85/519691485.db2.gz WCPIWBYWUADLIH-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+]Cc1ccc(N2CCC(C[NH+](C)C)CC2)nc1 ZINC000051484389 519726623 /nfs/dbraw/zinc/72/66/23/519726623.db2.gz VWWLELAFUOVTCN-UHFFFAOYSA-N 2 0 290.455 2.358 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H]2CCCCC[C@H]2C[NH3+])CC1 ZINC000055077566 519727506 /nfs/dbraw/zinc/72/75/06/519727506.db2.gz CBBJEKZAXYQOER-JKSUJKDBSA-N 2 0 267.461 2.168 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](c2cccs2)[C@@H](C)[NH3+])CC1 ZINC000055077307 519727991 /nfs/dbraw/zinc/72/79/91/519727991.db2.gz BVTXZQZPBGINRH-HIFRSBDPSA-N 2 0 281.469 2.410 10 0 CEAERP CC(C)[NH2+]Cc1occc1COC1CC[NH+](C)CC1 ZINC000052596668 519730147 /nfs/dbraw/zinc/73/01/47/519730147.db2.gz LOFYHBPCFRDOMI-UHFFFAOYSA-N 2 0 266.385 2.388 10 0 CEAERP CC(C)C[NH2+]CC[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515507 519744209 /nfs/dbraw/zinc/74/42/09/519744209.db2.gz ZYBPHAXOZLSGLA-HNNXBMFYSA-N 3 0 269.477 2.284 10 0 CEAERP CC(C)C[NH2+]C[C@H](OC1CC[NH+](C)CC1)C(C)C ZINC000052596464 519746035 /nfs/dbraw/zinc/74/60/35/519746035.db2.gz AVNFMRPCYPNTTR-HNNXBMFYSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)C[NH2+]C[C@H]1CC[C@H](C[N@H+](C)CC(C)C)O1 ZINC000052452835 519746476 /nfs/dbraw/zinc/74/64/76/519746476.db2.gz OKKAPYQLEPZWPI-HUUCEWRRSA-N 2 0 256.434 2.367 10 0 CEAERP CC(C)C[NH2+]Cc1nc(COCCC[NH+](C)C)cs1 ZINC000052672196 519748420 /nfs/dbraw/zinc/74/84/20/519748420.db2.gz LEZPMAJZHFHOGT-UHFFFAOYSA-N 2 0 285.457 2.357 10 0 CEAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[NH2+]1)[NH+]1CCCC1 ZINC000050950234 519815315 /nfs/dbraw/zinc/81/53/15/519815315.db2.gz INIUZAINGSGGKE-CVEARBPZSA-N 2 0 295.471 2.145 10 0 CEAERP CCC1CCC(C[NH3+])(N2CCC[C@H]2C[NH+](C)C)CC1 ZINC000061642996 519850741 /nfs/dbraw/zinc/85/07/41/519850741.db2.gz JMVMVFMYSJCPKK-PCKAHOCUSA-N 2 0 267.461 2.310 10 0 CEAERP CCC[NH+]1CCN(CCCC[NH2+]C(C)(C)C)CC1 ZINC000052421718 519857706 /nfs/dbraw/zinc/85/77/06/519857706.db2.gz QAYOIESKFAEBPP-UHFFFAOYSA-N 2 0 255.450 2.182 10 0 CEAERP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCOC ZINC000054628879 519907360 /nfs/dbraw/zinc/90/73/60/519907360.db2.gz UQXKTZQXMSFBHX-GOOCMWNKSA-N 2 0 254.418 2.408 10 0 CEAERP CC[NH2+]C(C)(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000061291232 519907631 /nfs/dbraw/zinc/90/76/31/519907631.db2.gz HLZPSAAEPFKEAV-UHFFFAOYSA-N 2 0 263.385 2.075 10 0 CEAERP CCC[NH2+]CC(C)(C)C[N@@H+]1CCC[C@H]1CCCO ZINC000052763378 519908490 /nfs/dbraw/zinc/90/84/90/519908490.db2.gz OOFRBKWMOQAREP-AWEZNQCLSA-N 2 0 256.434 2.249 10 0 CEAERP CCC[NH2+]CC1(C[N@@H+]2CCC[C@H]2C)CCOCC1 ZINC000052180441 519911419 /nfs/dbraw/zinc/91/14/19/519911419.db2.gz YOAOXFNURSPEJX-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CC1(C[N@@H+]2CCC[C@H]2CC)CCOCC1 ZINC000052180403 519912559 /nfs/dbraw/zinc/91/25/59/519912559.db2.gz AKUMMWIHVYKJSX-CQSZACIVSA-N 2 0 254.418 2.267 10 0 CEAERP CC[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000061286850 519916164 /nfs/dbraw/zinc/91/61/64/519916164.db2.gz NBYZCMQCHXNRRM-INIZCTEOSA-N 2 0 291.439 2.185 10 0 CEAERP CCC[NH2+]C[C@@H](C)C[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000052545307 519919901 /nfs/dbraw/zinc/91/99/01/519919901.db2.gz PODXPSUUXGPNCQ-KGLIPLIRSA-N 2 0 256.434 2.369 10 0 CEAERP CCC[NH2+]C[C@@H]1CC[C@H](COCC[C@@H]2CCC[N@@H+]2C)O1 ZINC000052673631 519927433 /nfs/dbraw/zinc/92/74/33/519927433.db2.gz VAWSIUHOWNFBBE-HRCADAONSA-N 2 0 284.444 2.035 10 0 CEAERP CCC[NH2+]C[C@H](C(C)C)N1CC[NH+](CCC)CC1 ZINC000052421695 519929788 /nfs/dbraw/zinc/92/97/88/519929788.db2.gz AWFQEMKKQBHUNQ-OAHLLOKOSA-N 2 0 255.450 2.038 10 0 CEAERP CC[NH2+]C[C@@H](C(C)C)N(C)C1CC[NH+](CC)CC1 ZINC000052543922 519930482 /nfs/dbraw/zinc/93/04/82/519930482.db2.gz LXLVPRYJABZYGR-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000052422467 519948135 /nfs/dbraw/zinc/94/81/35/519948135.db2.gz NTLZAZISYLOOLW-UHFFFAOYSA-N 2 0 275.440 2.324 10 0 CEAERP CCC[NH2+]Cc1ccoc1C[N@H+](CCCOC)CCOC ZINC000052543231 519960398 /nfs/dbraw/zinc/96/03/98/519960398.db2.gz XCMPLAOWGTUPLF-UHFFFAOYSA-N 2 0 298.427 2.264 10 0 CEAERP CCC[NH2+][C@@H](C)[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000055079413 519986418 /nfs/dbraw/zinc/98/64/18/519986418.db2.gz ZZVRKHODTNUDQC-LSDHHAIUSA-N 2 0 255.450 2.037 10 0 CEAERP CC[NH2+]Cc1ccc(CN2CC[NH+](CC(C)C)CC2)o1 ZINC000055082753 519996674 /nfs/dbraw/zinc/99/66/74/519996674.db2.gz BUPSQHJTGJKITQ-UHFFFAOYSA-N 2 0 279.428 2.163 10 0 CEAERP CC[NH2+]Cc1ccc(OCC[N@H+](C)[C@H](C)COC)cc1 ZINC000052511661 519999269 /nfs/dbraw/zinc/99/92/69/519999269.db2.gz GXZHEXCUKMSGCC-CQSZACIVSA-N 2 0 280.412 2.142 10 0 CEAERP CCC[NH2+][C@@H]1CCC[C@H]1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055066067 520022217 /nfs/dbraw/zinc/02/22/17/520022217.db2.gz AFVGASNFJIYJMV-ARFHVFGLSA-N 2 0 267.461 2.323 10 0 CEAERP CCC[NH2+][C@H](CN1CC[NH+]([C@H](C)CC)CC1)C1CC1 ZINC000069075030 520082878 /nfs/dbraw/zinc/08/28/78/520082878.db2.gz OAQLYSLJHJSICI-GDBMZVCRSA-N 2 0 267.461 2.181 10 0 CEAERP CC[NH2+][C@@H](CN1CC[C@H]([NH+](CC)CC)C1)C(C)(C)C ZINC000062978984 520100031 /nfs/dbraw/zinc/10/00/31/520100031.db2.gz IURRPCSTEMTUHK-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@H](CN1CC[NH+]([C@H](C)CC)CC1)C(C)(C)C ZINC000055065949 520198926 /nfs/dbraw/zinc/19/89/26/520198926.db2.gz KAVOFMLAVSPVIO-HUUCEWRRSA-N 2 0 269.477 2.427 10 0 CEAERP CCO[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C)c2)C1 ZINC000052372121 520320483 /nfs/dbraw/zinc/32/04/83/520320483.db2.gz CBRPKGWGTHQZRF-MRXNPFEDSA-N 2 0 262.397 2.407 10 0 CEAERP CC[NH+](CC)CCCN1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054601492 520609889 /nfs/dbraw/zinc/60/98/89/520609889.db2.gz CZEIDRKLKKCATG-GOOCMWNKSA-N 2 0 253.434 2.063 10 0 CEAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000068878909 520636782 /nfs/dbraw/zinc/63/67/82/520636782.db2.gz SMVZWOXBMVIFQW-QWRGUYRKSA-N 2 0 270.339 2.010 10 0 CEAERP CC[NH+](CC)[C@H]1CCN(Cc2cc(F)ccc2C[NH3+])C1 ZINC000069401638 520874731 /nfs/dbraw/zinc/87/47/31/520874731.db2.gz LSVIJDBCNCTCJW-INIZCTEOSA-N 2 0 279.403 2.201 10 0 CEAERP CC[N@H+](CC1CC1)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000069239953 520957571 /nfs/dbraw/zinc/95/75/71/520957571.db2.gz FVDPHRDUQZMSOC-HNNXBMFYSA-N 2 0 254.418 2.123 10 0 CEAERP CCC[C@H](C)[NH2+]CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055075352 521060919 /nfs/dbraw/zinc/06/09/19/521060919.db2.gz ZIPZHKCBVWTGRB-LSDHHAIUSA-N 2 0 255.450 2.181 10 0 CEAERP CCC[C@H](C)[C@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978601 521066113 /nfs/dbraw/zinc/06/61/13/521066113.db2.gz KJFJXWVBEJWXCP-JYJNAYRXSA-N 2 0 267.461 2.310 10 0 CEAERP CC[N@H+](Cc1cc(C)c(C[NH2+]C)o1)[C@@H](C)COC ZINC000052505149 521286261 /nfs/dbraw/zinc/28/62/61/521286261.db2.gz FOKVPOQRJDVLBL-LBPRGKRZSA-N 2 0 254.374 2.164 10 0 CEAERP CC[N@H+](Cc1ccoc1C[NH2+]C1CC1)[C@H](C)COC ZINC000052504835 521424255 /nfs/dbraw/zinc/42/42/55/521424255.db2.gz IQRBZTDHBQQRHQ-GFCCVEGCSA-N 2 0 266.385 2.388 10 0 CEAERP CCCc1nc(N2CC[NH+]([C@@H](C)CC)CC2)sc1C[NH3+] ZINC000055076538 521532846 /nfs/dbraw/zinc/53/28/46/521532846.db2.gz WIBPMJGQABUMCN-LBPRGKRZSA-N 2 0 296.484 2.475 10 0 CEAERP CC[NH+]1CCC([C@H](C)[NH2+]CCN2CCCCC2)CC1 ZINC000049574790 521585241 /nfs/dbraw/zinc/58/52/41/521585241.db2.gz HSYIOSWMEWPSPR-HNNXBMFYSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[N@H+](CCC[NH3+])CCCOCC(F)(F)F ZINC000049312077 521652902 /nfs/dbraw/zinc/65/29/02/521652902.db2.gz OELRRZXAGOGACK-UHFFFAOYSA-N 2 0 256.312 2.016 10 0 CEAERP CCCN(CC[NH+](C)C)Cc1cc(C[NH2+]C(C)(C)C)no1 ZINC000052544200 521656801 /nfs/dbraw/zinc/65/68/01/521656801.db2.gz HDJXECJPKBVDOE-UHFFFAOYSA-N 2 0 296.459 2.336 10 0 CEAERP CC[NH+]1CCN(C[C@H]2C[C@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054559458 521687087 /nfs/dbraw/zinc/68/70/87/521687087.db2.gz WGKTYAIZZSBSRR-ZACQAIPSSA-N 2 0 281.488 2.284 10 0 CEAERP C[NH2+]CCC[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000052422932 522001240 /nfs/dbraw/zinc/00/12/40/522001240.db2.gz FTBCCCYQIPYZRF-HNNXBMFYSA-N 2 0 291.439 2.205 10 0 CEAERP C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2C[NH3+])C1 ZINC000062963681 522055770 /nfs/dbraw/zinc/05/57/70/522055770.db2.gz XQAVIRLRSNDGPD-GFCCVEGCSA-N 2 0 287.329 2.304 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@@H](C[NH+](CC(C)C)CC(C)C)O1 ZINC000052485028 522057927 /nfs/dbraw/zinc/05/79/27/522057927.db2.gz XWFFBXDSHJUMJM-GJZGRUSLSA-N 2 0 256.434 2.367 10 0 CEAERP C[NH2+]C[C@H]1CC[C@@H](C[N@H+](C)Cc2cccc(C)c2)O1 ZINC000052346044 522092948 /nfs/dbraw/zinc/09/29/48/522092948.db2.gz WBSKMMQJSNDPEF-CVEARBPZSA-N 2 0 262.397 2.194 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000055083583 522119247 /nfs/dbraw/zinc/11/92/47/522119247.db2.gz YNQSGYYAQZYHMM-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000055083391 522124282 /nfs/dbraw/zinc/12/42/82/522124282.db2.gz KEYZGGFOZBUBII-QAPCUYQASA-N 2 0 287.451 2.117 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@H](C[NH3+])c2ccccc2OC)CC1 ZINC000055063641 522131955 /nfs/dbraw/zinc/13/19/55/522131955.db2.gz FCWROGPQROWBMC-GDBMZVCRSA-N 2 0 291.439 2.111 10 0 CEAERP CC[C@H](C[NH2+]C(C)C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055074621 522192759 /nfs/dbraw/zinc/19/27/59/522192759.db2.gz DJOZEROGHLKLMY-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]([NH3+])[C@@H](N1CCC[C@@H]1C[NH+](C)C)C(C)(C)C ZINC000061642082 522337114 /nfs/dbraw/zinc/33/71/14/522337114.db2.gz KELVUULDMLVHRU-HZSPNIEDSA-N 2 0 255.450 2.164 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643405 522373144 /nfs/dbraw/zinc/37/31/44/522373144.db2.gz HLGDMOCEUQNVMR-DJIMGWMZSA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@H](C)CCCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000062979515 522439475 /nfs/dbraw/zinc/43/94/75/522439475.db2.gz BZLGGNVUSRFINK-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1N1CC[NH+](C2CCCC2)CC1 ZINC000052061085 522490447 /nfs/dbraw/zinc/49/04/47/522490447.db2.gz LWFSQOSONDBKDW-DLBZAZTESA-N 2 0 279.472 2.467 10 0 CEAERP C[NH2+][C@H]1c2ccccc2C[C@H]1N1CC[NH+](CC(C)C)CC1 ZINC000055078854 522510220 /nfs/dbraw/zinc/51/02/20/522510220.db2.gz GNVLYRGHKDJUMH-MSOLQXFVSA-N 2 0 287.451 2.145 10 0 CEAERP CC[C@@H](C[NH2+]C(C)C)N1CC[NH+](C2CCCC2)CC1 ZINC000052573465 522542845 /nfs/dbraw/zinc/54/28/45/522542845.db2.gz XPRIAWFJBCEESK-HNNXBMFYSA-N 2 0 267.461 2.323 10 0 CEAERP C[N@H+](CCC[C@@H]1CCCC[NH2+]1)CCc1ccncc1 ZINC000050952806 522786368 /nfs/dbraw/zinc/78/63/68/522786368.db2.gz ZLDBWUWLTAILHI-INIZCTEOSA-N 2 0 261.413 2.478 10 0 CEAERP COCCC[N@H+](CCOC)Cc1ccc(C[NH2+]C(C)C)o1 ZINC000052543239 523256308 /nfs/dbraw/zinc/25/63/08/523256308.db2.gz YAYBQGBEMQYVAC-UHFFFAOYSA-N 2 0 298.427 2.263 10 0 CEAERP CC[C@H](C)[NH+]1CCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000055075486 523953986 /nfs/dbraw/zinc/95/39/86/523953986.db2.gz ZZWMSPWLQLQGOY-HNNXBMFYSA-N 2 0 269.477 2.428 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH3+])c2ccccc2C)CC1 ZINC000055065411 523955245 /nfs/dbraw/zinc/95/52/45/523955245.db2.gz BBJVGCHAVCQMHQ-RDJZCZTQSA-N 2 0 275.440 2.411 10 0 CEAERP CC[C@H](C)[NH+]1CCN(C[C@H]([NH2+]C)c2ccccc2)CC1 ZINC000055065327 523955340 /nfs/dbraw/zinc/95/53/40/523955340.db2.gz FKSPYTBBGXVPAS-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP CC[C@H](C)[NH+]1CCN([C@H](C[NH3+])c2cccc(F)c2)CC1 ZINC000055063891 523959617 /nfs/dbraw/zinc/95/96/17/523959617.db2.gz HEGCSDMUIRIOSP-XJKSGUPXSA-N 2 0 279.403 2.242 10 0 CEAERP CCc1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+]3CCCC3)C2)s1 ZINC000062978403 524029483 /nfs/dbraw/zinc/02/94/83/524029483.db2.gz DMHGXCJCXJLSSJ-DZGCQCFKSA-N 2 0 293.480 2.480 10 0 CEAERP C[NH+](C)CCCOCc1csc(C[NH2+]C(C)(C)C)n1 ZINC000052672194 524058353 /nfs/dbraw/zinc/05/83/53/524058353.db2.gz KOLZHSIKMKLZGJ-UHFFFAOYSA-N 2 0 285.457 2.500 10 0 CEAERP Cc1cc(C)c(C[NH2+]C(C)C)c(OCC[NH+](C)C)n1 ZINC000051548788 524269516 /nfs/dbraw/zinc/26/95/16/524269516.db2.gz ZTGRHVLTFVCZSM-UHFFFAOYSA-N 2 0 265.401 2.137 10 0 CEAERP C[C@@H](CCC[NH2+]C1CC1)[N@H+](C)CCc1ccccn1 ZINC000052423932 524458799 /nfs/dbraw/zinc/45/87/99/524458799.db2.gz TYEZNRZBRDIHTB-AWEZNQCLSA-N 2 0 261.413 2.477 10 0 CEAERP C[C@H](C[NH2+]C(C)(C)C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515267 524477875 /nfs/dbraw/zinc/47/78/75/524477875.db2.gz IWEJMVNUBAPTCS-CQSZACIVSA-N 3 0 269.477 2.284 10 0 CEAERP C[C@@H]1CC[N@H+](C[C@@H]2Cc3ccccc3O2)CCC[NH2+]1 ZINC000051087183 524507384 /nfs/dbraw/zinc/50/73/84/524507384.db2.gz YWSQDKIISWPNOF-HIFRSBDPSA-N 2 0 260.381 2.064 10 0 CEAERP C[C@@H](C[NH+]1CCCCC1)N1[C@@H]2CCC[C@H]1CC([NH3+])C2 ZINC000054602912 524602437 /nfs/dbraw/zinc/60/24/37/524602437.db2.gz WDQZHQQKSAZKOL-HNSVSWJLSA-N 2 0 265.445 2.205 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000049562077 525027766 /nfs/dbraw/zinc/02/77/66/525027766.db2.gz XPEISTXHKGJVTR-NWDGAFQWSA-N 2 0 278.400 2.168 10 0 CEAERP Cc1ccccc1C[N@@H+](C)Cc1cccnc1C[NH3+] ZINC000061656585 525128392 /nfs/dbraw/zinc/12/83/92/525128392.db2.gz YRNFBGGSBMLTDO-UHFFFAOYSA-N 2 0 255.365 2.481 10 0 CEAERP C[C@@H]1C[C@@H]1c1ccc([C@@H](C[NH3+])N2CC[C@H]([NH+](C)C)C2)o1 ZINC000062964629 525344758 /nfs/dbraw/zinc/34/47/58/525344758.db2.gz LKRYIQVUKKEWDZ-ZOBORPQBSA-N 2 0 277.412 2.039 10 0 CEAERP C[C@H]([NH2+]CCN1CCC[C@@H]1C[NH+](C)C)c1cccs1 ZINC000061655082 525353507 /nfs/dbraw/zinc/35/35/07/525353507.db2.gz QQMADFFDNSTWFX-UONOGXRCSA-N 2 0 281.469 2.425 10 0 CEAERP Cc1ccccc1[C@@H]([NH3+])CCN1CCC[N@@H+](C)CC1 ZINC000054016442 525366296 /nfs/dbraw/zinc/36/62/96/525366296.db2.gz FDRKRGZRMPEAMU-INIZCTEOSA-N 2 0 261.413 2.022 10 0 CEAERP Cc1cc([C@H](C[NH3+])N2CC[NH+](CC3CC3)CC2)ccc1F ZINC000050546351 525536808 /nfs/dbraw/zinc/53/68/08/525536808.db2.gz FRDFZCNELONGGE-KRWDZBQOSA-N 2 0 291.414 2.162 10 0 CEAERP C[C@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C2CCCC2)CC1 ZINC000052060803 526259780 /nfs/dbraw/zinc/25/97/80/526259780.db2.gz HFATYKMOPKKOEE-RDJZCZTQSA-N 2 0 279.472 2.454 10 0 CEAERP Fc1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011822 526328728 /nfs/dbraw/zinc/32/87/28/526328728.db2.gz HQMBUVFCESVKRB-AWEZNQCLSA-N 2 0 262.372 2.442 10 0 CEAERP c1cc(CN2CC[NH+](C3CC3)CC2)ccc1C[NH2+]C1CC1 ZINC000052371383 526424813 /nfs/dbraw/zinc/42/48/13/526424813.db2.gz PDLFFDGIYCPXJV-UHFFFAOYSA-N 2 0 285.435 2.219 10 0 CEAERP c1ccc(N2CC[NH+](CCC[C@H]3CCCC[NH2+]3)CC2)nc1 ZINC000050952375 526481271 /nfs/dbraw/zinc/48/12/71/526481271.db2.gz IGWUNPKXAYJTJA-MRXNPFEDSA-N 2 0 288.439 2.126 10 0 CEAERP [NH3+]CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CCCO ZINC000055017723 527193457 /nfs/dbraw/zinc/19/34/57/527193457.db2.gz AMSZNBBBNSZFND-HZPDHXFCSA-N 2 0 262.397 2.313 10 0 CEAERP [NH3+]C[C@H]1CC[C@H](C[N@H+](Cc2ccsc2)C2CC2)O1 ZINC000052542057 527240365 /nfs/dbraw/zinc/24/03/65/527240365.db2.gz WGNCLXZGZHEWGX-ZIAGYGMSSA-N 2 0 266.410 2.219 10 0 CEAERP [NH3+]Cc1cc(C[N@@H+]2CCCc3ccccc3C2)ccn1 ZINC000068750556 527247426 /nfs/dbraw/zinc/24/74/26/527247426.db2.gz JBNZUWGWZPVALU-UHFFFAOYSA-N 2 0 267.376 2.489 10 0 CEAERP CN(C)C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000094074939 628753615 /nfs/dbraw/zinc/75/36/15/628753615.db2.gz IIBGPKXBDWAOHV-UYSNPLJNSA-N 2 0 261.413 2.149 10 0 CEAERP CC(C)(C)n1cc([C@H]2CC[C@@H](CC[NH3+])C[NH2+]2)cn1 ZINC000757237543 631838752 /nfs/dbraw/zinc/83/87/52/631838752.db2.gz QEWPQDPOJJXJDY-WCQYABFASA-N 2 0 250.390 2.028 10 0 CEAERP CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129107010 651805521 /nfs/dbraw/zinc/80/55/21/651805521.db2.gz AIYKVXQDVPTBRQ-UONOGXRCSA-N 2 0 264.417 2.030 10 0 CEAERP Nc1cc[nH+]c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000043569038 362146839 /nfs/dbraw/zinc/14/68/39/362146839.db2.gz MJJXEUTZJZPYTQ-UHFFFAOYSA-N 2 0 260.385 2.119 10 0 CEAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262336050 344654457 /nfs/dbraw/zinc/65/44/57/344654457.db2.gz ZEBGIMGNJSLKAE-OAGGEKHMSA-N 2 0 295.471 2.275 10 0 CEAERP c1ccc(C[N@@H+]2CCCN([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000306500165 344713898 /nfs/dbraw/zinc/71/38/98/344713898.db2.gz MSLPODGGGOHCRJ-SFHVURJKSA-N 2 0 287.451 2.336 10 0 CEAERP C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@@H]1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000084465994 178891753 /nfs/dbraw/zinc/89/17/53/178891753.db2.gz DVUAVPCKJHNZIU-UUAJXVIYSA-N 2 0 279.472 2.179 10 0 CEAERP CC[NH2+][C@](C)(CO)CCC[NH+]1CCC(C)(C)CC1 ZINC000085212594 178976061 /nfs/dbraw/zinc/97/60/61/178976061.db2.gz QECXRKDTOSGSJG-HNNXBMFYSA-N 2 0 256.434 2.249 10 0 CEAERP C[NH2+][C@](C)(CO)CCC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000085261705 178991527 /nfs/dbraw/zinc/99/15/27/178991527.db2.gz ZBAOJFIPXJTCNQ-CVEARBPZSA-N 2 0 270.461 2.495 10 0 CEAERP CC1CCC([N@H+](C)CCCC[C@](C)(O)C[NH3+])CC1 ZINC000085301494 179010388 /nfs/dbraw/zinc/01/03/88/179010388.db2.gz AOEUQNIPXAKBAT-NRXISQOPSA-N 2 0 256.434 2.377 10 0 CEAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368423 179038186 /nfs/dbraw/zinc/03/81/86/179038186.db2.gz QICKJQTXKOVNAA-JKSUJKDBSA-N 2 0 297.487 2.330 10 0 CEAERP CCCc1nc2c(n1CC1CC[NH+](CC)CC1)CC[NH2+]C2 ZINC000085573305 179097962 /nfs/dbraw/zinc/09/79/62/179097962.db2.gz VWISEVMKZPANFT-UHFFFAOYSA-N 2 0 290.455 2.213 10 0 CEAERP CCC[NH+]1CCC(n2c(CC)nc3c2CC[NH2+]C3)CC1 ZINC000085573865 179099336 /nfs/dbraw/zinc/09/93/36/179099336.db2.gz BTGFKLATOXFJOZ-UHFFFAOYSA-N 2 0 276.428 2.138 10 0 CEAERP FC(F)(F)COCCC[N@@H+]1CCC[NH2+][C@H](C2CC2)C1 ZINC000085616403 179104210 /nfs/dbraw/zinc/10/42/10/179104210.db2.gz OLNUUFZNRWKUGB-LBPRGKRZSA-N 2 0 280.334 2.029 10 0 CEAERP C[C@H]1CC[NH2+]C2(CCCC2)C[N@@H+]1CC1CCOCC1 ZINC000085623373 179105785 /nfs/dbraw/zinc/10/57/85/179105785.db2.gz AJCGCDHXQRDROB-AWEZNQCLSA-N 2 0 266.429 2.410 10 0 CEAERP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000085675584 179112594 /nfs/dbraw/zinc/11/25/94/179112594.db2.gz DBHVDRFQCJDFFW-RQJABVFESA-N 2 0 254.418 2.120 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000085636423 179109432 /nfs/dbraw/zinc/10/94/32/179109432.db2.gz RQVHFSGPDBXBLP-XQLPTFJDSA-N 2 0 266.429 2.120 10 0 CEAERP C[C@@H]([NH3+])Cc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000111503964 136562939 /nfs/dbraw/zinc/56/29/39/136562939.db2.gz UUORPFSMIOGAET-CQSZACIVSA-N 2 0 275.440 2.354 10 0 CEAERP c1ccc([C@@H]2CN([C@@H]3CC[N@@H+]4CCCC[C@H]34)CC[NH2+]2)cc1 ZINC000086144866 179237235 /nfs/dbraw/zinc/23/72/35/179237235.db2.gz LETWXVWNVRSINF-RCCFBDPRSA-N 2 0 285.435 2.260 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1CC[NH2+][C@@](C)(c2ccccc2)C1 ZINC000086144717 179237507 /nfs/dbraw/zinc/23/75/07/179237507.db2.gz FMVWOWPXUGIGFD-DOTOQJQBSA-N 2 0 275.440 2.147 10 0 CEAERP C[C@@H]1CN([C@@H]2C[NH+]3CCC2CC3)[C@H](c2ccccc2)C[NH2+]1 ZINC000086152500 179240420 /nfs/dbraw/zinc/24/04/20/179240420.db2.gz UJWJWKFXEBCUAG-FHLIZLRMSA-N 2 0 285.435 2.116 10 0 CEAERP CC[C@H](C)[C@@H]1CN(CCC[NH+](C)C)[C@H](C(C)C)C[NH2+]1 ZINC000086153919 179240689 /nfs/dbraw/zinc/24/06/89/179240689.db2.gz UEUNCYALEUPNRU-JYJNAYRXSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@H](C)[C@@H]1CN(C[C@@H]2CC[N@H+](C)C2)[C@@H](CC)C[NH2+]1 ZINC000086171856 179243904 /nfs/dbraw/zinc/24/39/04/179243904.db2.gz LWLOSSPDDDOWHS-FZKCQIBNSA-N 2 0 267.461 2.037 10 0 CEAERP C[C@H]1CN(C[C@@H]2CCC[N@H+](C)C2)[C@H](c2ccccc2)C[NH2+]1 ZINC000086173706 179244043 /nfs/dbraw/zinc/24/40/43/179244043.db2.gz NXUBSUUUIUUCRC-JZXOWHBKSA-N 2 0 287.451 2.363 10 0 CEAERP CC[C@H](C)[C@H]1CN(CCCC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086174294 179245452 /nfs/dbraw/zinc/24/54/52/179245452.db2.gz BHZWMGWPHNSXBJ-HRCADAONSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086174305 179245670 /nfs/dbraw/zinc/24/56/70/179245670.db2.gz DPQPCMXAVPXLMA-CVEARBPZSA-N 2 0 269.477 2.283 10 0 CEAERP CC[C@H](C)[C@@H]1CN(CCCC[NH+](C)C)[C@@H](CC)C[NH2+]1 ZINC000086174292 179245748 /nfs/dbraw/zinc/24/57/48/179245748.db2.gz BHZWMGWPHNSXBJ-JYJNAYRXSA-N 2 0 269.477 2.427 10 0 CEAERP CC[C@@H]1C[NH2+][C@@H](CC(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217873 179249652 /nfs/dbraw/zinc/24/96/52/179249652.db2.gz CQURXLGUNUHIAV-LSDHHAIUSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]1C[NH2+][C@H](C(C)(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217808 179249764 /nfs/dbraw/zinc/24/97/64/179249764.db2.gz FIRBVJXROBTDMH-ZFWWWQNUSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+][C@H](CC(C)C)CN1C1CC[NH+](C)CC1 ZINC000086217871 179249971 /nfs/dbraw/zinc/24/99/71/179249971.db2.gz CQURXLGUNUHIAV-HUUCEWRRSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@@H]1C[NH2+]C2(CCCCC2)CN1C[C@@H]1CC[N@H+](C)C1 ZINC000086223132 179251618 /nfs/dbraw/zinc/25/16/18/179251618.db2.gz XCNUTIAMARTXCB-HZPDHXFCSA-N 2 0 279.472 2.325 10 0 CEAERP C[C@@H]1C[NH2+][C@H](C2CCCCC2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223956 179253113 /nfs/dbraw/zinc/25/31/13/179253113.db2.gz HMRFOEJLMKOTKM-OIISXLGYSA-N 2 0 279.472 2.323 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N2CC(CC)(CC)[NH2+]C[C@@H]2C)C1 ZINC000086225415 179253435 /nfs/dbraw/zinc/25/34/35/179253435.db2.gz CUYIGSAVAAVZTD-LSDHHAIUSA-N 2 0 267.461 2.323 10 0 CEAERP C[C@@H]1C[NH2+][C@H](c2ccccc2)CN1[C@@H]1CCC[N@H+](C)C1 ZINC000086223916 179253879 /nfs/dbraw/zinc/25/38/79/179253879.db2.gz HHVHQNLXXCHFDZ-OIISXLGYSA-N 2 0 273.424 2.116 10 0 CEAERP CC[C@@H]1C[NH2+][C@@](C)(C2CC2)CN1C[C@@H]1CCCC[N@@H+]1C ZINC000086259299 179258732 /nfs/dbraw/zinc/25/87/32/179258732.db2.gz CZUCADLXLOOXHZ-IXDOHACOSA-N 2 0 279.472 2.323 10 0 CEAERP C[C@@H]1CN[C@H](C(C)(C)C)C[N@@H+]1CCCC[NH+](C)C ZINC000086261107 179260376 /nfs/dbraw/zinc/26/03/76/179260376.db2.gz TYZPWGJPWVFLNG-KGLIPLIRSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)[N@@H+]1CC[C@@H](CN2C[C@](C)(C3CC3)[NH2+]C[C@@H]2C)C1 ZINC000086260720 179260443 /nfs/dbraw/zinc/26/04/43/179260443.db2.gz CYUUIKRDDILDBT-ZMSDIMECSA-N 2 0 279.472 2.179 10 0 CEAERP CC[C@@H](C)[C@H]1CN(C[C@@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000086288663 179264516 /nfs/dbraw/zinc/26/45/16/179264516.db2.gz GRYZHYVUWIYECD-BZUAXINKSA-N 2 0 267.461 2.038 10 0 CEAERP CC(C)[C@@H]1CN[C@](C)(C2CC2)C[N@@H+]1CC1CC[NH+](C)CC1 ZINC000086258990 179256881 /nfs/dbraw/zinc/25/68/81/179256881.db2.gz KIDSLTRTDYUILB-ROUUACIJSA-N 2 0 293.499 2.427 10 0 CEAERP CC[C@H]1CNC(C)(C)C[N@@H+]1CC1CC[NH+](CC)CC1 ZINC000086259192 179257577 /nfs/dbraw/zinc/25/75/77/179257577.db2.gz NKYCTNHGZRJLMF-HNNXBMFYSA-N 2 0 267.461 2.181 10 0 CEAERP C[C@@H](CC[NH+](C)C)N1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000086290502 179265692 /nfs/dbraw/zinc/26/56/92/179265692.db2.gz WJZFQPZUKIWDJP-RDJZCZTQSA-N 2 0 275.440 2.363 10 0 CEAERP C1CC1[N@@H+]1CC[C@H](N2CCC[NH2+]C3(CCCCC3)C2)C1 ZINC000086291910 179266442 /nfs/dbraw/zinc/26/64/42/179266442.db2.gz SSUKSICNPNMOFP-INIZCTEOSA-N 2 0 277.456 2.221 10 0 CEAERP C[NH2+][C@H]1CCCc2sc(N3CC[NH+](C(C)C)CC3)nc21 ZINC000086442770 179293926 /nfs/dbraw/zinc/29/39/26/179293926.db2.gz BJALVFKMDZPDCQ-LBPRGKRZSA-N 2 0 294.468 2.270 10 0 CEAERP [NH3+][C@@H]1CCCc2sc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc21 ZINC000086444055 179294249 /nfs/dbraw/zinc/29/42/49/179294249.db2.gz HKBAMVWPTIPBGL-VXGBXAGGSA-N 2 0 292.452 2.154 10 0 CEAERP C[C@H](C[NH+]1CCCCC1)NC1=[NH+]C[C@@H](C)CS1 ZINC000086632834 179315164 /nfs/dbraw/zinc/31/51/64/179315164.db2.gz GAGFGXSZUBVBMV-VXGBXAGGSA-N 2 0 255.431 2.189 10 0 CEAERP Cc1ccc(CN(C)[C@@]2(C[NH3+])CCC[N@H+](C)CC2)cc1 ZINC000086819255 179348127 /nfs/dbraw/zinc/34/81/27/179348127.db2.gz HIZXSPBNSOKTHI-KRWDZBQOSA-N 2 0 275.440 2.240 10 0 CEAERP CN(C1CCCCCC1)[C@]1(C[NH3+])CCC[N@H+](C)CC1 ZINC000086819326 179348804 /nfs/dbraw/zinc/34/88/04/179348804.db2.gz YNMVGXYRNAXJRH-MRXNPFEDSA-N 2 0 267.461 2.454 10 0 CEAERP C[N@@H+]1CCC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)CC1 ZINC000086817126 179344744 /nfs/dbraw/zinc/34/47/44/179344744.db2.gz NCHMCHMZLFOUCX-OAHLLOKOSA-N 2 0 290.407 2.074 10 0 CEAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000086843368 179353070 /nfs/dbraw/zinc/35/30/70/179353070.db2.gz ZMWDOVAUVBXIQG-MRXNPFEDSA-N 3 0 267.461 2.182 10 0 CEAERP CC[N@@H+]1CCC[C@@H](N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000086840627 179353371 /nfs/dbraw/zinc/35/33/71/179353371.db2.gz OVBZJASENFLZCV-CVEARBPZSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](NC[C@@H]2CC[NH+](CC)C2)CC1 ZINC000086840780 179353380 /nfs/dbraw/zinc/35/33/80/179353380.db2.gz JNPDNQCTZNAWFP-JKSUJKDBSA-N 2 0 267.461 2.182 10 0 CEAERP CCC[N@@H+]1CCC[C@@H](N2CCCC[C@@H]2C[NH3+])CC1 ZINC000086850882 179358180 /nfs/dbraw/zinc/35/81/80/179358180.db2.gz IWSINFQXJANTQP-HUUCEWRRSA-N 2 0 253.434 2.064 10 0 CEAERP CCC[N@@H+]1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851231 179358921 /nfs/dbraw/zinc/35/89/21/179358921.db2.gz MCJBUEUKVGVBKM-MRXNPFEDSA-N 3 0 267.461 2.312 10 0 CEAERP CC[N@@H+]1CCC[C@H](N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000086850978 179359119 /nfs/dbraw/zinc/35/91/19/179359119.db2.gz DUCWETWMCCNXJL-YESZJQIVSA-N 2 0 279.472 2.467 10 0 CEAERP C1C[NH2+][C@H]([C@H]2CCC[N@@H+]([C@@H]3CCCOCC3)C2)C1 ZINC000086876807 179365244 /nfs/dbraw/zinc/36/52/44/179365244.db2.gz RZEWNOUJWJJPTC-ZNMIVQPWSA-N 2 0 252.402 2.020 10 0 CEAERP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC000086876849 179365689 /nfs/dbraw/zinc/36/56/89/179365689.db2.gz RYOGFEDRUGMTFH-LSDHHAIUSA-N 2 0 254.418 2.266 10 0 CEAERP CC[C@H]1CCC[C@@](C[NH3+])(N(C)CC[NH+](C)C)CC1 ZINC000086913662 179367100 /nfs/dbraw/zinc/36/71/00/179367100.db2.gz DUNMDIWITASUQK-LSDHHAIUSA-N 2 0 255.450 2.168 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH2+]CC(O)(CC)CC)C1 ZINC000087014770 179379895 /nfs/dbraw/zinc/37/98/95/179379895.db2.gz KFPQUVUFJWWLDM-ZIAGYGMSSA-N 2 0 256.434 2.248 10 0 CEAERP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H](C)C2)CC1 ZINC000087049080 179388577 /nfs/dbraw/zinc/38/85/77/179388577.db2.gz WQXKYAXJADQNTK-ZBFHGGJFSA-N 2 0 268.445 2.390 10 0 CEAERP C[C@@H]1CCC[C@](O)(C[NH2+]CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000087064912 179390342 /nfs/dbraw/zinc/39/03/42/179390342.db2.gz MSXWBOSDLYYTNO-OWCLPIDISA-N 2 0 268.445 2.392 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000087459244 179429397 /nfs/dbraw/zinc/42/93/97/179429397.db2.gz AYAZCSPDFIEKRV-ZDUSSCGKSA-N 2 0 254.418 2.002 10 0 CEAERP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+])CC1 ZINC000087697675 179472446 /nfs/dbraw/zinc/47/24/46/179472446.db2.gz GWLYKLSCXXTKQJ-LSDHHAIUSA-N 2 0 297.487 2.473 10 0 CEAERP CC[N@@H+]1CCC[C@](C[NH3+])(NCc2cccs2)CC1 ZINC000087904072 179516474 /nfs/dbraw/zinc/51/64/74/179516474.db2.gz AFDXQUOBTGZIAE-AWEZNQCLSA-N 2 0 267.442 2.041 10 0 CEAERP C[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000400511187 233179602 /nfs/dbraw/zinc/17/96/02/233179602.db2.gz FNOAMRUZERRZRU-FZCLSBEQSA-N 2 0 287.451 2.095 10 0 CEAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000400355395 233176235 /nfs/dbraw/zinc/17/62/35/233176235.db2.gz OGJSLGPHCNVXEP-CWLKWCNXSA-N 2 0 287.451 2.237 10 0 CEAERP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H]1CC[NH2+]C1 ZINC000400337939 233176414 /nfs/dbraw/zinc/17/64/14/233176414.db2.gz FUNRAODCRWODHV-YPMHNXCESA-N 2 0 252.789 2.470 10 0 CEAERP C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400445060 233177421 /nfs/dbraw/zinc/17/74/21/233177421.db2.gz NLQPORCVRUGIAN-FMKPAKJESA-N 2 0 262.397 2.179 10 0 CEAERP C[C@H](C(=O)NC1CCCCC1)N(C)CC[C@@H]1CCCC[NH2+]1 ZINC000090693372 180025336 /nfs/dbraw/zinc/02/53/36/180025336.db2.gz GSVCACQFMMGFRD-CABCVRRESA-N 2 0 295.471 2.288 10 0 CEAERP O=C(C[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1)Nc1ccccc1 ZINC000090694622 180026289 /nfs/dbraw/zinc/02/62/89/180026289.db2.gz HYNVHQWSKYPJJC-MRXNPFEDSA-N 2 0 287.407 2.089 10 0 CEAERP C([C@H]1CCCCO1)[N@@H+]1CCC[C@@H]1C1CC[NH2+]CC1 ZINC000090694377 180026337 /nfs/dbraw/zinc/02/63/37/180026337.db2.gz IGPHHXDNZWBKHR-HUUCEWRRSA-N 2 0 252.402 2.020 10 0 CEAERP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CCCCC1 ZINC000104447816 186006227 /nfs/dbraw/zinc/00/62/27/186006227.db2.gz DTYRKDJYEOFHBO-AGUYFDCRSA-N 2 0 252.402 2.290 10 0 CEAERP CC[NH+]1CCC(C[NH2+]C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090892552 180054210 /nfs/dbraw/zinc/05/42/10/180054210.db2.gz XSLUOTSUVHMZHC-MRXNPFEDSA-N 2 0 292.398 2.451 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2csc([C@@H](C)[NH3+])n2)CC1 ZINC000090958533 180074517 /nfs/dbraw/zinc/07/45/17/180074517.db2.gz BRXJHBDWVLYALA-VXGBXAGGSA-N 2 0 282.457 2.079 10 0 CEAERP CC1(C[NH2+]Cc2csc(CC[NH3+])n2)CCCC1 ZINC000090958689 180074650 /nfs/dbraw/zinc/07/46/50/180074650.db2.gz DFNZGUBCOPZBAA-UHFFFAOYSA-N 2 0 253.415 2.314 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(Cc2csc([C@H](C)[NH3+])n2)CC1 ZINC000090958535 180075206 /nfs/dbraw/zinc/07/52/06/180075206.db2.gz BRXJHBDWVLYALA-NEPJUHHUSA-N 2 0 282.457 2.079 10 0 CEAERP CC[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](C[NH3+])C2)C[C@H](CC)O1 ZINC000675054797 539761728 /nfs/dbraw/zinc/76/17/28/539761728.db2.gz ZIDXHCGQMPQVFR-TUVASFSCSA-N 2 0 254.418 2.393 10 0 CEAERP CCC[C@@H]1CCC[N@H+](CC[C@@H]2C[NH2+]CCO2)CC1 ZINC000091314285 180133773 /nfs/dbraw/zinc/13/37/73/180133773.db2.gz MBYIKUUFUINTOI-HUUCEWRRSA-N 2 0 254.418 2.267 10 0 CEAERP CC(C)(C)C1CCN([C@H](C[NH3+])CC(=O)N2CCCC2)CC1 ZINC000091323502 180134514 /nfs/dbraw/zinc/13/45/14/180134514.db2.gz RMZCVJCUCJBPHV-HNNXBMFYSA-N 2 0 295.471 2.084 10 0 CEAERP CCC[NH+]1CCN(C[C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000091362112 180141815 /nfs/dbraw/zinc/14/18/15/180141815.db2.gz FYFCHZSCLDYPHA-ULQDDVLXSA-N 2 0 279.472 2.325 10 0 CEAERP CCCc1nc(N2CCC[C@H]([NH+](C)C)C2)sc1C[NH3+] ZINC000091428551 180152889 /nfs/dbraw/zinc/15/28/89/180152889.db2.gz RVWGQDAKNACXLZ-NSHDSACASA-N 2 0 282.457 2.085 10 0 CEAERP CCCCC[NH2+]C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091433244 180154697 /nfs/dbraw/zinc/15/46/97/180154697.db2.gz NMSJWWRURWKKJR-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP CSC1(C[NH3+])CC[NH+](CCc2ccccc2)CC1 ZINC000091472984 180165206 /nfs/dbraw/zinc/16/52/06/180165206.db2.gz VFTALULCCAWOHW-UHFFFAOYSA-N 2 0 264.438 2.385 10 0 CEAERP CO[C@H]1CCC[C@H]([NH+]2CCC(C[NH3+])(SC)CC2)C1 ZINC000091474100 180165453 /nfs/dbraw/zinc/16/54/53/180165453.db2.gz ATWXCAMMMSELRL-STQMWFEESA-N 2 0 272.458 2.100 10 0 CEAERP C[N@@H+](Cc1ccc2ncccc2c1)CC1CC([NH3+])C1 ZINC000091473117 180165511 /nfs/dbraw/zinc/16/55/11/180165511.db2.gz QQTGLSHVIFRYSX-UHFFFAOYSA-N 2 0 255.365 2.404 10 0 CEAERP CCc1ccc([C@H]([NH3+])CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000091393933 180145766 /nfs/dbraw/zinc/14/57/66/180145766.db2.gz MXASCUYCAFSSBH-DLBZAZTESA-N 2 0 275.440 2.275 10 0 CEAERP CCC[NH2+][C@@H](C)C(C)(C)CN(C)[C@@H]1CCC[N@H+](C)C1 ZINC000091404609 180147234 /nfs/dbraw/zinc/14/72/34/180147234.db2.gz KRRZZQQVMCAAHJ-LSDHHAIUSA-N 2 0 269.477 2.427 10 0 CEAERP CC[NH2+][C@@H](C)C(C)(C)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000091404962 180147252 /nfs/dbraw/zinc/14/72/52/180147252.db2.gz WCOUEYKLTQJNFF-GJZGRUSLSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH2+][C@H](C)C(C)(C)CN(C)C1CC[NH+](C)CC1 ZINC000091402619 180147380 /nfs/dbraw/zinc/14/73/80/180147380.db2.gz GDPQNNMOHHRMMR-CQSZACIVSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[C@](C)(C[NH2+]CC)CN1CCC[C@H]([NH+](C)C)C1 ZINC000091427801 180152025 /nfs/dbraw/zinc/15/20/25/180152025.db2.gz FELPLFFQWLWODA-JKSUJKDBSA-N 2 0 269.477 2.428 10 0 CEAERP CC[NH2+][C@@H]([C@@H]1CCOC1)C(C)(C)[NH+]1CCCCC1 ZINC000091565064 180193245 /nfs/dbraw/zinc/19/32/45/180193245.db2.gz JJGBKAJBVMOMBW-KGLIPLIRSA-N 2 0 254.418 2.266 10 0 CEAERP CCC[NH2+][C@H]([C@H]1CCOC1)C(C)(C)[NH+]1CCCC1 ZINC000091536114 180182335 /nfs/dbraw/zinc/18/23/35/180182335.db2.gz ALJMSAAYYQOPRA-UONOGXRCSA-N 2 0 254.418 2.266 10 0 CEAERP CCC(CC)([C@@H](Cc1ccnc(N)c1)[NH2+]C)[NH+]1CCCC1 ZINC000091635076 180210983 /nfs/dbraw/zinc/21/09/83/180210983.db2.gz FBFIEMZLLWOIPS-OAHLLOKOSA-N 2 0 290.455 2.449 10 0 CEAERP C[NH2+][C@H](CC[C@H]1CCCO1)C1([NH+](C)C)CCCC1 ZINC000091637658 180212058 /nfs/dbraw/zinc/21/20/58/180212058.db2.gz UVPMWZLEDWHDOQ-ZIAGYGMSSA-N 2 0 254.418 2.408 10 0 CEAERP CCC[N@H+](C1CCC([NH3+])CC1)C1CCN(C)CC1 ZINC000091851620 180272654 /nfs/dbraw/zinc/27/26/54/180272654.db2.gz BUWRKQBKVVQCHK-UHFFFAOYSA-N 2 0 253.434 2.063 10 0 CEAERP CCC[N@H+](CC(=O)NC(CC)CC)C1CCC([NH3+])CC1 ZINC000091852469 180273067 /nfs/dbraw/zinc/27/30/67/180273067.db2.gz YGPBOFYCGVHPMF-UHFFFAOYSA-N 2 0 283.460 2.273 10 0 CEAERP Cc1nn(C)c(C)c1[C@H](C)[N@H+](C)C1CCC([NH3+])CC1 ZINC000091843991 180269045 /nfs/dbraw/zinc/26/90/45/180269045.db2.gz HLAUBBTYEVOUHD-XGNXJENSSA-N 2 0 264.417 2.300 10 0 CEAERP CC[N@H+](C1CCC([NH3+])CC1)[C@@H]1CCC[NH+](CC)CC1 ZINC000091849982 180271730 /nfs/dbraw/zinc/27/17/30/180271730.db2.gz OYXKDHFWOKOTIM-HWOWSKLDSA-N 3 0 267.461 2.453 10 0 CEAERP C[NH2+]C1CCC([N@H+](C)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000091870956 180277355 /nfs/dbraw/zinc/27/73/55/180277355.db2.gz WVWAPYOSSBPART-JXQTWKCFSA-N 2 0 254.418 2.406 10 0 CEAERP CCC[N@@H+]1CCC[C@](O)(C2(C[NH3+])CCCC2)CC1 ZINC000091922611 180286881 /nfs/dbraw/zinc/28/68/81/180286881.db2.gz LZTSMFSLQXVEDC-OAHLLOKOSA-N 2 0 254.418 2.133 10 0 CEAERP CCC[NH2+]CCCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003637 180304393 /nfs/dbraw/zinc/30/43/93/180304393.db2.gz KMXCIDPLKODTED-CVEARBPZSA-N 2 0 267.461 2.325 10 0 CEAERP CC[NH+](CC)Cc1ccccc1NC(=O)[C@H](C)C[NH2+]C ZINC000092133734 180330927 /nfs/dbraw/zinc/33/09/27/180330927.db2.gz XNYHVWLJKHIKJP-CYBMUJFWSA-N 2 0 277.412 2.322 10 0 CEAERP C[NH2+]Cc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000092089195 180321215 /nfs/dbraw/zinc/32/12/15/180321215.db2.gz GLXZSNMSQHBPTI-OKILXGFUSA-N 2 0 262.397 2.373 10 0 CEAERP C[C@H]1C[N@H+](C[C@]2(C[NH2+]C(C)(C)C)CCOC2)C[C@H]1C ZINC000092088342 180321307 /nfs/dbraw/zinc/32/13/07/180321307.db2.gz ZHJUYHWGWMDYSS-IJEWVQPXSA-N 2 0 268.445 2.369 10 0 CEAERP CCC[NH2+][C@](C)(CO)C[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092090266 180322600 /nfs/dbraw/zinc/32/26/00/180322600.db2.gz UBGRKYFYKITKBL-BARDWOONSA-N 2 0 256.434 2.103 10 0 CEAERP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2Cc3ccccc3S2)C1 ZINC000092267758 180355700 /nfs/dbraw/zinc/35/57/00/180355700.db2.gz AMSMMZGRYKQSSI-OCCSQVGLSA-N 2 0 262.422 2.245 10 0 CEAERP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1C[C@@H]1COc2ccccc21 ZINC000092302581 180359162 /nfs/dbraw/zinc/35/91/62/180359162.db2.gz XTYRNXDYCSAFDK-MGPQQGTHSA-N 2 0 260.381 2.222 10 0 CEAERP CC[C@H]([C@@H]([NH3+])c1ccccc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092627170 180419112 /nfs/dbraw/zinc/41/91/12/180419112.db2.gz SFQJPOKCECOFHA-BBWFWOEESA-N 2 0 275.440 2.491 10 0 CEAERP CC[NH2+]Cc1ccccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092633151 180423137 /nfs/dbraw/zinc/42/31/37/180423137.db2.gz JLKPEOTVWAZZBV-HNNXBMFYSA-N 2 0 261.413 2.327 10 0 CEAERP C[C@@H](C[NH2+]C(C)(C)C)CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000092633986 180423531 /nfs/dbraw/zinc/42/35/31/180423531.db2.gz XLEKDJXKYYGAEV-KBPBESRZSA-N 2 0 255.450 2.037 10 0 CEAERP CCOC(=O)C1CC[NH+]([C@H]2C[C@H](C)CC[C@@H]2C[NH3+])CC1 ZINC000109603648 186266304 /nfs/dbraw/zinc/26/63/04/186266304.db2.gz IDBJRDZZUWWQAJ-YUELXQCFSA-N 2 0 282.428 2.025 10 0 CEAERP COC(=O)CC[N@H+](C)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000109685363 186269245 /nfs/dbraw/zinc/26/92/45/186269245.db2.gz CVFYAUJBUCQPFN-HZSPNIEDSA-N 2 0 284.444 2.271 10 0 CEAERP [NH2+]=C(NC1CCCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000110368911 186294732 /nfs/dbraw/zinc/29/47/32/186294732.db2.gz YUWHQSAEYPVSID-CQSZACIVSA-N 2 0 264.417 2.014 10 0 CEAERP CC(C)[NH+]1CCC(C[NH3+])(N(C)CC2CCCC2)CC1 ZINC000110834354 186328679 /nfs/dbraw/zinc/32/86/79/186328679.db2.gz YHYWSLUPJXUBCE-UHFFFAOYSA-N 2 0 267.461 2.310 10 0 CEAERP C[C@H]([NH3+])[C@H](c1ccccc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000110704885 186313843 /nfs/dbraw/zinc/31/38/43/186313843.db2.gz HEQGVQNTZNOXFU-DZGCQCFKSA-N 2 0 261.413 2.101 10 0 CEAERP CC[C@@H]1CN([C@@H](C[NH3+])c2cccc(C)c2C)CC[N@@H+]1C ZINC000110710350 186315244 /nfs/dbraw/zinc/31/52/44/186315244.db2.gz XHMAAWSTGSBXQB-WBVHZDCISA-N 2 0 275.440 2.329 10 0 CEAERP C[NH2+][C@H](c1ccccc1)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110717138 186315874 /nfs/dbraw/zinc/31/58/74/186315874.db2.gz IMFONBICKLPSAG-HOCLYGCPSA-N 2 0 275.440 2.362 10 0 CEAERP CCCCC[NH2+]C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000110757942 186320350 /nfs/dbraw/zinc/32/03/50/186320350.db2.gz FZJBOIYNFNXNPH-CQSZACIVSA-N 2 0 255.450 2.181 10 0 CEAERP CC(C)[NH2+]CCC[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110754710 186321738 /nfs/dbraw/zinc/32/17/38/186321738.db2.gz KBOMYKPBSHUQMK-CQSZACIVSA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@H]1CN(c2nc(C)c(C[NH2+]C(C)C)s2)CC[N@@H+]1C ZINC000110760269 186322382 /nfs/dbraw/zinc/32/23/82/186322382.db2.gz OJUMBEKOLHVIIP-ZDUSSCGKSA-N 2 0 296.484 2.480 10 0 CEAERP C[C@@H]([NH3+])c1ccc(NC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000110770464 186322434 /nfs/dbraw/zinc/32/24/34/186322434.db2.gz PGJFDFHRTWVKSJ-GFCCVEGCSA-N 2 0 290.411 2.264 10 0 CEAERP CN(CCC[NH+](C)C)Cc1csc(C[NH2+]C(C)(C)C)n1 ZINC000111150394 186360870 /nfs/dbraw/zinc/36/08/70/186360870.db2.gz MPSRQBYZJGKYEI-UHFFFAOYSA-N 2 0 298.500 2.415 10 0 CEAERP CCOCC[N@H+](CC)Cc1cc(C[NH3+])ccc1F ZINC000111117110 186355338 /nfs/dbraw/zinc/35/53/38/186355338.db2.gz PMQOBBFOIKUWIU-UHFFFAOYSA-N 2 0 254.349 2.143 10 0 CEAERP CN(CCC[NH+](C)C)c1c(C[NH3+])cnc2ccccc21 ZINC000111129274 186356043 /nfs/dbraw/zinc/35/60/43/186356043.db2.gz OMMPJOPBPAVSTI-UHFFFAOYSA-N 2 0 272.396 2.081 10 0 CEAERP CN(CC[NH+](C)C)[C@@H](C[NH3+])c1cccc2ccccc21 ZINC000111132867 186356357 /nfs/dbraw/zinc/35/63/57/186356357.db2.gz NVYFIRMJMIQOMH-KRWDZBQOSA-N 2 0 271.408 2.333 10 0 CEAERP C[NH2+][C@H](CN(C)CC[NH+](C)C)c1cc2ccccc2o1 ZINC000111135269 186356908 /nfs/dbraw/zinc/35/69/08/186356908.db2.gz UOKMGGNULRKTCN-CQSZACIVSA-N 2 0 275.396 2.187 10 0 CEAERP CN(CCC[NH+](C)C)[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000111136010 186358070 /nfs/dbraw/zinc/35/80/70/186358070.db2.gz GVDDXKUYXLBXCZ-IRXDYDNUSA-N 2 0 275.440 2.275 10 0 CEAERP CC(C)C[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000111175114 186364964 /nfs/dbraw/zinc/36/49/64/186364964.db2.gz FFYVCFINDDJRBM-GJZGRUSLSA-N 2 0 256.434 2.227 10 0 CEAERP C[NH2+]CC1(C[N@H+](C)CC2CCOCC2)CCCC1 ZINC000111172933 186364989 /nfs/dbraw/zinc/36/49/89/186364989.db2.gz ZFCLJNZZQQTFRU-UHFFFAOYSA-N 2 0 254.418 2.125 10 0 CEAERP CC(C)[NH2+]CC1(C[N@H+](C)CC2CCOCC2)CCOCC1 ZINC000111172929 186365125 /nfs/dbraw/zinc/36/51/25/186365125.db2.gz ZOYKYPASGURROD-UHFFFAOYSA-N 2 0 298.471 2.140 10 0 CEAERP COCC[N@H+](C[C@@]1(C[NH2+]C(C)(C)C)CCCOC1)C1CC1 ZINC000111327273 186398207 /nfs/dbraw/zinc/39/82/07/186398207.db2.gz KCIFTSBCGRSQLR-KRWDZBQOSA-N 2 0 298.471 2.282 10 0 CEAERP CCOC1CC[NH+](C[C@]2(C[NH2+]C(C)C)CCCOC2)CC1 ZINC000111326117 186398229 /nfs/dbraw/zinc/39/82/29/186398229.db2.gz UBGMJMSCBVMNKM-QGZVFWFLSA-N 2 0 298.471 2.282 10 0 CEAERP C[N@H+](CC1CCCCC1)C[C@@]1(C[NH3+])CCCOC1 ZINC000111328410 186399397 /nfs/dbraw/zinc/39/93/97/186399397.db2.gz IFZONKTXDZPONO-HNNXBMFYSA-N 2 0 254.418 2.254 10 0 CEAERP C[NH2+]C[C@@]1(C[N@H+](CC(C)C)C(C)C)CCCOC1 ZINC000111328235 186399756 /nfs/dbraw/zinc/39/97/56/186399756.db2.gz OGCUBXOJZZUTIU-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP CC[NH2+]Cc1cnc2c(cnn2C2CC[NH+](CC)CC2)c1 ZINC000111339580 186401690 /nfs/dbraw/zinc/40/16/90/186401690.db2.gz KCDXMIBCVQAHLS-UHFFFAOYSA-N 2 0 287.411 2.198 10 0 CEAERP CC[NH2+][C@@H](C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000111708841 186449233 /nfs/dbraw/zinc/44/92/33/186449233.db2.gz WCFXVEFXYQUHOY-WMLDXEAASA-N 2 0 276.424 2.430 10 0 CEAERP [NH3+]C[C@@H]1CCOC12CC[NH+](Cc1ccccc1)CC2 ZINC000675080113 540120053 /nfs/dbraw/zinc/12/00/53/540120053.db2.gz LJWPQCWZFAZUQH-HNNXBMFYSA-N 2 0 260.381 2.016 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575440154 366287115 /nfs/dbraw/zinc/28/71/15/366287115.db2.gz LCNLFRRWOZLKKG-JTQLQIEISA-N 2 0 261.138 2.327 10 0 CEAERP Cc1ccc([C@H]([NH3+])CCC[NH3+])cc1Br ZINC000575439380 366287355 /nfs/dbraw/zinc/28/73/55/366287355.db2.gz HWHUUXVZKXBXCG-LLVKDONJSA-N 2 0 257.175 2.496 10 0 CEAERP Cc1ccc([C@@H]([NH3+])CCC[NH3+])cc1Br ZINC000575440038 366287852 /nfs/dbraw/zinc/28/78/52/366287852.db2.gz HWHUUXVZKXBXCG-NSHDSACASA-N 2 0 257.175 2.496 10 0 CEAERP [NH3+]CCC[C@H]([NH3+])c1c(F)cc(Br)cc1F ZINC000575439239 366287867 /nfs/dbraw/zinc/28/78/67/366287867.db2.gz RIGVUBKAASOCSA-VIFPVBQESA-N 2 0 279.128 2.466 10 0 CEAERP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400392060 299291020 /nfs/dbraw/zinc/29/10/20/299291020.db2.gz IMIRZMMIJHLIIG-UONOGXRCSA-N 2 0 299.459 2.173 10 0 CEAERP COCC[NH+]1CCC(CNc2cc[nH+]c(C)c2)CC1 ZINC000302208946 201397319 /nfs/dbraw/zinc/39/73/19/201397319.db2.gz BNWFHSKGQAOXFL-UHFFFAOYSA-N 2 0 263.385 2.160 10 0 CEAERP OCC[C@@H]([NH2+]C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095078797 364334391 /nfs/dbraw/zinc/33/43/91/364334391.db2.gz OZUTYNJENZEIRC-FUHWJXTLSA-N 2 0 288.435 2.402 10 0 CEAERP CCC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[NH+](C)C ZINC000162312631 367151420 /nfs/dbraw/zinc/15/14/20/367151420.db2.gz BSBJZSGRWDWATN-HOTGVXAUSA-N 2 0 295.471 2.051 10 0 CEAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000185359346 368795970 /nfs/dbraw/zinc/79/59/70/368795970.db2.gz ONDQYKAYBCKONV-HNNXBMFYSA-N 2 0 295.471 2.228 10 0 CEAERP C[C@@H]1C[NH+](CCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000246838736 371018605 /nfs/dbraw/zinc/01/86/05/371018605.db2.gz CHENLEJJGDJIBT-HMQPTBHHSA-N 2 0 298.471 2.375 10 0 CEAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000236990296 189857324 /nfs/dbraw/zinc/85/73/24/189857324.db2.gz HDOYFYMTMSSJSO-CABCVRRESA-N 2 0 283.460 2.132 10 0 CEAERP O[C@@H](C[NH2+]C(C1CCC1)C1CCC1)C[NH+]1CCCCC1 ZINC000325063340 376841976 /nfs/dbraw/zinc/84/19/76/376841976.db2.gz XZUQIDPPYZPPGU-INIZCTEOSA-N 2 0 280.456 2.392 10 0 CEAERP C[C@@H]1C[C@@H](C)C[NH+](CCC[C@@](C)(CO)[NH2+]C2CC2)C1 ZINC000085217197 184605899 /nfs/dbraw/zinc/60/58/99/184605899.db2.gz HVWXYGQIXAUDQG-FMKPAKJESA-N 2 0 268.445 2.248 10 0 CEAERP CC[N@@H+]1CCC[C@@H]1CN(C)CC1(C[NH3+])CCCCC1 ZINC000092671896 184620074 /nfs/dbraw/zinc/62/00/74/184620074.db2.gz AQFXNDRWVUPFNS-OAHLLOKOSA-N 2 0 267.461 2.312 10 0 CEAERP CC[C@H]1CC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000080466590 177655930 /nfs/dbraw/zinc/65/59/30/177655930.db2.gz YWUBUPVOJHXJHK-ULQDDVLXSA-N 2 0 279.472 2.454 10 0 CEAERP c1nc(CC[NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000093678233 184704996 /nfs/dbraw/zinc/70/49/96/184704996.db2.gz RBUBWBBPHVFXKR-YHWZYXNKSA-N 2 0 265.426 2.196 10 0 CEAERP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C1(C[NH3+])CCCCC1 ZINC000094445735 184801990 /nfs/dbraw/zinc/80/19/90/184801990.db2.gz PBZSBMMHIHALFD-LSDHHAIUSA-N 2 0 265.445 2.207 10 0 CEAERP C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094459794 184804444 /nfs/dbraw/zinc/80/44/44/184804444.db2.gz WEXLAFBHRJDSGC-NXHRZFHOSA-N 2 0 287.451 2.424 10 0 CEAERP C[C@H](Cc1c(F)cccc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000094010258 184749943 /nfs/dbraw/zinc/74/99/43/184749943.db2.gz NYKAUODGHMONMO-LLVKDONJSA-N 2 0 268.351 2.485 10 0 CEAERP CC[N@@H+](Cc1ccc2c(c1)OCCO2)CC1CC[NH2+]CC1 ZINC000094011455 184750244 /nfs/dbraw/zinc/75/02/44/184750244.db2.gz HEQXKAPHBFYDIO-UHFFFAOYSA-N 2 0 290.407 2.279 10 0 CEAERP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](CCC)CC1CC[NH2+]CC1 ZINC000094025513 184750741 /nfs/dbraw/zinc/75/07/41/184750741.db2.gz ZEIUPJDUFKMFPH-GJZGRUSLSA-N 2 0 297.487 2.391 10 0 CEAERP CC[N@H+](C[C@@H](O)c1ccccc1)CC1CC[NH2+]CC1 ZINC000094025207 184751194 /nfs/dbraw/zinc/75/11/94/184751194.db2.gz DSJCJMSYNBHTMI-MRXNPFEDSA-N 2 0 262.397 2.042 10 0 CEAERP CC(C)Oc1ncccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000094088224 184754323 /nfs/dbraw/zinc/75/43/23/184754323.db2.gz KZLFGLKTHGOHSX-UHFFFAOYSA-N 2 0 263.385 2.228 10 0 CEAERP C[NH2+][C@@H]1[C@H](CN2CCC[C@H]([NH+](C)C)C2)CCCC1(C)C ZINC000094288934 184776282 /nfs/dbraw/zinc/77/62/82/184776282.db2.gz LENUCWXQIXUIAL-HRCADAONSA-N 2 0 281.488 2.427 10 0 CEAERP CC[NH2+][C@@H]1[C@H](N2CCC[C@H]([NH+](C)C)C2)CCC1(C)C ZINC000094306706 184778443 /nfs/dbraw/zinc/77/84/43/184778443.db2.gz UWEMSDIUKDHDND-RRFJBIMHSA-N 2 0 267.461 2.179 10 0 CEAERP CC[NH2+]CC1CC[NH+]([C@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094413719 184794711 /nfs/dbraw/zinc/79/47/11/184794711.db2.gz QDMMBOROWIMABL-JKSUJKDBSA-N 2 0 298.496 2.363 10 0 CEAERP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000094751094 184852986 /nfs/dbraw/zinc/85/29/86/184852986.db2.gz GAQRYHHOMIEUIB-LSDHHAIUSA-N 2 0 295.471 2.273 10 0 CEAERP C[N@@H+](Cc1nc2cc(N)ccc2o1)CC1CC[NH+](C)CC1 ZINC000094494926 184810156 /nfs/dbraw/zinc/81/01/56/184810156.db2.gz GICYGIHPTQFFMG-UHFFFAOYSA-N 2 0 288.395 2.184 10 0 CEAERP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000177245201 533413681 /nfs/dbraw/zinc/41/36/81/533413681.db2.gz RKNWJLZFHIFFMT-GDBMZVCRSA-N 2 0 268.445 2.392 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cc(CO)[nH+]c3ccccc32)C1 ZINC000091392680 135068458 /nfs/dbraw/zinc/06/84/58/135068458.db2.gz CLUVWCZCOCIYJN-AWEZNQCLSA-N 2 0 285.391 2.258 10 0 CEAERP C[NH+](C)[C@@H]1CCCN(c2cccc(Cl)c2C(N)=[NH2+])C1 ZINC000091394740 135068876 /nfs/dbraw/zinc/06/88/76/135068876.db2.gz CODSVUDUTVVWTL-SNVBAGLBSA-N 2 0 280.803 2.154 10 0 CEAERP Cc1cccc(N2CC[NH+](CC(C)(C)[C@@H](C)[NH3+])CC2)c1 ZINC000091402348 135068957 /nfs/dbraw/zinc/06/89/57/135068957.db2.gz IYLITSBSJPKOJG-OAHLLOKOSA-N 2 0 275.440 2.490 10 0 CEAERP C[NH+](C)[C@H]1CCCN(c2cccc(Cl)c2C(N)=[NH2+])C1 ZINC000091394741 135069009 /nfs/dbraw/zinc/06/90/09/135069009.db2.gz CODSVUDUTVVWTL-JTQLQIEISA-N 2 0 280.803 2.154 10 0 CEAERP [NH3+][C@H]1CC[C@@H]([NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000093224239 135079748 /nfs/dbraw/zinc/07/97/48/135079748.db2.gz KGAGJHPHXVMYLS-DZGCQCFKSA-N 2 0 279.815 2.342 10 0 CEAERP CC[NH2+]Cc1ccccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439956 135087689 /nfs/dbraw/zinc/08/76/89/135087689.db2.gz KKFOKZUDTHWCLW-MRXNPFEDSA-N 2 0 273.424 2.471 10 0 CEAERP NC(=[NH2+])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1Cl ZINC000094439615 135087910 /nfs/dbraw/zinc/08/79/10/135087910.db2.gz GVXNLGLOKGTZOA-GFCCVEGCSA-N 2 0 292.814 2.299 10 0 CEAERP Brc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1 ZINC000258922971 394599178 /nfs/dbraw/zinc/59/91/78/394599178.db2.gz OPEXVKOWAQEQBK-NSHDSACASA-N 2 0 269.186 2.148 10 0 CEAERP [NH3+][C@@H]1CC[C@H]2CN(c3cc[nH+]c4ccccc43)C[C@@H]12 ZINC000261629281 394604786 /nfs/dbraw/zinc/60/47/86/394604786.db2.gz VRYBZPCZSAEOJO-IACUBPJLSA-N 2 0 253.349 2.408 10 0 CEAERP C[C@H]([NH2+]CCOCC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000574069934 395625937 /nfs/dbraw/zinc/62/59/37/395625937.db2.gz DQJRKSAIJYVTKS-DZGCQCFKSA-N 2 0 254.418 2.171 10 0 CEAERP C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000575372939 395661272 /nfs/dbraw/zinc/66/12/72/395661272.db2.gz JSZSJVZGSFKTNQ-GXTWGEPZSA-N 2 0 250.361 2.346 10 0 CEAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C1(C)C ZINC000261561861 286389060 /nfs/dbraw/zinc/38/90/60/286389060.db2.gz GCBDUZIRPHEOIE-ZOBORPQBSA-N 2 0 254.418 2.297 10 0 CEAERP Cc1ccccc1-c1cccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000263193491 154032153 /nfs/dbraw/zinc/03/21/53/154032153.db2.gz IDORJEWCIYWQGS-HKUYNNGSSA-N 2 0 296.414 2.332 10 0 CEAERP C[C@@H](NCCC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000400449725 287023500 /nfs/dbraw/zinc/02/35/00/287023500.db2.gz OKLAYQCNADKQFT-HUUCEWRRSA-N 2 0 267.461 2.229 10 0 CEAERP NC(=[NH2+])c1ccc(CCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013862606 170605600 /nfs/dbraw/zinc/60/56/00/170605600.db2.gz JOWNWLCPLPEGAR-UHFFFAOYSA-N 2 0 266.348 2.040 10 0 CEAERP CCN(CC)C1(C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000019509630 170820032 /nfs/dbraw/zinc/82/00/32/170820032.db2.gz SIFMIYSIIVDTOG-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000020315973 171146122 /nfs/dbraw/zinc/14/61/22/171146122.db2.gz SXUJFCDQJPAQIL-CABCVRRESA-N 2 0 285.476 2.247 10 0 CEAERP Cc1cccc(OC[C@@H](CC[NH3+])[NH+]2CCCC2)c1C ZINC000020402079 171182242 /nfs/dbraw/zinc/18/22/42/171182242.db2.gz IFDOFUYIZYQGDW-OAHLLOKOSA-N 2 0 262.397 2.495 10 0 CEAERP [NH3+]CC[C@H](COc1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000020402165 171182367 /nfs/dbraw/zinc/18/23/67/171182367.db2.gz XWPKZQNIDSMEKT-LLVKDONJSA-N 2 0 270.323 2.157 10 0 CEAERP CC[NH+](CC)CCOc1ccc([C@@H](C)[NH3+])cc1OC ZINC000022170241 171367601 /nfs/dbraw/zinc/36/76/01/171367601.db2.gz NFQPVHXVOZEICB-GFCCVEGCSA-N 2 0 266.385 2.436 10 0 CEAERP CC[N@@H+]1CCC[C@H]([C@@H](C)NCCC[NH+]2CCCC2)C1 ZINC000037220931 173039429 /nfs/dbraw/zinc/03/94/29/173039429.db2.gz UFJDXRYPPVBFDC-CVEARBPZSA-N 2 0 267.461 2.182 10 0 CEAERP C[NH2+]Cc1nc2cc(Cl)ccc2n1CCC[NH+](C)C ZINC000040404363 174253693 /nfs/dbraw/zinc/25/36/93/174253693.db2.gz JLHMMLFVRGIWQG-UHFFFAOYSA-N 2 0 280.803 2.361 10 0 CEAERP CCN1CCC[C@H]([NH2+][C@H](C)C2CC[NH+](CC)CC2)C1 ZINC000040502625 174299088 /nfs/dbraw/zinc/29/90/88/174299088.db2.gz BXBIIJNMQPNCCI-ZBFHGGJFSA-N 2 0 267.461 2.181 10 0 CEAERP CCC[NH+]1CCC([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000040672699 174370963 /nfs/dbraw/zinc/37/09/63/174370963.db2.gz ZTKSVXOGDTWRAN-GDBMZVCRSA-N 2 0 267.461 2.181 10 0 CEAERP C[N@H+](CCC(=O)NC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747004 174392842 /nfs/dbraw/zinc/39/28/42/174392842.db2.gz PNWTYFBLHFWNJG-XYPWUTKMSA-N 2 0 293.455 2.040 10 0 CEAERP C[C@H](c1ccc2c(c1)OCCO2)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040748964 174394037 /nfs/dbraw/zinc/39/40/37/174394037.db2.gz WEDZDVFPJFVZOR-JZIBPQBNSA-N 2 0 288.391 2.473 10 0 CEAERP CCOc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750176 174394877 /nfs/dbraw/zinc/39/48/77/174394877.db2.gz BEBTZJZJIVYBMI-GOOCMWNKSA-N 2 0 290.407 2.418 10 0 CEAERP Cc1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040750135 174395040 /nfs/dbraw/zinc/39/50/40/174395040.db2.gz LUYPFXVIKDONDO-GOOCMWNKSA-N 2 0 260.381 2.328 10 0 CEAERP CC(C)[C@@](C)(C[NH3+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000041156321 174500790 /nfs/dbraw/zinc/50/07/90/174500790.db2.gz XQHMIMWTZNKMER-QGZVFWFLSA-N 2 0 275.440 2.178 10 0 CEAERP CC[NH+]1CCC(C[NH3+])(N(Cc2ccco2)C2CC2)CC1 ZINC000042692856 174840607 /nfs/dbraw/zinc/84/06/07/174840607.db2.gz GPFZBIWASZVVNS-UHFFFAOYSA-N 2 0 277.412 2.057 10 0 CEAERP COc1ccccc1[C@H]([C@@H](C)[NH3+])N1CCC([NH+](C)C)CC1 ZINC000043097589 174965833 /nfs/dbraw/zinc/96/58/33/174965833.db2.gz JJQDQUZBQBRHDV-DYVFJYSZSA-N 2 0 291.439 2.110 10 0 CEAERP Cc1cccc([C@@H](C[NH3+])N(C)C2CC[NH+](C)CC2)c1C ZINC000043314441 175004001 /nfs/dbraw/zinc/00/40/01/175004001.db2.gz WCWMFOCYJQDDPG-QGZVFWFLSA-N 2 0 275.440 2.329 10 0 CEAERP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000043324919 175006898 /nfs/dbraw/zinc/00/68/98/175006898.db2.gz OIDVDUPVWWVPLT-KRWDZBQOSA-N 2 0 275.440 2.370 10 0 CEAERP CC[C@H]([NH3+])[C@H](c1cccnc1)N(CC[NH+](C)C)CC(C)C ZINC000043348617 175018770 /nfs/dbraw/zinc/01/87/70/175018770.db2.gz JKIAMMUQVODGAQ-IRXDYDNUSA-N 2 0 292.471 2.380 10 0 CEAERP Cc1ccc([C@@H]([C@H](C)[NH3+])N2CC[NH+](C(C)C)CC2)o1 ZINC000043364366 175024720 /nfs/dbraw/zinc/02/47/20/175024720.db2.gz IAHSRWDGADCDGV-DZGCQCFKSA-N 2 0 265.401 2.002 10 0 CEAERP Cc1ccc([C@H]([C@@H](C)[NH3+])N2CC[NH+](C(C)C)CC2)o1 ZINC000043364365 175024818 /nfs/dbraw/zinc/02/48/18/175024818.db2.gz IAHSRWDGADCDGV-HIFRSBDPSA-N 2 0 265.401 2.002 10 0 CEAERP CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N1CC[NH+](C(C)C)CC1 ZINC000043364368 175025035 /nfs/dbraw/zinc/02/50/35/175025035.db2.gz ZGKUKRYMEZXFAU-HOCLYGCPSA-N 2 0 279.428 2.392 10 0 CEAERP CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N1CC[NH+](C)CC1 ZINC000043810931 175110170 /nfs/dbraw/zinc/11/01/70/175110170.db2.gz DMRQSNJSDUFAGK-DOTOQJQBSA-N 2 0 275.440 2.363 10 0 CEAERP CCC[C@H]([NH2+]C)[C@@H](CC)N(C)C1CC[NH+](C)CC1 ZINC000043815235 175111894 /nfs/dbraw/zinc/11/18/94/175111894.db2.gz SQHAXTGRBKDHMJ-LSDHHAIUSA-N 2 0 255.450 2.179 10 0 CEAERP C[NH2+][C@H]1CCCCCC[C@H]1N(C)C1CC[NH+](C)CC1 ZINC000043815200 175111920 /nfs/dbraw/zinc/11/19/20/175111920.db2.gz SCWLORNUSLFJRL-JKSUJKDBSA-N 2 0 267.461 2.323 10 0 CEAERP CC[NH2+][C@H]1CCCCC[C@@H]1N1CC[NH+](C2CC2)CC1 ZINC000043967680 175129143 /nfs/dbraw/zinc/12/91/43/175129143.db2.gz ZEXPHABWMASMSN-HOTGVXAUSA-N 2 0 265.445 2.077 10 0 CEAERP CCC[NH+]1CCN([C@@H](c2ccco2)[C@@H]([NH3+])CC)CC1 ZINC000044419021 175173367 /nfs/dbraw/zinc/17/33/67/175173367.db2.gz RUNSXCCPAQNDIM-DZGCQCFKSA-N 2 0 265.401 2.086 10 0 CEAERP CCC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCOC2)C[C@@H]1C ZINC000044982050 175283521 /nfs/dbraw/zinc/28/35/21/175283521.db2.gz YKLSMQGZZOLZTI-KKUMJFAQSA-N 2 0 254.418 2.123 10 0 CEAERP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c1C ZINC000045171420 175320931 /nfs/dbraw/zinc/32/09/31/175320931.db2.gz HDNZNXUBUOVSEB-FZMZJTMJSA-N 2 0 264.417 2.122 10 0 CEAERP CCOCC[N@H+](CC)C[C@H](C[NH3+])c1ccccc1 ZINC000070943297 176015836 /nfs/dbraw/zinc/01/58/36/176015836.db2.gz UMEUOVLAXZRTNX-HNNXBMFYSA-N 2 0 250.386 2.087 10 0 CEAERP CC[C@@H]1CCCC[C@@]1(C[NH3+])N1CC[NH+](C2CC2)CC1 ZINC000071161856 176046592 /nfs/dbraw/zinc/04/65/92/176046592.db2.gz UBYOOEPWPAMBJI-ZBFHGGJFSA-N 2 0 265.445 2.064 10 0 CEAERP Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000071187912 176061320 /nfs/dbraw/zinc/06/13/20/176061320.db2.gz JQYAHXUVHKKJRQ-ZMSDIMECSA-N 2 0 275.440 2.267 10 0 CEAERP Cc1ccccc1[C@H]([C@@H](C)[NH3+])N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071187947 176061664 /nfs/dbraw/zinc/06/16/64/176061664.db2.gz GRDVPNYWUIRVSP-INMHGKMJSA-N 2 0 275.440 2.267 10 0 CEAERP CCC[C@@H]1CC[C@@H](O)[C@H]([N@H+](C)C[C@@H]2CC[NH+](C)C2)C1 ZINC000071190581 176066347 /nfs/dbraw/zinc/06/63/47/176066347.db2.gz DBCAKVYFWDOSGU-KLHDSHLOSA-N 2 0 268.445 2.200 10 0 CEAERP CCCC1(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)CC[NH2+]CC1 ZINC000071190948 176067883 /nfs/dbraw/zinc/06/78/83/176067883.db2.gz IMOZPMYKEOZMDY-OAHLLOKOSA-N 3 0 267.461 2.040 10 0 CEAERP CC[NH2+]CC1(CN(C)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC000071191453 176069162 /nfs/dbraw/zinc/06/91/62/176069162.db2.gz VAIXUOILZOIQON-INIZCTEOSA-N 2 0 281.488 2.430 10 0 CEAERP CCC[NH2+][C@@H]1CCCC[C@@H]1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191398 176070103 /nfs/dbraw/zinc/07/01/03/176070103.db2.gz OYVKOTMVUPMOHS-BRWVUGGUSA-N 2 0 281.488 2.428 10 0 CEAERP CCC[NH2+]Cc1occc1CN(C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191894 176072520 /nfs/dbraw/zinc/07/25/20/176072520.db2.gz BFXVOCBNAOFZET-CQSZACIVSA-N 2 0 279.428 2.163 10 0 CEAERP Cc1oc(C[NH2+]C(C)C)cc1CN(C)C[C@H]1CC[N@H+](C)C1 ZINC000071192075 176073552 /nfs/dbraw/zinc/07/35/52/176073552.db2.gz RCUKHEOMODACEU-HNNXBMFYSA-N 2 0 293.455 2.470 10 0 CEAERP C[C@H]1CCC[C@H]([NH2+]CCN(C)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000071192375 176073656 /nfs/dbraw/zinc/07/36/56/176073656.db2.gz CZHOQXJZHIEZOF-XHSDSOJGSA-N 2 0 267.461 2.038 10 0 CEAERP C[C@H]([NH3+])c1cccc(NC(=O)N(C)C[C@H]2CC[N@H+](C)C2)c1 ZINC000071193053 176075117 /nfs/dbraw/zinc/07/51/17/176075117.db2.gz HARFSWIEIGLOKR-STQMWFEESA-N 2 0 290.411 2.122 10 0 CEAERP CC(C)[NH2+]CCCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000071290081 176110291 /nfs/dbraw/zinc/11/02/91/176110291.db2.gz GAWUVQZWXBEQGE-HNNXBMFYSA-N 2 0 255.450 2.181 10 0 CEAERP C[N@H+](CCCCCC[NH2+]C1CC1)C[C@H]1CCCO1 ZINC000071289121 176110779 /nfs/dbraw/zinc/11/07/79/176110779.db2.gz DPMIRNGJRGRLLB-OAHLLOKOSA-N 2 0 254.418 2.410 10 0 CEAERP CCC[NH2+]CCCCCC[NH+](CCOC)CCOC ZINC000071289703 176110807 /nfs/dbraw/zinc/11/08/07/176110807.db2.gz XVPUTNBQIMDALK-UHFFFAOYSA-N 2 0 274.449 2.141 10 0 CEAERP CCOC(=O)CCCCC[NH2+]CC1CC[NH+](CC)CC1 ZINC000071293928 176111519 /nfs/dbraw/zinc/11/15/19/176111519.db2.gz ZOVHJEIZHPRXAA-UHFFFAOYSA-N 2 0 284.444 2.431 10 0 CEAERP C[N@H+](CCNCC[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC000071377261 176141917 /nfs/dbraw/zinc/14/19/17/176141917.db2.gz MZDNALZJDOHCBZ-INIZCTEOSA-N 2 0 267.461 2.325 10 0 CEAERP C[NH2+][C@H]1CCC(C)(C)C[C@H]1N1CC[NH+](C(C)C)CC1 ZINC000079622130 177528264 /nfs/dbraw/zinc/52/82/64/177528264.db2.gz SVBPDURMVOQKRQ-LSDHHAIUSA-N 2 0 267.461 2.179 10 0 CEAERP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CCC1 ZINC000324960264 280602700 /nfs/dbraw/zinc/60/27/00/280602700.db2.gz JXKMYLQAHMKDCR-CABCVRRESA-N 2 0 254.418 2.002 10 0 CEAERP CC(C)C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000053012181 519744735 /nfs/dbraw/zinc/74/47/35/519744735.db2.gz SYOOLLVDHBRCLG-HNNXBMFYSA-N 2 0 261.413 2.192 10 0 CEAERP CC[NH2+]Cc1sc(N2CC[NH+](C(C)C)CC2)nc1CC ZINC000054997439 520032670 /nfs/dbraw/zinc/03/26/70/520032670.db2.gz NDBITPBBAIFSIR-UHFFFAOYSA-N 2 0 296.484 2.345 10 0 CEAERP CCC[C@@H](CN1CC[NH+]([C@@H](C)CC)CC1)[NH2+]CC ZINC000055065007 520704176 /nfs/dbraw/zinc/70/41/76/520704176.db2.gz KAEXALFUDBNREW-GJZGRUSLSA-N 2 0 255.450 2.181 10 0 CEAERP C[NH2+]C[C@@H]1CC[C@H](C[N@H+](Cc2cccs2)C2CC2)O1 ZINC000052370729 522059131 /nfs/dbraw/zinc/05/91/31/522059131.db2.gz PQVZXGFDDZNOSE-UONOGXRCSA-N 2 0 280.437 2.480 10 0 CEAERP C[NH2+]Cc1cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)on1 ZINC000052513704 522103828 /nfs/dbraw/zinc/10/38/28/522103828.db2.gz WYWJVPSYPBMEEI-YPMHNXCESA-N 2 0 251.374 2.405 10 0 CEAERP C[NH2+]Cc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000052453540 522116271 /nfs/dbraw/zinc/11/62/71/522116271.db2.gz WFFONAIYEKPQBY-AWEZNQCLSA-N 2 0 250.411 2.343 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](CC)C[NH2+]C(C)C)CC1 ZINC000055074608 522128088 /nfs/dbraw/zinc/12/80/88/522128088.db2.gz DJOZEROGHLKLMY-CABCVRRESA-N 2 0 255.450 2.179 10 0 CEAERP CC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000055075228 522227075 /nfs/dbraw/zinc/22/70/75/522227075.db2.gz XNNOAZNTWWTDLI-QLFBSQMISA-N 2 0 255.450 2.179 10 0 CEAERP C[C@H](NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400724559 533903133 /nfs/dbraw/zinc/90/31/33/533903133.db2.gz PCZDTKFJDCDELI-RRFJBIMHSA-N 2 0 277.412 2.004 10 0 CEAERP CC(C)(C)[NH+]1CCN(CCC[C@H]2CCCC[NH2+]2)CC1 ZINC000050953242 518711704 /nfs/dbraw/zinc/71/17/04/518711704.db2.gz QRSIBPDITVYRCX-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CC(C)CCC[NH2+]CCN1CC[NH+](CC(C)C)CC1 ZINC000055076061 519641386 /nfs/dbraw/zinc/64/13/86/519641386.db2.gz GRPQNJWMUYFORY-UHFFFAOYSA-N 2 0 269.477 2.286 10 0 CEAERP CC(C)CCC[NH2+]CCN1CCC[C@H]1C[NH+](C)C ZINC000061655213 519641413 /nfs/dbraw/zinc/64/14/13/519641413.db2.gz QNAZWUTTZSMVKS-HNNXBMFYSA-N 2 0 255.450 2.038 10 0 CEAERP CC(C)CC[NH2+]C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061655155 519663240 /nfs/dbraw/zinc/66/32/40/519663240.db2.gz GHADSRHQBAUYTE-HUUCEWRRSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)CC[C@](C)(C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642980 519694817 /nfs/dbraw/zinc/69/48/17/519694817.db2.gz YOBRICREUGSDKU-HUUCEWRRSA-N 2 0 255.450 2.166 10 0 CEAERP CC(C)[NH2+]C[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061819196 519724688 /nfs/dbraw/zinc/72/46/88/519724688.db2.gz KWOULGDAMKMXTC-HNNXBMFYSA-N 2 0 268.445 2.392 10 0 CEAERP CC(C)C[NH+]1CCN(CCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000055083651 519725987 /nfs/dbraw/zinc/72/59/87/519725987.db2.gz JKHPJOHADMZHHQ-INIZCTEOSA-N 2 0 267.461 2.040 10 0 CEAERP CC(C)C[NH+]1CCN([C@@H](C)CC[NH2+]C(C)C)CC1 ZINC000055083097 519727416 /nfs/dbraw/zinc/72/74/16/519727416.db2.gz VYERBQLITLNUOV-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CC(C)C[NH+]1CCN([C@H](C)CC[NH2+]C(C)(C)C)CC1 ZINC000055083109 519727979 /nfs/dbraw/zinc/72/79/79/519727979.db2.gz MJYISQDGFBYDII-OAHLLOKOSA-N 2 0 269.477 2.427 10 0 CEAERP CC(C)[NH2+][C@](C)(CCC[NH+]1Cc2ccccc2C1)C(N)=O ZINC000050912276 519739281 /nfs/dbraw/zinc/73/92/81/519739281.db2.gz JHEZLRULEXUFPY-QGZVFWFLSA-N 2 0 289.423 2.024 10 0 CEAERP CC(C)C[NH2+]C[C@@H](OCC[NH+]1CCCC1)C(C)C ZINC000052670026 519744863 /nfs/dbraw/zinc/74/48/63/519744863.db2.gz DEYNSGDVCQTHFE-OAHLLOKOSA-N 2 0 256.434 2.369 10 0 CEAERP CC(C)C[C@@H](C[NH+](C)C)NCC[C@H]1CCCC[N@@H+]1C ZINC000052206057 519775614 /nfs/dbraw/zinc/77/56/14/519775614.db2.gz PVXWKZBFROIWRC-JKSUJKDBSA-N 2 0 269.477 2.427 10 0 CEAERP CCC[NH+]1CCN([C@H]2C[C@@H](C(C)C)CC[C@@H]2[NH2+]C)CC1 ZINC000054554503 519860060 /nfs/dbraw/zinc/86/00/60/519860060.db2.gz GEFBLLIYWBRGMO-ULQDDVLXSA-N 2 0 281.488 2.427 10 0 CEAERP CCC[NH+]1CCN(c2nc3c(s2)[C@H]([NH3+])CCC3)CC1 ZINC000054863936 519860863 /nfs/dbraw/zinc/86/08/63/519860863.db2.gz BGZNYEMOZJIVQG-LLVKDONJSA-N 2 0 280.441 2.011 10 0 CEAERP CCC[NH2+]CCCCCN1CC[NH+](CCC)CC1 ZINC000052421992 519912332 /nfs/dbraw/zinc/91/23/32/519912332.db2.gz AOIRPUKCDYWQBA-UHFFFAOYSA-N 2 0 255.450 2.184 10 0 CEAERP CCC[NH2+]CCC[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515388 519913457 /nfs/dbraw/zinc/91/34/57/519913457.db2.gz NDJMXPJOTAPFRP-OAHLLOKOSA-N 3 0 269.477 2.428 10 0 CEAERP CCC[NH2+]Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccn1 ZINC000061654173 519947729 /nfs/dbraw/zinc/94/77/29/519947729.db2.gz LECQXHLXYLDKJC-MRXNPFEDSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]C[C@@H]1CCN(CC[NH+](C(C)C)C(C)C)C1 ZINC000053010855 519950560 /nfs/dbraw/zinc/95/05/60/519950560.db2.gz WDEGJLATPISKDA-HNNXBMFYSA-N 2 0 255.450 2.037 10 0 CEAERP CCC[NH2+]Cc1sc(N2CCC[C@@H]2C[NH+](C)C)nc1C ZINC000061655589 519974839 /nfs/dbraw/zinc/97/48/39/519974839.db2.gz VJUIOCMKEZCZNR-CYBMUJFWSA-N 2 0 296.484 2.482 10 0 CEAERP CC[NH2+]C[C@H](c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000052372536 519975424 /nfs/dbraw/zinc/97/54/24/519975424.db2.gz QNPPVVKUBPSURW-GOSISDBHSA-N 2 0 287.451 2.365 10 0 CEAERP CC[NH2+]C[C@](C)(C[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000051254958 519983446 /nfs/dbraw/zinc/98/34/46/519983446.db2.gz WQWZAOHBVFLNCO-IAGOWNOFSA-N 2 0 276.424 2.011 10 0 CEAERP CC[NH2+]Cc1cc(N2CC[NH+]([C@H](C)CC)CC2)ccn1 ZINC000055073301 519993648 /nfs/dbraw/zinc/99/36/48/519993648.db2.gz DTXDHLKJDNYRHV-CQSZACIVSA-N 2 0 276.428 2.112 10 0 CEAERP CC[NH2+]Cc1ccc(C[N@H+](CC)[C@H](C)COC)o1 ZINC000052504793 519994692 /nfs/dbraw/zinc/99/46/92/519994692.db2.gz RNWAOZREJWQSEP-GFCCVEGCSA-N 2 0 254.374 2.246 10 0 CEAERP CCC[NH2+][C@@H](CN(C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069075594 520005882 /nfs/dbraw/zinc/00/58/82/520005882.db2.gz UQLCZBYOWKMIMP-INIZCTEOSA-N 2 0 267.461 2.038 10 0 CEAERP CC[NH2+]Cc1ccccc1C[N@H+](C)[C@@H](C)COC ZINC000052511943 520006651 /nfs/dbraw/zinc/00/66/51/520006651.db2.gz OHSMZZCDSYCNSJ-ZDUSSCGKSA-N 2 0 250.386 2.263 10 0 CEAERP CC[NH2+]Cc1cnc(N2CCC[C@H]2C[NH+](C)C)c(Cl)c1 ZINC000061654277 520015380 /nfs/dbraw/zinc/01/53/80/520015380.db2.gz LOHCLYHXBIAPOU-ZDUSSCGKSA-N 2 0 296.846 2.375 10 0 CEAERP CC[NH+](CC)CCOc1cc(Cl)ccc1C(N)=[NH2+] ZINC000062789174 520697269 /nfs/dbraw/zinc/69/72/69/520697269.db2.gz DAXNXFNWAMFOBV-UHFFFAOYSA-N 2 0 269.776 2.345 10 0 CEAERP CCC[C@H](CN1CC[NH+](C2CCCC2)CC1)[NH2+]CC ZINC000052061486 521099659 /nfs/dbraw/zinc/09/96/59/521099659.db2.gz YHWMEOKDQWZCEV-OAHLLOKOSA-N 2 0 267.461 2.325 10 0 CEAERP CCCC[C@](CC)(C[NH3+])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000069381081 521255625 /nfs/dbraw/zinc/25/56/25/521255625.db2.gz PHUNAONJWLGZEF-JKSUJKDBSA-N 2 0 267.461 2.454 10 0 CEAERP CCOc1ccccc1[C@@H](C[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061643101 521577299 /nfs/dbraw/zinc/57/72/99/521577299.db2.gz CQOLPAQUOFNNKW-GDBMZVCRSA-N 2 0 291.439 2.111 10 0 CEAERP CCC(CC)[C@@H](C[NH3+])N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062978614 521603315 /nfs/dbraw/zinc/60/33/15/521603315.db2.gz BGPFEBMXFVMPNT-JKSUJKDBSA-N 2 0 267.461 2.310 10 0 CEAERP CC[N@@H+]1CCC[C@@H]([C@@H](C)N[C@@H](C)C[NH+]2CCCC2)C1 ZINC000049150109 521626754 /nfs/dbraw/zinc/62/67/54/521626754.db2.gz WPGJYKOHHMZZFL-ARFHVFGLSA-N 2 0 267.461 2.181 10 0 CEAERP CCOC1CC[NH+](Cc2cc(C[NH3+])c(C)o2)CC1 ZINC000052484005 521655796 /nfs/dbraw/zinc/65/57/96/521655796.db2.gz KMVZDDUIQWTOKP-UHFFFAOYSA-N 2 0 252.358 2.048 10 0 CEAERP CCCN(CC[NH+](C)C)c1ccccc1C[NH2+]CCOC ZINC000062738017 521658522 /nfs/dbraw/zinc/65/85/22/521658522.db2.gz UVCHMRCHNDULMJ-UHFFFAOYSA-N 2 0 293.455 2.201 10 0 CEAERP C[NH+](C)C[C@@H]1CCCN1[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000061642180 521843767 /nfs/dbraw/zinc/84/37/67/521843767.db2.gz RIVKFNNFSOSYSB-GJZGRUSLSA-N 2 0 281.831 2.366 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1CC1(C[NH2+]C2CC2)CCCC1 ZINC000061653509 521866984 /nfs/dbraw/zinc/86/69/84/521866984.db2.gz BEHFRYMVXNYPNT-MRXNPFEDSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH+](C)C[C@H]1CCCN1[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000061642011 521871107 /nfs/dbraw/zinc/87/11/07/521871107.db2.gz BHEKJIXVYPQTAO-MNOVXSKESA-N 2 0 287.860 2.427 10 0 CEAERP C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C[NH+]1CCCC1 ZINC000054602498 521952131 /nfs/dbraw/zinc/95/21/31/521952131.db2.gz QNWSCZZEXHAMDG-HNSVSWJLSA-N 2 0 265.445 2.076 10 0 CEAERP C[NH2+]CCC1CC[NH+]([C@H]2CCC[C@H](OC)C2)CC1 ZINC000070337958 521984164 /nfs/dbraw/zinc/98/41/64/521984164.db2.gz WKNQRBNWBHTKRM-GJZGRUSLSA-N 2 0 254.418 2.266 10 0 CEAERP C[NH2+]Cc1cc(F)ccc1N1CCC[C@@H]1C[NH+](C)C ZINC000061646066 522113957 /nfs/dbraw/zinc/11/39/57/522113957.db2.gz MTIHPIKETGHNDD-CQSZACIVSA-N 2 0 265.376 2.076 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(CC[NH2+]Cc2cccs2)CC1 ZINC000055075530 522121877 /nfs/dbraw/zinc/12/18/77/522121877.db2.gz JLLCCNHIPURJTN-CQSZACIVSA-N 2 0 281.469 2.254 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000055083438 522124824 /nfs/dbraw/zinc/12/48/24/522124824.db2.gz BXAYSRFOZCFKGA-QAPCUYQASA-N 2 0 287.451 2.290 10 0 CEAERP CC[C@@H](C)[NH+]1CCN([C@@H](C[NH3+])c2ccc(F)cc2F)CC1 ZINC000055064521 522129500 /nfs/dbraw/zinc/12/95/00/522129500.db2.gz BFONUPIPZHQDOV-WBMJQRKESA-N 2 0 297.393 2.381 10 0 CEAERP CC[C@@H](C)[NH+]1CCN(c2ccc(F)cc2C[NH2+]C)CC1 ZINC000055068740 522133430 /nfs/dbraw/zinc/13/34/30/522133430.db2.gz LJEYGFBOZSYGLZ-CYBMUJFWSA-N 2 0 279.403 2.466 10 0 CEAERP C[NH2+]Cc1ccccc1CN1CC[NH+](C(C)(C)C)CC1 ZINC000052571707 522133750 /nfs/dbraw/zinc/13/37/50/522133750.db2.gz KWCJSQNENLPWOL-UHFFFAOYSA-N 2 0 275.440 2.322 10 0 CEAERP C[NH2+]Cc1oc(C[N@H+](C)[C@H]2CCSC2)cc1C ZINC000052453724 522159763 /nfs/dbraw/zinc/15/97/63/522159763.db2.gz WILHUPBKHCIUNB-NSHDSACASA-N 2 0 254.399 2.245 10 0 CEAERP CC[C@H](C[NH2+]C)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702403 522191027 /nfs/dbraw/zinc/19/10/27/522191027.db2.gz FLTNIKMIJKXCOU-HZPDHXFCSA-N 2 0 262.397 2.276 10 0 CEAERP CC[C@H](C[NH2+]CC(C)C)N1CC[NH+](CC2CC2)CC1 ZINC000052372420 522194161 /nfs/dbraw/zinc/19/41/61/522194161.db2.gz FYGRVQPHKDUNTQ-MRXNPFEDSA-N 2 0 267.461 2.038 10 0 CEAERP C[NH2+][C@@H](c1ccccc1)[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000061643404 522372360 /nfs/dbraw/zinc/37/23/60/522372360.db2.gz HLGDMOCEUQNVMR-USXIJHARSA-N 2 0 275.440 2.362 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@@H]1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000062970574 522489461 /nfs/dbraw/zinc/48/94/61/522489461.db2.gz UTTIBMOASCLUSL-IKGGRYGDSA-N 2 0 279.472 2.325 10 0 CEAERP C[NH2+][C@H]1CCCCC[C@H]1CN1CC[NH+](CC(C)C)CC1 ZINC000055082046 522490867 /nfs/dbraw/zinc/49/08/67/522490867.db2.gz BEVCWHSXKFPEJC-IRXDYDNUSA-N 2 0 281.488 2.428 10 0 CEAERP CC[C@@H](C[NH2+]CC(C)C)N1CCC(C[NH+](C)C)CC1 ZINC000052515240 522547805 /nfs/dbraw/zinc/54/78/05/522547805.db2.gz PETXEGOVBAJIKY-INIZCTEOSA-N 2 0 269.477 2.284 10 0 CEAERP CC[C@@H]([NH3+])[C@@H](c1ccccc1C)N1CC[C@H]([NH+](C)C)C1 ZINC000062964018 522649785 /nfs/dbraw/zinc/64/97/85/522649785.db2.gz NSQVKOCOYVSLQK-USXIJHARSA-N 2 0 275.440 2.409 10 0 CEAERP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CNCc2ccccc21 ZINC000069267512 522659428 /nfs/dbraw/zinc/65/94/28/522659428.db2.gz YFFBAQUOERTWIJ-KRWDZBQOSA-N 2 0 273.424 2.105 10 0 CEAERP COC1CC[NH+](C[C@@H]2C[C@H](C(C)C)CC[C@@H]2[NH3+])CC1 ZINC000054559809 522705348 /nfs/dbraw/zinc/70/53/48/522705348.db2.gz IVLUPVDLFRJXSM-YCPHGPKFSA-N 2 0 268.445 2.497 10 0 CEAERP COC1CC[NH+](Cc2cc(C[NH2+]C(C)(C)C)no2)CC1 ZINC000052455263 522705960 /nfs/dbraw/zinc/70/59/60/522705960.db2.gz ALMBCMDORWJWQK-UHFFFAOYSA-N 2 0 281.400 2.174 10 0 CEAERP CC[C@H]([C@H]([NH3+])c1ccccc1)N1CCC[C@@H]1C[NH+](C)C ZINC000061643464 522931287 /nfs/dbraw/zinc/93/12/87/522931287.db2.gz HIVDPBNUTJSOBG-BRWVUGGUSA-N 2 0 275.440 2.491 10 0 CEAERP COCC1CC[NH+](C[C@@H]2CC[C@H](C[NH2+]C(C)(C)C)O2)CC1 ZINC000070082936 522935242 /nfs/dbraw/zinc/93/52/42/522935242.db2.gz MBDWICUQGWZWGF-CVEARBPZSA-N 2 0 298.471 2.281 10 0 CEAERP C[N@H+](C[C@H]1CC[C@@H](C[NH2+]C(C)(C)C)O1)[C@@H]1CCSC1 ZINC000052453599 523146640 /nfs/dbraw/zinc/14/66/40/523146640.db2.gz CVFIVNBYAVCOOO-HZSPNIEDSA-N 2 0 286.485 2.359 10 0 CEAERP COCC[N@H+](C)Cc1cc(C[NH2+]CC(C)C)c(C)o1 ZINC000052572810 523618781 /nfs/dbraw/zinc/61/87/81/523618781.db2.gz HTQXBHSHRDHTST-UHFFFAOYSA-N 2 0 268.401 2.412 10 0 CEAERP CC[C@@](C)(C[NH2+]C1CC1)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052763327 523639689 /nfs/dbraw/zinc/63/96/89/523639689.db2.gz ONUXQYXEEXGNNX-CVEARBPZSA-N 2 0 268.445 2.392 10 0 CEAERP CC[C@@]1(C(=O)NCCCC[N@H+](C)C(C)C)CCC[NH2+]C1 ZINC000062860559 523694021 /nfs/dbraw/zinc/69/40/21/523694021.db2.gz BRMFAZUMJQLTEM-MRXNPFEDSA-N 2 0 283.460 2.003 10 0 CEAERP COCC[N@H+](Cc1occc1C[NH2+]C(C)C)[C@H](C)COC ZINC000052572319 523778703 /nfs/dbraw/zinc/77/87/03/523778703.db2.gz KYXIEWIZIFAMBR-CQSZACIVSA-N 2 0 298.427 2.261 10 0 CEAERP C[NH+]1CCC(Oc2ccc(C[NH3+])cc2Cl)CC1 ZINC000062793337 523783163 /nfs/dbraw/zinc/78/31/63/523783163.db2.gz CJBVSTUXMBBCRQ-UHFFFAOYSA-N 2 0 254.761 2.272 10 0 CEAERP CC[C@H](C)[N@H+](CCOC)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052183564 523939155 /nfs/dbraw/zinc/93/91/55/523939155.db2.gz LXMOCCPMNQMHLU-HNNXBMFYSA-N 2 0 298.471 2.282 10 0 CEAERP COc1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CC3)C2)cc1 ZINC000053011054 523951077 /nfs/dbraw/zinc/95/10/77/523951077.db2.gz WZMJMAMMKZDXDA-HNNXBMFYSA-N 2 0 274.408 2.312 10 0 CEAERP C[NH+](C)C1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022913 524041212 /nfs/dbraw/zinc/04/12/12/524041212.db2.gz NMDFVJSJEXHSMH-OAHLLOKOSA-N 2 0 274.412 2.080 10 0 CEAERP C[C@H](CCC[NH2+]C1CC1)[N@H+](C)CCc1ccncc1 ZINC000052483126 524142820 /nfs/dbraw/zinc/14/28/20/524142820.db2.gz RYZMAFNNLURYNJ-CQSZACIVSA-N 2 0 261.413 2.477 10 0 CEAERP C[C@@H]1CCC[C@](C[NH3+])(N2CC[C@H]([NH+]3CCCC3)C2)[C@@H]1C ZINC000068629872 524429235 /nfs/dbraw/zinc/42/92/35/524429235.db2.gz BUBKGUNDSUYVMO-WCXIOVBPSA-N 2 0 279.472 2.310 10 0 CEAERP COc1ccccc1[C@H]([C@H](C)[NH3+])N1CCC[C@@H]1C[NH+](C)C ZINC000061642142 524799699 /nfs/dbraw/zinc/79/96/99/524799699.db2.gz JSRRIMQRBUZUFZ-VBQJREDUSA-N 2 0 291.439 2.110 10 0 CEAERP C[C@H]([NH3+])c1ccc(F)cc1OCC[NH+]1CCCC1 ZINC000062745338 524865571 /nfs/dbraw/zinc/86/55/71/524865571.db2.gz ZFTGFDMFTOBQSP-NSHDSACASA-N 2 0 252.333 2.320 10 0 CEAERP C[C@@H]([NH3+])c1cccc(NC(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049562074 525029905 /nfs/dbraw/zinc/02/99/05/525029905.db2.gz BXAFIOGCJXEUQG-VXGBXAGGSA-N 2 0 278.400 2.168 10 0 CEAERP COc1ccc([C@@H](C[NH3+])N(C)CC[NH+]2CCCC2)cc1C ZINC000063051156 525178908 /nfs/dbraw/zinc/17/89/08/525178908.db2.gz HLQSXHRRRNHREE-MRXNPFEDSA-N 2 0 291.439 2.031 10 0 CEAERP Cc1ccccc1[C@H]([C@H](C)[NH3+])N1CC[C@H]([NH+](C)C)C1 ZINC000062964016 525434022 /nfs/dbraw/zinc/43/40/22/525434022.db2.gz IIAXFNFOWRSLTO-DZKIICNBSA-N 2 0 261.413 2.019 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@]1(C[NH3+])N1CC[NH+](CC2CC2)CC1 ZINC000068628179 525646969 /nfs/dbraw/zinc/64/69/69/525646969.db2.gz AYGCGLVDEONFFY-UXLLHSPISA-N 2 0 279.472 2.168 10 0 CEAERP C[C@@H]1[C@@H](C)CCC[C@@]1(CN)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000068630049 525646995 /nfs/dbraw/zinc/64/69/95/525646995.db2.gz XTKVHMHPSHCBLD-UXLLHSPISA-N 2 0 281.488 2.414 10 0 CEAERP Cc1ccc([C@@H](C[NH3+])N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000061642033 525756747 /nfs/dbraw/zinc/75/67/47/525756747.db2.gz CMHABELPYZJDAR-HZPDHXFCSA-N 2 0 261.413 2.021 10 0 CEAERP Cc1ccc(C(N)=[NH2+])c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000055079657 526013086 /nfs/dbraw/zinc/01/30/86/526013086.db2.gz LHYOZROPXHECNF-UHFFFAOYSA-N 2 0 274.412 2.057 10 0 CEAERP C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C1CC[NH+](C)CC1 ZINC000053344205 526258210 /nfs/dbraw/zinc/25/82/10/526258210.db2.gz NTSRSBCECLZRJC-HOCLYGCPSA-N 2 0 267.461 2.181 10 0 CEAERP Cc1[nH+]c2cc(N)ccc2n1CC1CC[NH+](C)CC1 ZINC000052855098 527121668 /nfs/dbraw/zinc/12/16/68/527121668.db2.gz JNDVMUMNECFESN-UHFFFAOYSA-N 2 0 258.369 2.269 10 0 CEAERP [NH3+][C@@H]1CCCCC[C@@H]1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979413 527341914 /nfs/dbraw/zinc/34/19/14/527341914.db2.gz JXIZQTPHUWCSQK-XHSDSOJGSA-N 2 0 265.445 2.207 10 0 CEAERP CC(C)C[C@H](C[NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000094701121 535305290 /nfs/dbraw/zinc/30/52/90/535305290.db2.gz SVRSPKGBRGOLCC-MRXNPFEDSA-N 2 0 275.440 2.430 10 0 CEAERP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CC1(CC1)C1(CCC1)O2 ZINC000757138713 574510127 /nfs/dbraw/zinc/51/01/27/574510127.db2.gz DJHZODMSYSFTAL-OAHLLOKOSA-N 2 0 250.386 2.121 10 0 CEAERP CC(C)C[NH+]1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757150278 574510745 /nfs/dbraw/zinc/51/07/45/574510745.db2.gz PJYMONMLMRBNNF-AWEZNQCLSA-N 2 0 254.418 2.327 10 0 CEAERP CC[NH+]1CCC([NH2+]C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 ZINC000309868692 625338440 /nfs/dbraw/zinc/33/84/40/625338440.db2.gz PBHVCJKVBCEERB-CYBMUJFWSA-N 2 0 299.459 2.316 10 0 CEAERP Cc1cc[nH+]c(NC[C@H]2CCN(c3nc(N)cc(C)[nH+]3)C2)c1 ZINC000892219382 624428436 /nfs/dbraw/zinc/42/84/36/624428436.db2.gz OQFQENQALVYLPV-CYBMUJFWSA-N 2 0 298.394 2.009 10 0 CEAERP C[N@H+](C[C@@H](O)CC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000226467017 639547898 /nfs/dbraw/zinc/54/78/98/639547898.db2.gz KKDYUAJYBYXIIV-CABCVRRESA-N 2 0 254.418 2.002 10 0 CEAERP